A0A087XWT4_POEFO Loading...

Kinesin-like protein

Microtubule-based anterograde translocator for membranous organelles. Plus end-directed microtubule sliding activity in vitro. Plays a role in primary cilia formation. Plays a role in centriole cohesion and subdistal appendage organization and function. Regulates the formation of the subdistal appendage via recruitment of DCTN1 to the centriole. Also required for ciliary basal feet formation and microtubule anchoring to mother centriole.

AlphaFold DB , UniProt , Accession A0A087XWT4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 701 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.6Very low34.5Very low232 Ų232151.3 Ų151.3100%1.14384%0.839SS**  0112.30-64.1-58-165.500107.6
2P32.1Very low36.1Very low131 Ų131144.2 Ų144.285%0.85181%0.807SS**  trans-70.2133.5172.829.8-31.7000109.4S4P2-S4 PolarHBondContact O-N 3.33Å
3S32.8Very low38.8Very low116 Ų116137.2 Ų137.281%0.81177%0.767SS**  trans-64.6116176.6-178.50000109.8K5S3-K5 PolarHBondContact O-N 3Å
4S32Very low42.3Very low108 Ų108131.5 Ų131.576%0.75573%0.734SS**  trans-66.9111.3171.951.80000109P2 A6P2-S4 PolarHBondContact O-N 3.33Å; S4-A6 PolarHBondContact O-N 3.49Å
5K34.8Very low45.6Very low196 Ų196122.7 Ų122.785%0.85269%0.685SS**  trans-54.5125.7167.2-71.6-179.1175.8-179.80108.1S3 E7S3-K5 PolarHBondContact O-N 3Å; K5-E7 PolarHBondContact O-N 2.83Å; K5-E7 VanDerWaalsContact O-N 3.13Å
6A32.9Very low48.7Very low98 Ų98121.6 Ų121.681%0.8167%0.671SS**  trans-66.7110.8169.300000108.1S4 K8S4-A6 PolarHBondContact O-N 3.49Å; A6-K8 PolarHBondContact O-N 2.87Å
7E30.8Very low51.5Low185 Ų185114.4 Ų114.486%0.86463%0.631SS**PPolyproline II helixtrans-61.7128.9169-68.8176.715100108.1K5K5-E7 PolarHBondContact O-N 2.83Å; K5-E7 VanDerWaalsContact O-N 3.13Å
8K30.5Very low54Low160 Ų160108.3 Ų108.370%0.69660%0.598SS**PPolyproline II helixtrans-57136.7168.2-69.2176.3-178.2170.70106.8A6 E10 E369A6-K8 PolarHBondContact O-N 2.87Å; K8-E10 PolarHBondContact O-N 2.59Å; K8-E10 VanDerWaalsContact O-N 3.13Å; K8-E369 IonicContact NZ-OE1 3.69Å; K8-E369 PolarHBondContact NZ-OE1 3.08Å
9P32.6Very low56.3Low118 Ų118102.6 Ų102.677%0.76657%0.566SS**PPolyproline II helixtrans-59.1122.9179.424.4-33.2000109.5V11P9-V11 PolarHBondContact O-N 2.97Å; P9-V11 VanDerWaalsContact O-N 3.11Å
10E39Very low58.4Low189 Ų18998.3 Ų98.388%0.88354%0.541SS*.PPolyproline II helixtrans-56.4118.7167-73.8-167.8144.200107.9K8 S12K8-E10 PolarHBondContact O-N 2.59Å; K8-E10 VanDerWaalsContact O-N 3.13Å; E10-S12 VanDerWaalsContact C-N 3.3Å; E10-S12 PolarHBondContact O-N 2.64Å
11V47.8Very low60.3Low131 Ų13193.8 Ų93.879%0.79452%0.516SS*.  trans-6994.5172.5179.90000106.7P9 D13P9-V11 PolarHBondContact O-N 2.97Å; P9-V11 VanDerWaalsContact O-N 3.11Å; V11-D13 PolarHBondContact O-N 3.39Å; V11-D13 VanDerWaalsContact O-N 3.14Å
12S53.3Low63.2Low66 Ų6684.7 Ų84.746%0.46247%0.469SS..  trans-69.6113.4178.267.30000109E10 N14E10-S12 VanDerWaalsContact C-N 3.3Å; E10-S12 PolarHBondContact O-N 2.64Å; S12-N14 PolarHBondContact O-N 3.32Å; S12-N14 PolarHBondContact OG-OD1 2.86Å
13D71.9Confident66.2Low53 Ų5381.7 Ų81.728%0.28345%0.45SS..  trans-68.768.5172.5-80.6-36.9000110.2V11 N347V11-D13 PolarHBondContact O-N 3.39Å; V11-D13 VanDerWaalsContact O-N 3.14Å; D13-N347 WeakPolarHBondContact O-CA 3.39Å; D13-N347 VanDerWaalsContact O-CB 3.32Å; D13-N347 WeakPolarHBondContact O-CB 3.2Å; D13-N347 PolarHBondContact O-N 3.18Å
14N87.3Confident69Low58 Ų5878 Ų7831%0.3142%0.421SS..BIsolated β-bridgetrans-68.5151.3170.9-62.9-9.8000109.4S12 K16 I345 K346S12-N14 PolarHBondContact O-N 3.32Å; S12-N14 PolarHBondContact OG-OD1 2.86Å; N14-K16 PolarHBondContact O-N 2.84Å; N14-K16 VanDerWaalsContact O-N 3.08Å; N14-I345 CarbonylContact C-O 3.57Å; N14-I345 VanDerWaalsContact CA-O 3.23Å; N14-I345 WeakPolarHBondContact CA-O 3.44Å; N14-K346 WeakPolarHBondContact OD1-CG 3.2Å
15V92.5Very high71.8Confident0 Ų075.5 Ų75.50%040%0.399CS..PPolyproline II helixtrans-59.7116.3171.4173.60000108.7V17 T316 M318 I345V15-V17 HydrophobicContact CG1-CG2 4.41Å; V15-T316 WeakPolarHBondContact CA-O 3.44Å; V15-T316 HydrophobicContact CG1-CG2 4.16Å; V15-T316 HydrophobicContact CG2-CG2 4.36Å; V15-M318 HydrophobicContact CG1-CB 4.49Å; V15-I345 HydrophobicContact CB-CB 4.26Å; V15-I345 HydrophobicContact CG2-CB 3.73Å; V15-I345 HydrophobicContact CG2-CD1 4.36Å; V15-I345 HydrophobicContact CG2-CG2 3.8Å; V15-I345 PolarHBondContact N-O 3.23Å
16K94.7Very high74.5Confident104 Ų10473.9 Ų73.945%0.45239%0.394SS..EExtended strand (participates in β ladder)trans-72.1131.6177.2-68.4-176.2179.4178.30109.2N14 T316 M317 M318N14-K16 PolarHBondContact O-N 2.84Å; N14-K16 VanDerWaalsContact O-N 3.08Å; K16-T316 PolarHBondContact N-O 2.91Å; K16-M317 HydrophobicContact CB-CB 4.43Å; K16-M317 HydrophobicContact CB-CG 4.33Å; K16-M317 CarbonylContact O-C 3.53Å; K16-M317 VanDerWaalsContact O-CA 3.29Å; K16-M317 WeakPolarHBondContact O-CA 3.4Å; K16-M318 PolarHBondContact O-N 3.43Å
17V96.1Very high77.1Confident0 Ų076.8 Ų76.80%039%0.389CS..EExtended strand (participates in β ladder)trans-120.2120.1-179.2179.50000109.6V15 F63 D64 M318 A339 A342 K343V15-V17 HydrophobicContact CG1-CG2 4.41Å; V17-F63 HydrophobicContact CB-CD1 4.27Å; V17-F63 HydrophobicContact CG1-CD1 3.55Å; V17-F63 HydrophobicContact CG1-CE1 4.01Å; V17-D64 PolarHBondContact N-OD2 2.82Å; V17-D64 PolarHBondContact O-N 2.99Å; V17-M318 HydrophobicContact CG2-CB 4.31Å; V17-A339 HydrophobicContact CG1-CB 3.7Å; V17-A342 HydrophobicContact CG2-CB 4.09Å; V17-K343 HydrophobicContact CB-CB 4.22Å; V17-K343 HydrophobicContact CB-CG 4.44Å; V17-K343 HydrophobicContact CG2-CB 3.78Å; V17-K343 HydrophobicContact CG2-CG 4.35Å
18V96.9Very high80.1Confident4 Ų468.4 Ų68.42%0.02435%0.35CS..EExtended strand (participates in β ladder)trans-118.8144.7175.9-52.60000109.5T65 F67 T80 M317 M318 C319 A320V18-T65 VanDerWaalsContact CA-O 3.25Å; V18-T65 WeakPolarHBondContact CA-O 3.29Å; V18-F67 HydrophobicContact CB-CE2 4.19Å; V18-F67 HydrophobicContact CG2-CE2 4.48Å; V18-T80 HydrophobicContact CB-CG2 4.18Å; V18-T80 HydrophobicContact CG1-CG2 3.76Å; V18-T80 HydrophobicContact CG2-CG2 4.05Å; V18-M317 HydrophobicContact CG2-CG 4.49Å; V18-M317 HydrophobicContact CG2-SD 3.71Å; V18-M318 PolarHBondContact N-O 3.2Å; V18-C319 HydrophobicContact CG2-CB 3.99Å; V18-C319 CarbonylContact O-C 3.58Å; V18-C319 WeakPolarHBondContact O-CA 3.32Å; V18-A320 PolarHBondContact O-N 3.48Å
19V98.1Very high83Confident0 Ų067.2 Ų67.20%035%0.345CS..EExtended strand (participates in β ladder)trans-124.6133.9-177.8-170.40000110.2I46 F63 T65 V66 F67 A320 I322 L336V19-I46 HydrophobicContact CB-CD1 3.45Å; V19-I46 VanDerWaalsContact CB-CD1 3.45Å; V19-I46 HydrophobicContact CG1-CD1 3.25Å; V19-I46 HydrophobicContact CG2-CD1 4.26Å; V19-F63 HydrophobicContact CB-CD2 4.26Å; V19-F63 HydrophobicContact CG2-CB 4.1Å; V19-F63 HydrophobicContact CG2-CD1 3.7Å; V19-F63 HydrophobicContact CG2-CD2 3.37Å; V19-F63 HydrophobicContact CG2-CE1 3.91Å; V19-F63 HydrophobicContact CG2-CE2 3.58Å; V19-F63 HydrophobicContact CG2-CG 3.42Å; V19-F63 VanDerWaalsContact CG2-CG 3.42Å; V19-F63 HydrophobicContact CG2-CZ 3.85Å; V19-T65 PolarHBondContact N-O 3.3Å; V19-T65 VanDerWaalsContact N-O 3.07Å; V19-V66 HydrophobicContact CB-CG1 4.46Å; V19-V66 CarbonylContact O-C 3.56Å; V19-V66 WeakPolarHBondContact O-CA 3.2Å; V19-F67 PolarHBondContact O-N 3.44Å; V19-A320 CarbonylContact C-O 3.55Å; V19-A320 WeakPolarHBondContact CA-O 3.36Å; V19-A320 HydrophobicContact CB-CB 4.48Å; V19-A320 HydrophobicContact CG1-CB 4.21Å; V19-A320 WeakPolarHBondContact CG1-O 3.36Å; V19-A320 HydrophobicContact CG2-CB 4.09Å; V19-I322 HydrophobicContact CG1-CD1 4.02Å; V19-I322 HydrophobicContact CG1-CG1 4.21Å; V19-I322 HydrophobicContact CG1-CG2 4.35Å; V19-L336 HydrophobicContact CG1-CD2 3.83Å; V19-L336 HydrophobicContact CG2-CD2 4.38Å
20R97.9Very high85.9Confident17 Ų1769.4 Ų69.46%0.06435%0.347CS..EExtended strand (participates in β ladder)trans-124.5116.4-177.8-173.5177.4-166.6-173.612.5111.2F67 S71 Q73 T109 A320 N321 I322R20-F67 HydrophobicContact CB-CB 4.18Å; R20-F67 HydrophobicContact CG-CB 3.94Å; R20-S71 PolarHBondContact NH2-O 2.95Å; R20-Q73 VanDerWaalsContact CZ-OE1 3.23Å; R20-T109 PolarHBondContact NH1-OG1 2.8Å; R20-A320 PolarHBondContact N-O 3.5Å; R20-N321 WeakPolarHBondContact O-CA 3.32Å; R20-I322 PolarHBondContact O-N 2.79Å
21C97.6Very high88.4Confident3 Ų366.2 Ų66.22%0.0233%0.333CS..EExtended strand (participates in β ladder)trans-94.9118.3173.1-166.30000109.7V39 F67 G68 P69 I322C21-V39 HydrophobicContact CB-CG2 3.82Å; C21-F67 PolarHBondContact N-O 3.49Å; C21-G68 CarbonylContact O-C 3.57Å; C21-G68 VanDerWaalsContact O-C 3.24Å; C21-P69 WeakPolarHBondContact O-CA 3.18Å; C21-I322 HydrophobicContact CB-CD1 4.1Å; C21-I322 HydrophobicContact CB-CG1 3.85Å
22R95.7Very high90.5Very high41 Ų4163.7 Ų63.716%0.15533%0.326CS..PPolyproline II helixtrans-77.6163.1176.264.1154.7175.7723.6112.1N25 E28 G103 T104 I322 P324R22-N25 PolarHBondContact NH2-ND2 3.5Å; R22-N25 VanDerWaalsContact NH2-ND2 3.14Å; R22-E28 IonicContact CZ-OE1 3.05Å; R22-E28 IonicContact CZ-OE2 3.28Å; R22-E28 IonicContact NH1-OE1 3.29Å; R22-E28 PolarHBondContact NH1-OE1 3.35Å; R22-E28 IonicContact NH1-OE2 2.75Å; R22-E28 PolarHBondContact NH1-OE2 3.03Å; R22-E28 IonicContact NH2-OE1 2.95Å; R22-E28 PolarHBondContact NH2-OE1 3.04Å; R22-E28 IonicContact NH2-OE2 2.89Å; R22-E28 PolarHBondContact NH2-OE2 3.23Å; R22-G103 PolarHBondContact NE-O 3.41Å; R22-G103 PolarHBondContact NH2-O 3.32Å; R22-T104 WeakPolarHBondContact CG-O 3.35Å; R22-I322 PolarHBondContact N-O 3.33Å; R22-P324 VanDerWaalsContact O-CD 3.23Å; R22-P324 WeakPolarHBondContact O-CD 3.46Å; R22-P324 VanDerWaalsContact O-CG 3.28Å; R22-P324 WeakPolarHBondContact O-CG 3.47Å
23P94.9Very high92.3Very high69 Ų6963.9 Ų63.945%0.44832%0.317SS..PPolyproline II helixtrans-57.9158.4165.1-2332.4000113.6N25 P69P23-N25 PolarHBondContact O-N 2.99Å; P23-P69 HydrophobicContact CB-CB 4.3Å; P23-P69 WeakPolarHBondContact CD-O 3.23Å; P23-P69 HydrophobicContact CG-CB 3.9Å; P23-P69 VanDerWaalsContact CG-O 3.29Å; P23-P69 WeakPolarHBondContact CG-O 3.15Å
24L92.8Very high93.3Very high38 Ų3867.5 Ų67.520%0.19933%0.33CS..PPolyproline II helixtrans-59125.7167.5-79.3165.9000110.2E28 K29 P35 P324 A325L24-E28 WeakPolarHBondContact CA-OE2 3.38Å; L24-E28 HydrophobicContact CD2-CB 3.9Å; L24-K29 HydrophobicContact CB-CG 4.07Å; L24-K29 WeakPolarHBondContact O-CE 3.07Å; L24-K29 PolarHBondContact O-NZ 3.22Å; L24-P35 HydrophobicContact CD1-CB 4.5Å; L24-P324 HydrophobicContact CB-CG 4.41Å; L24-P324 HydrophobicContact CD2-CG 3.8Å; L24-P324 HydrophobicContact CG-CB 4.49Å; L24-P324 HydrophobicContact CG-CG 3.75Å; L24-A325 HydrophobicContact CD2-CB 3.92Å
25N90.6Very high93.5Very high56 Ų5668.6 Ų68.630%0.29934%0.341SS..PPolyproline II helixtrans-78.7169.3179.97848.1000111.4R22 P23 K27 E28 K29R22-N25 PolarHBondContact NH2-ND2 3.5Å; R22-N25 VanDerWaalsContact NH2-ND2 3.14Å; P23-N25 PolarHBondContact O-N 2.99Å; N25-K27 PolarHBondContact O-N 2.78Å; N25-K27 WeakPolarHBondContact OD1-CA 3.49Å; N25-K27 WeakPolarHBondContact OD1-CB 3.11Å; N25-K27 PolarHBondContact OD1-N 3.31Å; N25-E28 PolarHBondContact N-OE2 3.44Å; N25-E28 PolarHBondContact ND2-OE1 2.96Å; N25-E28 PolarHBondContact ND2-OE2 2.81Å; N25-E28 PolarHBondContact O-N 2.77Å; N25-E28 PolarHBondContact OD1-N 3.47Å; N25-K29 WeakPolarHBondContact O-CG 3.39Å; N25-K29 PolarHBondContact O-N 3.41Å
26Q89.9Confident93.6Very high161 Ų16168.7 Ų68.775%0.75234%0.342SS*.Hα-helixtrans-61.7-40.1-176.6-67.8178.8-2.200113K29 M30Q26-K29 PolarHBondContact O-N 3.31Å; Q26-M30 WeakPolarHBondContact O-CB 3.25Å; Q26-M30 VanDerWaalsContact O-CG 3.25Å; Q26-M30 WeakPolarHBondContact O-CG 3.46Å; Q26-M30 PolarHBondContact O-N 2.94Å
27K88.8Confident93.6Very high160 Ų16064.6 Ų64.670%0.69633%0.325SS*.Hα-helixtrans-65.1-42.9178.3-63.7-179.5179.9176.30111.2N25 K29 M30 M31N25-K27 PolarHBondContact O-N 2.78Å; N25-K27 WeakPolarHBondContact OD1-CA 3.49Å; N25-K27 WeakPolarHBondContact OD1-CB 3.11Å; N25-K27 PolarHBondContact OD1-N 3.31Å; K27-K29 PolarHBondContact O-N 2.95Å; K27-M30 PolarHBondContact O-N 3.25Å; K27-M31 WeakPolarHBondContact O-CB 2.97Å; K27-M31 WeakPolarHBondContact O-CG 3.4Å; K27-M31 PolarHBondContact O-N 3.34Å
28E92.6Very high93.5Very high8 Ų869.1 Ų69.14%0.03735%0.349CS..Hα-helixtrans-62.8-42.1177.3-68164.1164.800111.7R22 L24 N25 M31 A32 Y33 A325R22-E28 IonicContact CZ-OE1 3.05Å; R22-E28 IonicContact CZ-OE2 3.28Å; R22-E28 IonicContact NH1-OE1 3.29Å; R22-E28 PolarHBondContact NH1-OE1 3.35Å; R22-E28 IonicContact NH1-OE2 2.75Å; R22-E28 PolarHBondContact NH1-OE2 3.03Å; R22-E28 IonicContact NH2-OE1 2.95Å; R22-E28 PolarHBondContact NH2-OE1 3.04Å; R22-E28 IonicContact NH2-OE2 2.89Å; R22-E28 PolarHBondContact NH2-OE2 3.23Å; L24-E28 WeakPolarHBondContact CA-OE2 3.38Å; L24-E28 HydrophobicContact CD2-CB 3.9Å; N25-E28 PolarHBondContact N-OE2 3.44Å; N25-E28 PolarHBondContact ND2-OE1 2.96Å; N25-E28 PolarHBondContact ND2-OE2 2.81Å; N25-E28 PolarHBondContact O-N 2.77Å; N25-E28 PolarHBondContact OD1-N 3.47Å; E28-M31 PolarHBondContact O-N 3.12Å; E28-A32 PolarHBondContact O-N 3.06Å; E28-Y33 HydrophobicContact CB-CD2 4.17Å; E28-Y33 HydrophobicContact CG-CD2 4.14Å; E28-Y33 PolarHBondContact O-N 3.15Å; E28-A325 HydrophobicContact CB-CB 4.46Å; E28-A325 HydrophobicContact CG-CB 3.99Å
29K92.4Very high93.5Very high136 Ų13670.7 Ų70.759%0.59136%0.358SS*.Hα-helixtrans-63.6-43.8173.8-71.3172.6176.41710112.1L24 N25 Q26 K27 M31 A32L24-K29 HydrophobicContact CB-CG 4.07Å; L24-K29 WeakPolarHBondContact O-CE 3.07Å; L24-K29 PolarHBondContact O-NZ 3.22Å; N25-K29 WeakPolarHBondContact O-CG 3.39Å; N25-K29 PolarHBondContact O-N 3.41Å; Q26-K29 PolarHBondContact O-N 3.31Å; K27-K29 PolarHBondContact O-N 2.95Å; K29-M31 VanDerWaalsContact C-N 3.33Å; K29-M31 PolarHBondContact O-N 3.4Å; K29-A32 PolarHBondContact O-N 3.5Å; K29-A32 VanDerWaalsContact O-N 3.14Å
30M93.1Very high93.2Very high164 Ų16473.2 Ų73.281%0.80837%0.372SS*.Hα-helixtrans-65.4-34.4177-73.1174.370.400112.9Q26 K27 A32Q26-M30 WeakPolarHBondContact O-CB 3.25Å; Q26-M30 VanDerWaalsContact O-CG 3.25Å; Q26-M30 WeakPolarHBondContact O-CG 3.46Å; Q26-M30 PolarHBondContact O-N 2.94Å; K27-M30 PolarHBondContact O-N 3.25Å; M30-A32 PolarHBondContact O-N 3.28Å
31M91.7Very high92.9Very high121 Ų12177.6 Ų77.660%0.59639%0.393SS*.THydrogen-bonded Turntrans-822.7175.1-69.1177.3170.600113.3K27 E28 K29 Y33K27-M31 WeakPolarHBondContact O-CB 2.97Å; K27-M31 WeakPolarHBondContact O-CG 3.4Å; K27-M31 PolarHBondContact O-N 3.34Å; E28-M31 PolarHBondContact O-N 3.12Å; K29-M31 VanDerWaalsContact C-N 3.33Å; K29-M31 PolarHBondContact O-N 3.4Å; M31-Y33 HydrophobicContact CB-CD2 3.91Å; M31-Y33 HydrophobicContact CB-CE1 4.44Å; M31-Y33 HydrophobicContact CB-CE2 3.69Å; M31-Y33 HydrophobicContact CB-CG 4.35Å; M31-Y33 HydrophobicContact CG-CE2 4.3Å; M31-Y33 PolarHBondContact O-N 3Å; M31-Y33 HydrophobicContact SD-CE2 3.68Å
32A91.1Very high92.3Very high79 Ų7981.3 Ų81.365%0.65341%0.411SS*.THydrogen-bonded Turntrans55.129.1-178.700000114.8E28 K29 M30E28-A32 PolarHBondContact O-N 3.06Å; K29-A32 PolarHBondContact O-N 3.5Å; K29-A32 VanDerWaalsContact O-N 3.14Å; M30-A32 PolarHBondContact O-N 3.28Å
33Y92.9Very high91.8Very high69 Ų6984.1 Ų84.127%0.27142%0.422SS..  trans-64.8143172-67.5-40.6000110.9E28 M31 D326 Y327E28-Y33 HydrophobicContact CB-CD2 4.17Å; E28-Y33 HydrophobicContact CG-CD2 4.14Å; E28-Y33 PolarHBondContact O-N 3.15Å; M31-Y33 HydrophobicContact CB-CD2 3.91Å; M31-Y33 HydrophobicContact CB-CE1 4.44Å; M31-Y33 HydrophobicContact CB-CE2 3.69Å; M31-Y33 HydrophobicContact CB-CG 4.35Å; M31-Y33 HydrophobicContact CG-CE2 4.3Å; M31-Y33 PolarHBondContact O-N 3Å; M31-Y33 HydrophobicContact SD-CE2 3.68Å; Y33-D326 VanDerWaalsContact CB-OD1 3.31Å; Y33-D326 WeakPolarHBondContact CB-OD1 3.41Å; Y33-Y327 HydrophobicContact CE1-CD2 4.07Å; Y33-Y327 HydrophobicContact CE1-CG 4.08Å; Y33-Y327 HydrophobicContact CE2-CD1 4.28Å; Y33-Y327 HydrophobicContact CE2-CD2 4.5Å; Y33-Y327 AromaticContact CE2-CG 3.96Å; Y33-Y327 HydrophobicContact CE2-CG 3.96Å; Y33-Y327 AromaticContact CZ-CD2 3.81Å; Y33-Y327 AromaticContact CZ-CG 3.69Å
34K91.4Very high91.6Very high129 Ų12981.2 Ų81.256%0.56141%0.405SS*.  trans-98.7150.2-173.6-68.6173.6-176.9172.40111.1A36 L51 A325 D326K34-A36 PolarHBondContact O-N 3.46Å; K34-L51 HydrophobicContact CB-CD1 3.42Å; K34-L51 VanDerWaalsContact CB-CD1 3.42Å; K34-L51 HydrophobicContact CD-CD1 3.96Å; K34-L51 HydrophobicContact CG-CD1 4.34Å; K34-A325 WeakPolarHBondContact O-CA 3.47Å; K34-D326 PolarHBondContact N-OD1 3.42Å; K34-D326 VanDerWaalsContact N-OD1 3.07Å; K34-D326 PolarHBondContact N-OD2 3.41Å; K34-D326 PolarHBondContact O-N 2.97Å
35P92.4Very high91.7Very high82 Ų8280.4 Ų80.453%0.53240%0.402SS..BIsolated β-bridgetrans-68.2114171.328.6-32.4000110L24 P324L24-P35 HydrophobicContact CD1-CB 4.5Å; P35-P324 CarbonylContact C-O 3.57Å; P35-P324 WeakPolarHBondContact CA-O 3.4Å
36A93.3Very high92Very high2 Ų277.8 Ų77.82%0.01739%0.387CS..  trans-94.5-15.9174.600000113.1K34 V48 N49 P324 D326K34-A36 PolarHBondContact O-N 3.46Å; A36-V48 WeakPolarHBondContact O-CA 3.48Å; A36-N49 WeakPolarHBondContact CB-O 3.42Å; A36-N49 PolarHBondContact O-N 2.98Å; A36-P324 PolarHBondContact N-O 2.92Å; A36-D326 HydrophobicContact CB-CB 3.98Å
37V95.7Very high92.2Very high18 Ų1871.3 Ų71.311%0.10936%0.359CS..EExtended strand (participates in β ladder)trans-102.1130.2-175.7-175.20000110.7V39 I46 V48 I322 T332V37-V39 HydrophobicContact CG1-CG2 4.08Å; V37-I46 HydrophobicContact CG1-CG2 3.82Å; V37-V48 HydrophobicContact CG2-CG1 4.42Å; V37-V48 HydrophobicContact CG2-CG2 4.41Å; V37-I322 HydrophobicContact CG1-CD1 3.93Å; V37-T332 HydrophobicContact CG2-CG2 4.07Å
38I94.8Very high92.4Very high95 Ų9563.7 Ų63.749%0.48733%0.326SS..EExtended strand (participates in β ladder)trans-112.6132.1169.9-57.7172.9000107.3I46 T47 N49I38-I46 WeakPolarHBondContact O-CA 3.38Å; I38-T47 PolarHBondContact N-O 2.87Å; I38-T47 PolarHBondContact O-N 2.86Å; I38-N49 WeakPolarHBondContact CD1-ND2 3.34Å
39V95.9Very high92.3Very high36 Ų3665.3 Ų65.322%0.21834%0.335CS..EExtended strand (participates in β ladder)trans-117.5130.1-179.6-173.40000109C21 V37 E41 I46 V66C21-V39 HydrophobicContact CB-CG2 3.82Å; V37-V39 HydrophobicContact CG1-CG2 4.08Å; V39-E41 HydrophobicContact CG1-CG 4.24Å; V39-I46 HydrophobicContact CG1-CG1 4.25Å; V39-I46 HydrophobicContact CG2-CG1 4.3Å; V39-V66 HydrophobicContact CG1-CB 4.02Å; V39-V66 HydrophobicContact CG1-CG2 3.59Å
40D93Very high92Very high54 Ų5461.3 Ų61.329%0.28932%0.317SS..EExtended strand (participates in β ladder)trans-118.597.6172.4-178.5-23000108.3I42 R43 G44 T45 V66D40-I42 VanDerWaalsContact C-N 3.27Å; D40-I42 PolarHBondContact O-N 2.92Å; D40-I42 PolarHBondContact OD1-N 3.39Å; D40-R43 HydrophobicContact CB-CB 4.41Å; D40-R43 PolarHBondContact OD1-N 3.26Å; D40-R43 VanDerWaalsContact OD2-CD 3.23Å; D40-R43 WeakPolarHBondContact OD2-CD 3.43Å; D40-R43 VanDerWaalsContact OD2-CG 3.28Å; D40-R43 WeakPolarHBondContact OD2-CG 3.46Å; D40-R43 IonicContact OD2-NE 3.65Å; D40-G44 PolarHBondContact O-N 3.24Å; D40-T45 PolarHBondContact N-O 3.37Å; D40-T45 PolarHBondContact O-N 3.02Å; D40-V66 VanDerWaalsContact O-CG2 3.26Å; D40-V66 WeakPolarHBondContact O-CG2 3.47Å
41E90.3Very high91.5Very high108 Ų10856.6 Ų56.651%0.50530%0.295SS..THydrogen-bonded Turntrans-66.1-27.4-178.4-57.3-168.3166.900112.7V39 G68 S71V39-E41 HydrophobicContact CG1-CG 4.24Å; E41-G68 PolarHBondContact OE1-N 3.49Å; E41-S71 PolarHBondContact OE1-OG 3.39Å
42I86.1Confident91Very high81 Ų8159.3 Ų59.342%0.41531%0.306SS..THydrogen-bonded Turntrans-75.9-44.2-178.2-58175.6000110.4D40 G44 R515D40-I42 VanDerWaalsContact C-N 3.27Å; D40-I42 PolarHBondContact O-N 2.92Å; D40-I42 PolarHBondContact OD1-N 3.39Å; I42-G44 VanDerWaalsContact C-N 3.34Å; I42-R515 HydrophobicContact CG2-CB 4.21Å
43R85.1Confident90.5Very high100 Ų10058 Ų5838%0.37729%0.291SS..THydrogen-bonded Turntrans-82-12176.8-64.6-172.4172.2-153.1-6.8113.4D40 T45 E522D40-R43 HydrophobicContact CB-CB 4.41Å; D40-R43 PolarHBondContact OD1-N 3.26Å; D40-R43 VanDerWaalsContact OD2-CD 3.23Å; D40-R43 WeakPolarHBondContact OD2-CD 3.43Å; D40-R43 VanDerWaalsContact OD2-CG 3.28Å; D40-R43 WeakPolarHBondContact OD2-CG 3.46Å; D40-R43 IonicContact OD2-NE 3.65Å; R43-T45 VanDerWaalsContact C-N 3.31Å; R43-T45 HydrophobicContact CB-CG2 3.95Å; R43-E522 IonicContact CZ-OE1 2.63Å; R43-E522 IonicContact NH1-OE1 3.3Å; R43-E522 VanDerWaalsContact NH2-CD 3.3Å; R43-E522 IonicContact NH2-OE1 2.83Å; R43-E522 PolarHBondContact NH2-OE1 3.44Å; R43-E522 IonicContact NH2-OE2 3.02Å
44G91.1Very high89.6Confident9 Ų959.9 Ų59.99%0.09331%0.311CS..THydrogen-bonded Turntrans69.628-173.700000112.9D40 I42 T62 F63 V66D40-G44 PolarHBondContact O-N 3.24Å; I42-G44 VanDerWaalsContact C-N 3.34Å; G44-T62 WeakPolarHBondContact O-CA 3.38Å; G44-F63 PolarHBondContact O-N 3.35Å; G44-V66 WeakPolarHBondContact O-CG1 3.4Å
45T94.2Very high88.8Confident21 Ų2162.9 Ų62.913%0.12933%0.327CS..EExtended strand (participates in β ladder)trans-114.8147.2-171.967.10000114D40 R43 T60 F61 T62D40-T45 PolarHBondContact N-O 3.37Å; D40-T45 PolarHBondContact O-N 3.02Å; R43-T45 VanDerWaalsContact C-N 3.31Å; R43-T45 HydrophobicContact CB-CG2 3.95Å; T45-T60 HydrophobicContact CG2-CG2 4.39Å; T45-F61 CarbonylContact C-O 3.49Å; T45-F61 VanDerWaalsContact CA-O 3.23Å; T45-F61 WeakPolarHBondContact CA-O 3.34Å; T45-T62 HydrophobicContact CG2-CG2 4.03Å
46I96.2Very high88.1Confident0 Ų060.9 Ų60.90%031%0.31CS..EExtended strand (participates in β ladder)trans-124.1125.7172.4-73.4170.5000108.4V19 V37 I38 V39 V48 T60 F61 V66 I322 L336V19-I46 HydrophobicContact CB-CD1 3.45Å; V19-I46 VanDerWaalsContact CB-CD1 3.45Å; V19-I46 HydrophobicContact CG1-CD1 3.25Å; V19-I46 HydrophobicContact CG2-CD1 4.26Å; V37-I46 HydrophobicContact CG1-CG2 3.82Å; I38-I46 WeakPolarHBondContact O-CA 3.38Å; V39-I46 HydrophobicContact CG1-CG1 4.25Å; V39-I46 HydrophobicContact CG2-CG1 4.3Å; I46-V48 HydrophobicContact CG2-CG2 4.05Å; I46-T60 CarbonylContact O-C 3.58Å; I46-T60 VanDerWaalsContact O-CA 3.3Å; I46-T60 WeakPolarHBondContact O-CA 3.29Å; I46-F61 PolarHBondContact N-O 2.92Å; I46-F61 PolarHBondContact O-N 2.64Å; I46-V66 HydrophobicContact CD1-CB 4.06Å; I46-V66 HydrophobicContact CD1-CG1 3.86Å; I46-V66 HydrophobicContact CG1-CB 4.1Å; I46-V66 HydrophobicContact CG1-CG1 3.91Å; I46-I322 HydrophobicContact CD1-CD1 4.1Å; I46-I322 HydrophobicContact CG2-CD1 4.16Å; I46-L336 HydrophobicContact CD1-CD2 4.27Å; I46-L336 HydrophobicContact CG2-CD1 3.95Å; I46-L336 HydrophobicContact CG2-CD2 4.2Å
47T94.3Very high87.5Confident25 Ų2561.9 Ų61.915%0.15332%0.317CS..EExtended strand (participates in β ladder)trans-113.3127.4177.7-61.20000109.8I38 P58 K59 T60I38-T47 PolarHBondContact N-O 2.87Å; I38-T47 PolarHBondContact O-N 2.86Å; T47-P58 HydrophobicContact CG2-CB 3.7Å; T47-P58 HydrophobicContact CG2-CG 4.19Å; T47-K59 CarbonylContact C-O 3.14Å; T47-K59 VanDerWaalsContact CA-O 3.3Å; T47-K59 WeakPolarHBondContact CA-O 3.48Å; T47-T60 WeakPolarHBondContact OG1-CG2 3.47Å; T47-T60 PolarHBondContact OG1-OG1 3.14Å
48V93.9Very high87.1Confident1 Ų164.4 Ų64.41%0.00633%0.334CS..EExtended strand (participates in β ladder)trans-116.9125.5-178.4-168.50000110.2A36 V37 I46 K59 Y329 T332 I333 L336A36-V48 WeakPolarHBondContact O-CA 3.48Å; V37-V48 HydrophobicContact CG2-CG1 4.42Å; V37-V48 HydrophobicContact CG2-CG2 4.41Å; I46-V48 HydrophobicContact CG2-CG2 4.05Å; V48-K59 PolarHBondContact N-O 3.4Å; V48-K59 PolarHBondContact O-N 3.08Å; V48-Y329 HydrophobicContact CB-CE2 4.47Å; V48-Y329 HydrophobicContact CG1-CD2 3.58Å; V48-Y329 HydrophobicContact CG1-CE2 3.7Å; V48-T332 HydrophobicContact CG1-CG2 4.46Å; V48-T332 HydrophobicContact CG2-CG2 4.17Å; V48-I333 HydrophobicContact CB-CD1 3.83Å; V48-I333 HydrophobicContact CG1-CD1 4Å; V48-I333 HydrophobicContact CG2-CD1 4.12Å; V48-L336 HydrophobicContact CG2-CD1 3.45Å; V48-L336 VanDerWaalsContact CG2-CD1 3.45Å
49N89.8Confident86.8Confident42 Ų4260.9 Ų60.923%0.22531%0.314CS..  trans-104.8130.5-175.8-57.2-30.8000110.5A36 I38 L51 P58A36-N49 WeakPolarHBondContact CB-O 3.42Å; A36-N49 PolarHBondContact O-N 2.98Å; I38-N49 WeakPolarHBondContact CD1-ND2 3.34Å; N49-L51 HydrophobicContact CB-CD2 4.01Å; N49-L51 PolarHBondContact O-N 3.46Å; N49-P58 WeakPolarHBondContact OD1-CB 3.12Å
50K86.8Confident86.6Confident51 Ų5163 Ų6322%0.22233%0.327CS..  trans-90.596.5174-165.8165.8156.4-1620109.7E52 T53 E56 Y329K50-E52 PolarHBondContact O-N 2.97Å; K50-T53 WeakPolarHBondContact CD-OG1 3.23Å; K50-T53 WeakPolarHBondContact CE-OG1 3.43Å; K50-T53 WeakPolarHBondContact CG-OG1 3.27Å; K50-T53 CarbonylContact O-C 3.46Å; K50-T53 PolarHBondContact O-N 2.84Å; K50-T53 VanDerWaalsContact O-N 3.07Å; K50-E56 WeakPolarHBondContact CD-OE2 3.42Å; K50-E56 WeakPolarHBondContact CE-OE2 3.4Å; K50-E56 IonicContact NZ-OE1 2.87Å; K50-E56 IonicContact NZ-OE2 3.91Å; K50-E56 PolarHBondContact NZ-OE2 3.23Å; K50-Y329 HydrophobicContact CB-CD2 4.21Å; K50-Y329 HydrophobicContact CB-CE1 4.42Å; K50-Y329 HydrophobicContact CB-CE2 3.69Å; K50-Y329 HydrophobicContact CD-CD1 4.29Å; K50-Y329 HydrophobicContact CD-CE1 3.67Å; K50-Y329 HydrophobicContact CD-CE2 4.41Å; K50-Y329 HydrophobicContact CG-CD1 4.39Å; K50-Y329 HydrophobicContact CG-CD2 4.46Å; K50-Y329 HydrophobicContact CG-CE1 4.13Å; K50-Y329 HydrophobicContact CG-CE2 4.21Å
51L82.6Confident86.7Confident66 Ų6661.1 Ų61.135%0.34632%0.317SS..THydrogen-bonded Turntrans-67.7-20.7-169.4-57.2-173.7000114.1K34 N49 T53 D326K34-L51 HydrophobicContact CB-CD1 3.42Å; K34-L51 VanDerWaalsContact CB-CD1 3.42Å; K34-L51 HydrophobicContact CD-CD1 3.96Å; K34-L51 HydrophobicContact CG-CD1 4.34Å; N49-L51 HydrophobicContact CB-CD2 4.01Å; N49-L51 PolarHBondContact O-N 3.46Å; L51-T53 VanDerWaalsContact C-N 3.35Å; L51-D326 HydrophobicContact CD1-CB 3.77Å; L51-D326 HydrophobicContact CG-CB 4.21Å
52E80.3Confident86.9Confident177 Ų17759.4 Ų59.483%0.82731%0.314SS*.THydrogen-bonded Turntrans-72.7-25.9173.7-61-177.4166.300113K50K50-E52 PolarHBondContact O-N 2.97Å
53T80.3Confident87.3Confident53 Ų5356 Ų5633%0.32530%0.296SS..  trans-126.272.3-178.545.60000111.4K50 L51 H55 E56K50-T53 WeakPolarHBondContact CD-OG1 3.23Å; K50-T53 WeakPolarHBondContact CE-OG1 3.43Å; K50-T53 WeakPolarHBondContact CG-OG1 3.27Å; K50-T53 CarbonylContact O-C 3.46Å; K50-T53 PolarHBondContact O-N 2.84Å; K50-T53 VanDerWaalsContact O-N 3.07Å; L51-T53 VanDerWaalsContact C-N 3.35Å; T53-H55 PolarHBondContact O-N 2.85Å; T53-E56 WeakPolarHBondContact O-CB 3.49Å; T53-E56 PolarHBondContact O-N 3.41Å; T53-E56 PolarHBondContact OG1-OE2 2.94Å
54P73.6Confident87.7Confident108 Ų10854.9 Ų54.970%0.70130%0.298SS*.THydrogen-bonded Turntrans-62.2-13-175-2334.2000116
55H74.4Confident87.8Confident191 Ų19156.1 Ų56.188%0.88430%0.304SS*.THydrogen-bonded Turntrans-85.8-12.5173.6-59.9-52000113.3T53T53-H55 PolarHBondContact O-N 2.85Å
56E78.1Confident87.9Confident41 Ų4155.2 Ų55.219%0.19230%0.298CS..SBendtrans-77.6126.3174.1-163.6171.7168.800108.8K50 T53 S558K50-E56 WeakPolarHBondContact CD-OE2 3.42Å; K50-E56 WeakPolarHBondContact CE-OE2 3.4Å; K50-E56 IonicContact NZ-OE1 2.87Å; K50-E56 IonicContact NZ-OE2 3.91Å; K50-E56 PolarHBondContact NZ-OE2 3.23Å; T53-E56 WeakPolarHBondContact O-CB 3.49Å; T53-E56 PolarHBondContact O-N 3.41Å; T53-E56 PolarHBondContact OG1-OE2 2.94Å; E56-S558 PolarHBondContact OE1-OG 3.35Å
57P81.1Confident87.9Confident23 Ų2355.5 Ų55.515%0.14930%0.299CS..PPolyproline II helixtrans-66144.9-178.627.8-35000110.8T551 M554 A555P57-T551 HydrophobicContact CB-CG2 4.37Å; P57-M554 HydrophobicContact CG-CB 4.48Å; P57-A555 HydrophobicContact CB-CB 4.15Å; P57-A555 VanDerWaalsContact CG-CA 3.41Å; P57-A555 HydrophobicContact CG-CB 3.69Å
58P86.8Confident87.9Confident71 Ų7154.6 Ų54.646%0.46130%0.295SS..PPolyproline II helixtrans-73.2151-174.834.4-38.9000111.5T47 N49T47-P58 HydrophobicContact CG2-CB 3.7Å; T47-P58 HydrophobicContact CG2-CG 4.19Å; N49-P58 WeakPolarHBondContact OD1-CB 3.12Å
59K89.4Confident87.9Confident20 Ų2057.3 Ų57.39%0.08731%0.313CS..EExtended strand (participates in β ladder)trans-98.2117.5-174.9-63.6-173.3-179.7-174.60110.8T47 V48 F61 Y329 I333 D562T47-K59 CarbonylContact C-O 3.14Å; T47-K59 VanDerWaalsContact CA-O 3.3Å; T47-K59 WeakPolarHBondContact CA-O 3.48Å; V48-K59 PolarHBondContact N-O 3.4Å; V48-K59 PolarHBondContact O-N 3.08Å; K59-F61 HydrophobicContact CB-CE2 3.96Å; K59-F61 HydrophobicContact CB-CZ 4.5Å; K59-Y329 WeakPolarHBondContact CE-OH 3.47Å; K59-I333 HydrophobicContact CB-CD1 4.18Å; K59-I333 HydrophobicContact CD-CD1 3.85Å; K59-D562 IonicContact NZ-OD2 3.57Å; K59-D562 PolarHBondContact NZ-OD2 2.92Å
60T91.4Very high88Confident80 Ų8062.6 Ų62.649%0.49134%0.341SS..EExtended strand (participates in β ladder)trans-110.7132.9-178.4-54.70000111.2T45 I46 T47T45-T60 HydrophobicContact CG2-CG2 4.39Å; I46-T60 CarbonylContact O-C 3.58Å; I46-T60 VanDerWaalsContact O-CA 3.3Å; I46-T60 WeakPolarHBondContact O-CA 3.29Å; T47-T60 WeakPolarHBondContact OG1-CG2 3.47Å; T47-T60 PolarHBondContact OG1-OG1 3.14Å
61F94.2Very high88.2Confident15 Ų1560.9 Ų60.97%0.06634%0.336CS..EExtended strand (participates in β ladder)trans-125.6149.3178.8-58.9-94.4000110.1T45 I46 K59 F63 I333 L336 R337 N340T45-F61 CarbonylContact C-O 3.49Å; T45-F61 VanDerWaalsContact CA-O 3.23Å; T45-F61 WeakPolarHBondContact CA-O 3.34Å; I46-F61 PolarHBondContact N-O 2.92Å; I46-F61 PolarHBondContact O-N 2.64Å; K59-F61 HydrophobicContact CB-CE2 3.96Å; K59-F61 HydrophobicContact CB-CZ 4.5Å; F61-F63 HydrophobicContact CB-CD2 4.34Å; F61-F63 HydrophobicContact CB-CE2 3.38Å; F61-F63 HydrophobicContact CB-CZ 3.64Å; F61-F63 HydrophobicContact CG-CE2 4.39Å; F61-F63 HydrophobicContact CG-CZ 4.34Å; F61-I333 HydrophobicContact CE2-CD1 4.02Å; F61-I333 HydrophobicContact CZ-CD1 4.39Å; F61-L336 HydrophobicContact CD1-CB 4.26Å; F61-L336 HydrophobicContact CD2-CB 3.94Å; F61-L336 HydrophobicContact CD2-CD1 3.81Å; F61-L336 HydrophobicContact CD2-CG 4.38Å; F61-L336 HydrophobicContact CE1-CB 4.22Å; F61-L336 HydrophobicContact CE2-CB 3.89Å; F61-L336 HydrophobicContact CE2-CD1 3.88Å; F61-L336 HydrophobicContact CG-CB 4.13Å; F61-L336 HydrophobicContact CZ-CB 4.03Å; F61-R337 HydrophobicContact CE1-CG 4.15Å; F61-R337 HydrophobicContact CZ-CG 4.28Å; F61-N340 HydrophobicContact CD1-CB 4.33Å
62T94.3Very high88.7Confident73 Ų7363.8 Ų63.845%0.44835%0.345SS..EExtended strand (participates in β ladder)trans-125.1118.8-176.1-48.20000112.1G44 T45 K343G44-T62 WeakPolarHBondContact O-CA 3.38Å; T45-T62 HydrophobicContact CG2-CG2 4.03Å; T62-K343 PolarHBondContact O-NZ 3.31Å
63F95.6Very high89.3Confident8 Ų855.7 Ų55.74%0.03531%0.308CS..  trans-114.3179.6-174.3-61-76.4000111.8V17 V19 G44 F61 V66 L336 A339 N340V17-F63 HydrophobicContact CB-CD1 4.27Å; V17-F63 HydrophobicContact CG1-CD1 3.55Å; V17-F63 HydrophobicContact CG1-CE1 4.01Å; V19-F63 HydrophobicContact CB-CD2 4.26Å; V19-F63 HydrophobicContact CG2-CB 4.1Å; V19-F63 HydrophobicContact CG2-CD1 3.7Å; V19-F63 HydrophobicContact CG2-CD2 3.37Å; V19-F63 HydrophobicContact CG2-CE1 3.91Å; V19-F63 HydrophobicContact CG2-CE2 3.58Å; V19-F63 HydrophobicContact CG2-CG 3.42Å; V19-F63 VanDerWaalsContact CG2-CG 3.42Å; V19-F63 HydrophobicContact CG2-CZ 3.85Å; G44-F63 PolarHBondContact O-N 3.35Å; F61-F63 HydrophobicContact CB-CD2 4.34Å; F61-F63 HydrophobicContact CB-CE2 3.38Å; F61-F63 HydrophobicContact CB-CZ 3.64Å; F61-F63 HydrophobicContact CG-CE2 4.39Å; F61-F63 HydrophobicContact CG-CZ 4.34Å; F63-V66 HydrophobicContact CB-CG1 3.97Å; F63-V66 HydrophobicContact CD2-CG1 3.98Å; F63-V66 HydrophobicContact CG-CG1 4.45Å; F63-L336 HydrophobicContact CE2-CD2 3.66Å; F63-L336 HydrophobicContact CZ-CB 4.43Å; F63-L336 HydrophobicContact CZ-CD2 3.76Å; F63-A339 HydrophobicContact CE1-CB 3.73Å; F63-A339 HydrophobicContact CZ-CB 4.27Å; F63-N340 HydrophobicContact CE1-CB 4.2Å; F63-N340 HydrophobicContact CZ-CB 4.5Å
64D93.3Very high89.8Confident78 Ų7854.1 Ų54.142%0.41730%0.297SS..SBendtrans-77.2-28.7178.8-55.1-54.3000111.3V17 K343V17-D64 PolarHBondContact N-OD2 2.82Å; V17-D64 PolarHBondContact O-N 2.99Å; D64-K343 WeakPolarHBondContact OD1-CE 3.4Å; D64-K343 IonicContact OD1-NZ 2.7Å
65T93.6Very high90.6Very high35 Ų3549.8 Ų49.822%0.21527%0.268CS..EExtended strand (participates in β ladder)trans-155.4144.2169.7-500000109.1V18 V19 F67 L79V18-T65 VanDerWaalsContact CA-O 3.25Å; V18-T65 WeakPolarHBondContact CA-O 3.29Å; V19-T65 PolarHBondContact N-O 3.3Å; V19-T65 VanDerWaalsContact N-O 3.07Å; T65-F67 HydrophobicContact CG2-CD2 4.44Å; T65-F67 HydrophobicContact CG2-CE1 4.05Å; T65-F67 HydrophobicContact CG2-CE2 3.72Å; T65-F67 HydrophobicContact CG2-CZ 3.49Å; T65-F67 VanDerWaalsContact CG2-CZ 3.49Å; T65-L79 HydrophobicContact CG2-CD1 4.23Å
66V96.1Very high91.5Very high2 Ų240.8 Ų40.81%0.01223%0.226CC..EExtended strand (participates in β ladder)trans-127.5145.1172.7-55.50000109.8V19 V39 D40 G44 I46 F63V19-V66 HydrophobicContact CB-CG1 4.46Å; V19-V66 CarbonylContact O-C 3.56Å; V19-V66 WeakPolarHBondContact O-CA 3.2Å; V39-V66 HydrophobicContact CG1-CB 4.02Å; V39-V66 HydrophobicContact CG1-CG2 3.59Å; D40-V66 VanDerWaalsContact O-CG2 3.26Å; D40-V66 WeakPolarHBondContact O-CG2 3.47Å; G44-V66 WeakPolarHBondContact O-CG1 3.4Å; I46-V66 HydrophobicContact CD1-CB 4.06Å; I46-V66 HydrophobicContact CD1-CG1 3.86Å; I46-V66 HydrophobicContact CG1-CB 4.1Å; I46-V66 HydrophobicContact CG1-CG1 3.91Å; F63-V66 HydrophobicContact CB-CG1 3.97Å; F63-V66 HydrophobicContact CD2-CG1 3.98Å; F63-V66 HydrophobicContact CG-CG1 4.45Å
67F96.4Very high92.3Very high5 Ų538.8 Ų38.82%0.02222%0.217CC..EExtended strand (participates in β ladder)trans-124.8124.2-177.3-62.9-77.1000109.6V18 V19 R20 C21 T65 S71 V76 L79 T80V18-F67 HydrophobicContact CB-CE2 4.19Å; V18-F67 HydrophobicContact CG2-CE2 4.48Å; V19-F67 PolarHBondContact O-N 3.44Å; R20-F67 HydrophobicContact CB-CB 4.18Å; R20-F67 HydrophobicContact CG-CB 3.94Å; C21-F67 PolarHBondContact N-O 3.49Å; T65-F67 HydrophobicContact CG2-CD2 4.44Å; T65-F67 HydrophobicContact CG2-CE1 4.05Å; T65-F67 HydrophobicContact CG2-CE2 3.72Å; T65-F67 HydrophobicContact CG2-CZ 3.49Å; T65-F67 VanDerWaalsContact CG2-CZ 3.49Å; F67-S71 WeakPolarHBondContact CA-OG 3.44Å; F67-S71 WeakPolarHBondContact CB-OG 3.23Å; F67-V76 HydrophobicContact CD1-CG2 3.71Å; F67-V76 HydrophobicContact CD2-CG2 4.11Å; F67-V76 HydrophobicContact CE1-CB 4.42Å; F67-V76 HydrophobicContact CE1-CG2 3.82Å; F67-V76 HydrophobicContact CE2-CG1 4.35Å; F67-V76 HydrophobicContact CE2-CG2 4.24Å; F67-V76 HydrophobicContact CG-CG2 3.85Å; F67-V76 HydrophobicContact CZ-CB 4.36Å; F67-V76 HydrophobicContact CZ-CG1 4.49Å; F67-V76 HydrophobicContact CZ-CG2 4.09Å; F67-L79 HydrophobicContact CE1-CD1 3.77Å; F67-L79 HydrophobicContact CZ-CB 4.01Å; F67-L79 HydrophobicContact CZ-CD1 4.02Å; F67-T80 HydrophobicContact CE2-CG2 3.56Å; F67-T80 HydrophobicContact CZ-CG2 3.54Å
68G94.6Very high92.8Very high6 Ų638 Ų386%0.06221%0.212CC..  trans-79.2-176.9174.900000113.7C21 E41 D70 S71C21-G68 CarbonylContact O-C 3.57Å; C21-G68 VanDerWaalsContact O-C 3.24Å; E41-G68 PolarHBondContact OE1-N 3.49Å; G68-D70 PolarHBondContact O-N 2.88Å; G68-S71 PolarHBondContact N-OG 3.2Å; G68-S71 PolarHBondContact O-N 3.48Å; G68-S71 PolarHBondContact O-OG 3.21Å; G68-S71 VanDerWaalsContact O-OG 3.09Å
69P92.4Very high92.9Very high59 Ų5937.3 Ų37.338%0.38320%0.204SC..THydrogen-bonded Turntrans-57.5-29179.2-28.838.3000114.8C21 P23C21-P69 WeakPolarHBondContact O-CA 3.18Å; P23-P69 HydrophobicContact CB-CB 4.3Å; P23-P69 WeakPolarHBondContact CD-O 3.23Å; P23-P69 HydrophobicContact CG-CB 3.9Å; P23-P69 VanDerWaalsContact CG-O 3.29Å; P23-P69 WeakPolarHBondContact CG-O 3.15Å
70D91.8Very high92.9Very high152 Ų15236.7 Ų36.781%0.81320%0.202SC*.THydrogen-bonded Turntrans-95.9-2.9-171.3-55.5-51.7000113.7G68 K72G68-D70 PolarHBondContact O-N 2.88Å; D70-K72 PolarHBondContact O-N 3.21Å
71S92.9Very high93Very high16 Ų1632.9 Ų32.911%0.11218%0.178CC..  trans-71.4127.1-176.6-31.20000112.5R20 E41 F67 G68R20-S71 PolarHBondContact NH2-O 2.95Å; E41-S71 PolarHBondContact OE1-OG 3.39Å; F67-S71 WeakPolarHBondContact CA-OG 3.44Å; F67-S71 WeakPolarHBondContact CB-OG 3.23Å; G68-S71 PolarHBondContact N-OG 3.2Å; G68-S71 PolarHBondContact O-N 3.48Å; G68-S71 PolarHBondContact O-OG 3.21Å; G68-S71 VanDerWaalsContact O-OG 3.09Å
72K92.3Very high93Very high127 Ų12734.7 Ų34.755%0.55219%0.185SC*.  trans-73.5162.1-176.4-55.5-179.5179.6-177.10112.3D70 D75 V76D70-K72 PolarHBondContact O-N 3.21Å; K72-D75 HydrophobicContact CB-CB 4.47Å; K72-D75 WeakPolarHBondContact CB-OD2 3.47Å; K72-D75 PolarHBondContact N-OD2 3.36Å; K72-D75 PolarHBondContact O-N 3.03Å; K72-V76 WeakPolarHBondContact O-CG2 3.39Å; K72-V76 PolarHBondContact O-N 3.37Å
73Q93.6Very high93Very high7 Ų733.6 Ų33.63%0.03318%0.179CC..Hα-helixtrans-65.1-40177-63.9-83.667.600112.8R20 V76 Y77 F108 L119 R120R20-Q73 VanDerWaalsContact CZ-OE1 3.23Å; Q73-V76 PolarHBondContact O-N 2.91Å; Q73-Y77 PolarHBondContact O-N 3.03Å; Q73-F108 HydrophobicContact CG-CE1 4.44Å; Q73-F108 HydrophobicContact CG-CZ 4.32Å; Q73-F108 PolarHBondContact NE2-O 2.91Å; Q73-L119 PolarHBondContact NE2-O 2.83Å; Q73-R120 WeakPolarHBondContact CB-O 3.16Å
74L90.9Very high92.9Very high20 Ų2033.4 Ų33.411%0.10518%0.178CC..Hα-helixtrans-64.7-40.5177.3-78.878.2000111.3V76 Y77 N78 L496 L497L74-V76 VanDerWaalsContact C-N 3.33Å; L74-V76 PolarHBondContact O-N 2.92Å; L74-Y77 PolarHBondContact O-N 3.14Å; L74-Y77 VanDerWaalsContact O-N 3.14Å; L74-N78 WeakPolarHBondContact O-CB 3.41Å; L74-N78 PolarHBondContact O-N 3.12Å; L74-L496 HydrophobicContact CD2-CB 4.19Å; L74-L496 WeakPolarHBondContact CD2-O 3.48Å; L74-L497 HydrophobicContact CD2-CD2 4.16Å; L74-L497 HydrophobicContact CG-CD2 4.04Å
75D90Very high93.1Very high17 Ų1729.7 Ų29.79%0.09116%0.158CC..Hα-helixtrans-59.2-44.9175.7-58.1-30.9000111K72 L79 L504 R507K72-D75 HydrophobicContact CB-CB 4.47Å; K72-D75 WeakPolarHBondContact CB-OD2 3.47Å; K72-D75 PolarHBondContact N-OD2 3.36Å; K72-D75 PolarHBondContact O-N 3.03Å; D75-L79 WeakPolarHBondContact O-CB 3.48Å; D75-L79 PolarHBondContact O-N 3.46Å; D75-L79 VanDerWaalsContact O-N 3.11Å; D75-L504 HydrophobicContact CB-CD1 3.96Å; D75-R507 IonicContact OD1-NH1 3.87Å; D75-R507 IonicContact OD2-NH1 3.41Å
76V93.4Very high93.1Very high1 Ų130.5 Ų30.51%0.00616%0.161CC..Hα-helixtrans-63.9-42174.4177.50000111.4F67 K72 Q73 L74 T80 T109F67-V76 HydrophobicContact CD1-CG2 3.71Å; F67-V76 HydrophobicContact CD2-CG2 4.11Å; F67-V76 HydrophobicContact CE1-CB 4.42Å; F67-V76 HydrophobicContact CE1-CG2 3.82Å; F67-V76 HydrophobicContact CE2-CG1 4.35Å; F67-V76 HydrophobicContact CE2-CG2 4.24Å; F67-V76 HydrophobicContact CG-CG2 3.85Å; F67-V76 HydrophobicContact CZ-CB 4.36Å; F67-V76 HydrophobicContact CZ-CG1 4.49Å; F67-V76 HydrophobicContact CZ-CG2 4.09Å; K72-V76 WeakPolarHBondContact O-CG2 3.39Å; K72-V76 PolarHBondContact O-N 3.37Å; Q73-V76 PolarHBondContact O-N 2.91Å; L74-V76 VanDerWaalsContact C-N 3.33Å; L74-V76 PolarHBondContact O-N 2.92Å; V76-T80 WeakPolarHBondContact O-CB 3.3Å; V76-T80 VanDerWaalsContact O-CG2 3.32Å; V76-T80 WeakPolarHBondContact O-CG2 3.29Å; V76-T80 PolarHBondContact O-N 2.86Å; V76-T80 PolarHBondContact O-OG1 3.23Å; V76-T109 HydrophobicContact CG1-CG2 4.26Å
77Y95.3Very high93Very high0 Ų031 Ų310%016%0.164CC..Iπ-helixtrans-62.5-52.6178.4-179.2-95.4000111.7Q73 L74 L79 T80 A81 R82 I85 I122 N125 H129 L497Q73-Y77 PolarHBondContact O-N 3.03Å; L74-Y77 PolarHBondContact O-N 3.14Å; L74-Y77 VanDerWaalsContact O-N 3.14Å; Y77-L79 PolarHBondContact O-N 2.91Å; Y77-T80 PolarHBondContact O-N 3.43Å; Y77-A81 HydrophobicContact CD2-CB 3.56Å; Y77-A81 HydrophobicContact CE2-CB 3.67Å; Y77-A81 HydrophobicContact CG-CB 4.3Å; Y77-A81 WeakPolarHBondContact O-CA 3.24Å; Y77-A81 WeakPolarHBondContact O-CB 3.43Å; Y77-A81 PolarHBondContact O-N 3.45Å; Y77-R82 HydrophobicContact CD1-CB 4.38Å; Y77-R82 HydrophobicContact CE1-CB 3.99Å; Y77-R82 HydrophobicContact CE1-CG 4.21Å; Y77-R82 PolarHBondContact O-N 2.89Å; Y77-I85 HydrophobicContact CE2-CD1 4.32Å; Y77-I122 HydrophobicContact CD2-CG2 4.46Å; Y77-N125 HydrophobicContact CD1-CB 4.2Å; Y77-N125 HydrophobicContact CD2-CB 3.54Å; Y77-N125 HydrophobicContact CE1-CB 4.34Å; Y77-N125 HydrophobicContact CE2-CB 3.71Å; Y77-N125 HydrophobicContact CG-CB 3.8Å; Y77-H129 HydrophobicContact CE1-CB 4.49Å; Y77-H129 VanDerWaalsContact OH-CB 3.31Å; Y77-H129 WeakPolarHBondContact OH-CB 3.48Å; Y77-H129 PolarHBondContact OH-ND1 2.74Å; Y77-L497 HydrophobicContact CD1-CD2 3.61Å; Y77-L497 HydrophobicContact CE1-CD1 4.25Å; Y77-L497 HydrophobicContact CE1-CD2 4.11Å; Y77-L497 HydrophobicContact CG-CD2 4.36Å
78N91.3Very high93Very high6 Ų630.8 Ų30.83%0.03216%0.164CC..Iπ-helixtrans-65.1-40.4-174.9-77.9-22000112.5L74 L497 S500 N501 L504L74-N78 WeakPolarHBondContact O-CB 3.41Å; L74-N78 PolarHBondContact O-N 3.12Å; N78-L497 PolarHBondContact ND2-O 2.84Å; N78-S500 WeakPolarHBondContact ND2-CB 3.45Å; N78-S500 PolarHBondContact ND2-OG 3.22Å; N78-S500 VanDerWaalsContact ND2-OG 3.15Å; N78-N501 PolarHBondContact ND2-N 3.37Å; N78-L504 HydrophobicContact CB-CD1 4.47Å
79L88.1Confident92.9Very high57 Ų5730.9 Ų30.930%0.29816%0.163SC..Iπ-helixtrans-72.7-29.1177.8-85.1165.4000114.5T65 F67 D75 Y77 L504T65-L79 HydrophobicContact CG2-CD1 4.23Å; F67-L79 HydrophobicContact CE1-CD1 3.77Å; F67-L79 HydrophobicContact CZ-CB 4.01Å; F67-L79 HydrophobicContact CZ-CD1 4.02Å; D75-L79 WeakPolarHBondContact O-CB 3.48Å; D75-L79 PolarHBondContact O-N 3.46Å; D75-L79 VanDerWaalsContact O-N 3.11Å; Y77-L79 PolarHBondContact O-N 2.91Å; L79-L504 HydrophobicContact CD1-CD1 3.81Å; L79-L504 HydrophobicContact CD1-CD2 4.22Å; L79-L504 HydrophobicContact CD1-CG 4.38Å; L79-L504 HydrophobicContact CD2-CD2 3.71Å; L79-L504 HydrophobicContact CG-CD1 3.8Å; L79-L504 HydrophobicContact CG-CD2 3.61Å; L79-L504 HydrophobicContact CG-CG 4.23Å
80T89.2Confident92.9Very high7 Ų732.7 Ų32.74%0.04317%0.166CC..Iπ-helixtrans-123.6-43.5-162.277.10000114.2V18 F67 V76 Y77 M317V18-T80 HydrophobicContact CB-CG2 4.18Å; V18-T80 HydrophobicContact CG1-CG2 3.76Å; V18-T80 HydrophobicContact CG2-CG2 4.05Å; F67-T80 HydrophobicContact CE2-CG2 3.56Å; F67-T80 HydrophobicContact CZ-CG2 3.54Å; V76-T80 WeakPolarHBondContact O-CB 3.3Å; V76-T80 VanDerWaalsContact O-CG2 3.32Å; V76-T80 WeakPolarHBondContact O-CG2 3.29Å; V76-T80 PolarHBondContact O-N 2.86Å; V76-T80 PolarHBondContact O-OG1 3.23Å; Y77-T80 PolarHBondContact O-N 3.43Å; T80-M317 WeakPolarHBondContact OG1-CE 3.47Å
81A93.9Very high92.9Very high0 Ų025.5 Ų25.50%013%0.128CC..Iπ-helixtrans-91-46-175.700000111.1Y77 I84 I85 I96 I122Y77-A81 HydrophobicContact CD2-CB 3.56Å; Y77-A81 HydrophobicContact CE2-CB 3.67Å; Y77-A81 HydrophobicContact CG-CB 4.3Å; Y77-A81 WeakPolarHBondContact O-CA 3.24Å; Y77-A81 WeakPolarHBondContact O-CB 3.43Å; Y77-A81 PolarHBondContact O-N 3.45Å; A81-I84 WeakPolarHBondContact O-CA 3.41Å; A81-I84 WeakPolarHBondContact O-CB 3.39Å; A81-I84 PolarHBondContact O-N 3.17Å; A81-I85 HydrophobicContact CB-CD1 3.98Å; A81-I85 WeakPolarHBondContact O-CD1 3.37Å; A81-I85 PolarHBondContact O-N 3.37Å; A81-I96 HydrophobicContact CB-CD1 3.68Å; A81-I122 HydrophobicContact CB-CD1 4.41Å; A81-I122 HydrophobicContact CB-CG1 4.22Å; A81-I122 HydrophobicContact CB-CG2 3.72Å
82R94.2Very high93Very high53 Ų5327.1 Ų27.120%0.213%0.132CC..Hα-helixtrans-46.9-51.2-174.4-162.8-173.3-177.6-159.22.1113.2Y77 I84 I85 D86 H129 N501Y77-R82 HydrophobicContact CD1-CB 4.38Å; Y77-R82 HydrophobicContact CE1-CB 3.99Å; Y77-R82 HydrophobicContact CE1-CG 4.21Å; Y77-R82 PolarHBondContact O-N 2.89Å; R82-I84 PolarHBondContact O-N 3.4Å; R82-I84 VanDerWaalsContact O-N 3.14Å; R82-I85 WeakPolarHBondContact O-CA 3.29Å; R82-I85 PolarHBondContact O-N 2.98Å; R82-D86 VanDerWaalsContact C-OD2 3.28Å; R82-D86 VanDerWaalsContact O-CG 3.23Å; R82-D86 PolarHBondContact O-N 2.95Å; R82-H129 WeakPolarHBondContact CG-CE1 3.45Å; R82-N501 PolarHBondContact NH1-ND2 2.87Å; R82-N501 PolarHBondContact NH1-OD1 2.96Å
83P93.3Very high93.1Very high49 Ų4921.8 Ų21.832%0.31811%0.11SC..Hα-helixtrans-65-23-179.5-20.134.2000114.7D86 S87P83-D86 WeakPolarHBondContact CA-OD2 3.25Å; P83-S87 WeakPolarHBondContact O-CB 3.47Å; P83-S87 PolarHBondContact O-N 2.79Å; P83-S87 PolarHBondContact O-OG 2.83Å
84I95.6Very high93.2Very high4 Ų421.5 Ų21.52%0.02111%0.108CC..Hα-helixtrans-79-39.6173.8-54.5-62.5000110A81 R82 S87 V88 I96 L246 K315 M317A81-I84 WeakPolarHBondContact O-CA 3.41Å; A81-I84 WeakPolarHBondContact O-CB 3.39Å; A81-I84 PolarHBondContact O-N 3.17Å; R82-I84 PolarHBondContact O-N 3.4Å; R82-I84 VanDerWaalsContact O-N 3.14Å; I84-S87 PolarHBondContact O-N 2.69Å; I84-V88 WeakPolarHBondContact O-CG2 3.38Å; I84-V88 PolarHBondContact O-N 3.02Å; I84-I96 HydrophobicContact CB-CD1 4.28Å; I84-I96 HydrophobicContact CB-CG1 4.42Å; I84-I96 HydrophobicContact CG2-CD1 4.37Å; I84-I96 HydrophobicContact CG2-CG1 4.15Å; I84-L246 HydrophobicContact CG2-CD1 4.16Å; I84-K315 HydrophobicContact CD1-CB 3.98Å; I84-M317 HydrophobicContact CG1-CB 4.33Å
85I95.8Very high93.5Very high1 Ų120.6 Ų20.61%0.00510%0.103CC..Hα-helixtrans-64.1-46174.4-76.673.8000110.1Y77 A81 R82 S87 V88 L89 I96 H129 I130 L246Y77-I85 HydrophobicContact CE2-CD1 4.32Å; A81-I85 HydrophobicContact CB-CD1 3.98Å; A81-I85 WeakPolarHBondContact O-CD1 3.37Å; A81-I85 PolarHBondContact O-N 3.37Å; R82-I85 WeakPolarHBondContact O-CA 3.29Å; R82-I85 PolarHBondContact O-N 2.98Å; I85-S87 VanDerWaalsContact C-N 3.3Å; I85-S87 PolarHBondContact O-N 3.43Å; I85-V88 PolarHBondContact O-N 2.85Å; I85-L89 HydrophobicContact CG2-CD1 3.91Å; I85-L89 HydrophobicContact CG2-CG 4.46Å; I85-L89 WeakPolarHBondContact O-CG 3.47Å; I85-L89 PolarHBondContact O-N 3.33Å; I85-I96 HydrophobicContact CD1-CD1 3.91Å; I85-H129 VanDerWaalsContact CG2-ND1 3.34Å; I85-H129 WeakPolarHBondContact CG2-ND1 3.47Å; I85-I130 HydrophobicContact CG2-CG1 3.83Å; I85-L246 HydrophobicContact CD1-CD2 4.2Å; I85-L246 HydrophobicContact CG1-CD2 3.9Å
86D94.3Very high93.9Very high51 Ų5119.8 Ų19.827%0.27310%0.099SC..Hα-helixtrans-53.4-48.9175.4-61.2-40.2000110.8R82 P83 V88 L89 E90 H129R82-D86 VanDerWaalsContact C-OD2 3.28Å; R82-D86 VanDerWaalsContact O-CG 3.23Å; R82-D86 PolarHBondContact O-N 2.95Å; P83-D86 WeakPolarHBondContact CA-OD2 3.25Å; D86-V88 VanDerWaalsContact C-N 3.29Å; D86-V88 PolarHBondContact O-N 3.43Å; D86-L89 WeakPolarHBondContact O-CB 3.5Å; D86-L89 PolarHBondContact O-N 3.04Å; D86-L89 VanDerWaalsContact O-N 3.13Å; D86-E90 WeakPolarHBondContact O-CG 3.41Å; D86-E90 PolarHBondContact O-N 2.89Å; D86-H129 IonicContact OD1-CE1 2.74Å; D86-H129 PolarHBondContact OD1-CE1 3.32Å; D86-H129 IonicContact OD1-NE2 3.47Å
87S94.6Very high94Very high12 Ų1219.8 Ų19.88%0.08410%0.099CC..Hα-helixtrans-61.9-33.9176.7-60.20000113.3P83 I84 I85 E90 G91 Y92 K315P83-S87 WeakPolarHBondContact O-CB 3.47Å; P83-S87 PolarHBondContact O-N 2.79Å; P83-S87 PolarHBondContact O-OG 2.83Å; I84-S87 PolarHBondContact O-N 2.69Å; I85-S87 VanDerWaalsContact C-N 3.3Å; I85-S87 PolarHBondContact O-N 3.43Å; S87-E90 WeakPolarHBondContact O-CB 3.5Å; S87-E90 PolarHBondContact O-N 3.17Å; S87-G91 PolarHBondContact O-N 2.84Å; S87-Y92 VanDerWaalsContact O-CB 3.26Å; S87-Y92 WeakPolarHBondContact O-CB 3.45Å; S87-Y92 WeakPolarHBondContact O-CD2 3.35Å; S87-Y92 PolarHBondContact O-N 3.17Å; S87-K315 WeakPolarHBondContact OG-CD 3.28Å; S87-K315 PolarHBondContact OG-NZ 2.86Å
88V95.9Very high94.1Very high1 Ų119.8 Ų19.81%0.00610%0.099CC..Hα-helixtrans-71.8-35.6176.4172.40000111I84 I85 D86 E90 G91 Y92 I228 G244 L246I84-V88 WeakPolarHBondContact O-CG2 3.38Å; I84-V88 PolarHBondContact O-N 3.02Å; I85-V88 PolarHBondContact O-N 2.85Å; D86-V88 VanDerWaalsContact C-N 3.29Å; D86-V88 PolarHBondContact O-N 3.43Å; V88-E90 VanDerWaalsContact C-N 3.31Å; V88-E90 PolarHBondContact O-N 3.41Å; V88-G91 WeakPolarHBondContact O-CA 3.43Å; V88-G91 PolarHBondContact O-N 3.04Å; V88-Y92 WeakPolarHBondContact CA-O 3.46Å; V88-I228 HydrophobicContact CG1-CD1 4.1Å; V88-I228 HydrophobicContact CG1-CG1 4.47Å; V88-G244 WeakPolarHBondContact O-CA 3.48Å; V88-L246 HydrophobicContact CB-CB 4.5Å; V88-L246 HydrophobicContact CG1-CB 4.05Å; V88-L246 HydrophobicContact CG2-CB 4.05Å; V88-L246 HydrophobicContact CG2-CD1 4.24Å
89L92.9Very high94.3Very high8 Ų820.2 Ų20.24%0.04210%0.1CC..Hα-helixtrans-64.8-35.3173.9-67161.1000111.6I85 D86 G91 I130 H133 I228I85-L89 HydrophobicContact CG2-CD1 3.91Å; I85-L89 HydrophobicContact CG2-CG 4.46Å; I85-L89 WeakPolarHBondContact O-CG 3.47Å; I85-L89 PolarHBondContact O-N 3.33Å; D86-L89 WeakPolarHBondContact O-CB 3.5Å; D86-L89 PolarHBondContact O-N 3.04Å; D86-L89 VanDerWaalsContact O-N 3.13Å; L89-G91 PolarHBondContact O-N 2.93Å; L89-I130 HydrophobicContact CD2-CG2 4.38Å; L89-H133 HydrophobicContact CD1-CB 3.83Å; L89-H133 HydrophobicContact CD2-CB 4.48Å; L89-I228 HydrophobicContact CD2-CD1 3.79Å; L89-I228 HydrophobicContact CG-CD1 4.48Å
90E91.3Very high94.5Very high98 Ų9817.5 Ų17.546%0.4589%0.086SC..THydrogen-bonded Turntrans-65.5-19.8169.7-66.9170.5173.100113.7D86 S87 V88 Y92 R242D86-E90 WeakPolarHBondContact O-CG 3.41Å; D86-E90 PolarHBondContact O-N 2.89Å; S87-E90 WeakPolarHBondContact O-CB 3.5Å; S87-E90 PolarHBondContact O-N 3.17Å; V88-E90 VanDerWaalsContact C-N 3.31Å; V88-E90 PolarHBondContact O-N 3.41Å; E90-Y92 HydrophobicContact CB-CD2 4.17Å; E90-Y92 HydrophobicContact CB-CE2 4.45Å; E90-Y92 WeakPolarHBondContact OE2-CE2 3.22Å; E90-R242 WeakPolarHBondContact O-CD 3.38Å; E90-R242 PolarHBondContact O-NE 2.88Å
91G92.2Very high94.5Very high1 Ų118.3 Ų18.31%0.019%0.09CC..THydrogen-bonded Turntrans106.713.3-179.700000115.8S87 V88 L89 N352S87-G91 PolarHBondContact O-N 2.84Å; V88-G91 WeakPolarHBondContact O-CA 3.43Å; V88-G91 PolarHBondContact O-N 3.04Å; L89-G91 PolarHBondContact O-N 2.93Å; G91-N352 PolarHBondContact O-N 3.24Å; G91-N352 PolarHBondContact O-ND2 3.24Å
92Y94.4Very high94.3Very high49 Ų4920.3 Ų20.319%0.19210%0.102CC..BIsolated β-bridgetrans-76.5159.4168-69-92000111.7S87 V88 E90 G244 K245 A349 R350 I351S87-Y92 VanDerWaalsContact O-CB 3.26Å; S87-Y92 WeakPolarHBondContact O-CB 3.45Å; S87-Y92 WeakPolarHBondContact O-CD2 3.35Å; S87-Y92 PolarHBondContact O-N 3.17Å; V88-Y92 WeakPolarHBondContact CA-O 3.46Å; E90-Y92 HydrophobicContact CB-CD2 4.17Å; E90-Y92 HydrophobicContact CB-CE2 4.45Å; E90-Y92 WeakPolarHBondContact OE2-CE2 3.22Å; Y92-G244 VanDerWaalsContact O-CA 3.3Å; Y92-G244 WeakPolarHBondContact O-CA 3.4Å; Y92-K245 PolarHBondContact O-N 2.92Å; Y92-A349 HydrophobicContact CD1-CB 3.94Å; Y92-A349 HydrophobicContact CE1-CB 4.28Å; Y92-R350 WeakPolarHBondContact CD1-O 3.42Å; Y92-I351 HydrophobicContact CD1-CG1 4.33Å; Y92-I351 HydrophobicContact CD2-CG1 3.9Å; Y92-I351 HydrophobicContact CE1-CG1 3.99Å; Y92-I351 HydrophobicContact CE2-CD1 4.03Å; Y92-I351 HydrophobicContact CE2-CG1 3.5Å; Y92-I351 HydrophobicContact CG-CG1 4.29Å
93N94.9Very high94Very high16 Ų1620.3 Ų20.39%0.08612%0.119CC..EExtended strand (participates in β ladder)trans-76.1141.9158.5-66.2-28.8000109.9K245 N313 S314 K315 N352N93-K245 CarbonylContact C-O 3.58Å; N93-K245 WeakPolarHBondContact CA-O 3.27Å; N93-K245 WeakPolarHBondContact OD1-CB 3.46Å; N93-N313 VanDerWaalsContact CB-O 3.24Å; N93-N313 WeakPolarHBondContact CB-O 3.46Å; N93-N313 PolarHBondContact ND2-ND2 2.98Å; N93-N313 PolarHBondContact ND2-O 3.32Å; N93-S314 WeakPolarHBondContact O-CA 3.37Å; N93-S314 PolarHBondContact O-OG 2.81Å; N93-K315 PolarHBondContact O-N 2.86Å; N93-N352 PolarHBondContact OD1-ND2 2.89Å
94G96.4Very high93.9Very high0 Ų018.1 Ų18.10%010%0.104CC..EExtended strand (participates in β ladder)trans-131.6144.4176.800000111.5K245 L246 H247 K315G94-K245 PolarHBondContact N-O 2.84Å; G94-L246 WeakPolarHBondContact O-CA 3.33Å; G94-H247 PolarHBondContact O-N 3.26Å; G94-K315 VanDerWaalsContact CA-O 3.32Å; G94-K315 WeakPolarHBondContact CA-O 3.35Å
95T97.3Very high93.8Very high1 Ų118.7 Ų18.71%0.00611%0.111CC..EExtended strand (participates in β ladder)trans-139127.8174.1-56.60000110.8F97 H247 L306 S309 S314 K315 T316 M317T95-F97 HydrophobicContact CG2-CD1 4.3Å; T95-H247 WeakPolarHBondContact CA-O 3.3Å; T95-H247 HydrophobicContact CG2-CB 4.04Å; T95-L306 HydrophobicContact CG2-CD2 4.3Å; T95-S309 WeakPolarHBondContact CB-OG 3.49Å; T95-S309 WeakPolarHBondContact CG2-OG 3.46Å; T95-S309 PolarHBondContact OG1-OG 2.92Å; T95-S314 PolarHBondContact N-OG 2.84Å; T95-S314 PolarHBondContact OG1-OG 3.45Å; T95-K315 PolarHBondContact N-O 3.25Å; T95-T316 HydrophobicContact CG2-CG2 4.32Å; T95-T316 CarbonylContact O-C 3.53Å; T95-T316 WeakPolarHBondContact O-CA 3.29Å; T95-M317 PolarHBondContact O-N 2.89Å
96I97.8Very high93.7Very high0 Ų019.2 Ų19.20%011%0.114CC..EExtended strand (participates in β ladder)trans-121.5121.3173.4-60.1176.8000107.6A81 I84 I85 M110 I122 L246 H247 L248 V249 M317A81-I96 HydrophobicContact CB-CD1 3.68Å; I84-I96 HydrophobicContact CB-CD1 4.28Å; I84-I96 HydrophobicContact CB-CG1 4.42Å; I84-I96 HydrophobicContact CG2-CD1 4.37Å; I84-I96 HydrophobicContact CG2-CG1 4.15Å; I85-I96 HydrophobicContact CD1-CD1 3.91Å; I96-M110 HydrophobicContact CG2-CE 4.24Å; I96-M110 HydrophobicContact CG2-SD 4.19Å; I96-I122 HydrophobicContact CD1-CG2 4Å; I96-I122 HydrophobicContact CG2-CD1 4.1Å; I96-I122 HydrophobicContact CG2-CG2 4.36Å; I96-L246 HydrophobicContact CD1-CD1 4.5Å; I96-H247 PolarHBondContact N-O 2.97Å; I96-L248 HydrophobicContact CB-CD2 3.94Å; I96-L248 HydrophobicContact CD1-CD2 4.02Å; I96-L248 HydrophobicContact CG1-CD2 4.3Å; I96-V249 PolarHBondContact O-N 3.35Å; I96-M317 WeakPolarHBondContact CA-O 3.47Å; I96-M317 HydrophobicContact CB-CE 4.24Å; I96-M317 HydrophobicContact CD1-CE 4.17Å; I96-M317 HydrophobicContact CG1-CE 4.02Å; I96-M317 HydrophobicContact CG2-CE 3.39Å; I96-M317 HydrophobicContact CG2-SD 4.22Å
97F96Very high93.6Very high2 Ų219.3 Ų19.31%0.00912%0.116CC..EExtended strand (participates in β ladder)trans-130.7134.5177.768.6-90.4000113.3T95 V249 L251 L310 T316 M317 M318 C319T95-F97 HydrophobicContact CG2-CD1 4.3Å; F97-V249 WeakPolarHBondContact CA-O 3.46Å; F97-V249 HydrophobicContact CB-CB 3.66Å; F97-V249 HydrophobicContact CB-CG1 4.16Å; F97-V249 HydrophobicContact CB-CG2 4.29Å; F97-L251 HydrophobicContact CD2-CD1 3.81Å; F97-L251 HydrophobicContact CE2-CD1 4.46Å; F97-L310 HydrophobicContact CE1-CD2 4.39Å; F97-L310 HydrophobicContact CZ-CD2 4.45Å; F97-T316 HydrophobicContact CD1-CG2 4.09Å; F97-T316 HydrophobicContact CE1-CG2 3.69Å; F97-M317 PolarHBondContact N-O 2.94Å; F97-M318 HydrophobicContact CD2-CB 4.43Å; F97-M318 HydrophobicContact CD2-CG 4.12Å; F97-M318 HydrophobicContact CE1-CB 3.97Å; F97-M318 HydrophobicContact CE2-CB 3.81Å; F97-M318 HydrophobicContact CE2-CG 3.46Å; F97-M318 VanDerWaalsContact CE2-CG 3.46Å; F97-M318 HydrophobicContact CE2-SD 3.96Å; F97-M318 HydrophobicContact CZ-CB 3.56Å; F97-M318 HydrophobicContact CZ-CG 3.72Å; F97-M318 HydrophobicContact CZ-SD 4.14Å; F97-C319 PolarHBondContact O-N 2.92Å
98A96.1Very high93.6Very high0 Ų022.7 Ų22.70%013%0.129CC..EExtended strand (participates in β ladder)trans-93.2132.1173.300000111K106 M110 V249 L251 C319A98-K106 HydrophobicContact CB-CB 3.84Å; A98-K106 HydrophobicContact CB-CG 4.19Å; A98-M110 HydrophobicContact CB-CG 3.6Å; A98-M110 HydrophobicContact CB-SD 3.92Å; A98-V249 PolarHBondContact N-O 3.04Å; A98-L251 VanDerWaalsContact O-CB 3.31Å; A98-L251 WeakPolarHBondContact O-CB 3.38Å; A98-L251 WeakPolarHBondContact O-CG 3.34Å; A98-L251 PolarHBondContact O-N 2.89Å; A98-C319 CarbonylContact C-O 3.59Å; A98-C319 WeakPolarHBondContact CA-O 3.35Å
99Y95.2Very high93.6Very high15 Ų1522.7 Ų22.76%0.05913%0.129CC..EExtended strand (participates in β ladder)trans-135.5147.4-176.1178.2-87.3000111.4L251 L277 M318 C319 A320 N321 T335 Y338Y99-L251 HydrophobicContact CD2-CD1 3.85Å; Y99-L277 HydrophobicContact CD2-CD2 4.43Å; Y99-L277 HydrophobicContact CE2-CD2 4.18Å; Y99-M318 HydrophobicContact CD1-CE 3.49Å; Y99-M318 VanDerWaalsContact CD1-CE 3.49Å; Y99-M318 HydrophobicContact CE1-CE 4.33Å; Y99-M318 HydrophobicContact CG-CE 3.68Å; Y99-C319 PolarHBondContact N-O 2.68Å; Y99-A320 CarbonylContact O-C 3.46Å; Y99-A320 WeakPolarHBondContact O-CA 3.18Å; Y99-N321 PolarHBondContact O-N 3.27Å; Y99-T335 HydrophobicContact CD1-CG2 4.1Å; Y99-T335 HydrophobicContact CE1-CG2 4.21Å; Y99-Y338 HydrophobicContact CD1-CD1 4.23Å; Y99-Y338 HydrophobicContact CD2-CE1 4.22Å; Y99-Y338 AromaticContact CE1-CD1 3.86Å; Y99-Y338 HydrophobicContact CE1-CD1 3.86Å; Y99-Y338 HydrophobicContact CE1-CD2 4.43Å; Y99-Y338 HydrophobicContact CE1-CE1 4.35Å; Y99-Y338 AromaticContact CE1-CG 3.89Å; Y99-Y338 HydrophobicContact CE1-CG 3.89Å; Y99-Y338 HydrophobicContact CE2-CD1 4.23Å; Y99-Y338 AromaticContact CE2-CE1 3.9Å; Y99-Y338 HydrophobicContact CE2-CE1 3.9Å; Y99-Y338 HydrophobicContact CE2-CE2 4.26Å; Y99-Y338 AromaticContact CE2-CZ 3.91Å; Y99-Y338 AromaticContact CZ-CD1 3.85Å; Y99-Y338 AromaticContact CZ-CD2 3.91Å; Y99-Y338 AromaticContact CZ-CE1 3.97Å; Y99-Y338 AromaticContact CZ-CG 3.8Å; Y99-Y338 WeakPolarHBondContact OH-CD2 3.46Å
100G93.3Very high93.7Very high0 Ų022.4 Ų22.40%013%0.128CC..SBendtrans140.8-178.5176.700000112.9K106 S254G100-K106 PolarHBondContact O-NZ 2.67Å; G100-S254 WeakPolarHBondContact CA-OG 3.3Å; G100-S254 PolarHBondContact O-N 3.29Å; G100-S254 PolarHBondContact O-OG 2.9Å
101Q90.2Very high93.8Very high24 Ų2419 Ų1911%0.11211%0.112CC..SBendtrans-61.4153.6-178.2-179-166.528.100111.9G103 T104 K106 S254 E255 N328 E331Q101-G103 PolarHBondContact O-N 3.16Å; Q101-T104 HydrophobicContact CB-CG2 3.71Å; Q101-T104 PolarHBondContact O-N 2.71Å; Q101-T104 PolarHBondContact O-OG1 3.03Å; Q101-K106 PolarHBondContact O-NZ 3.17Å; Q101-S254 PolarHBondContact N-OG 3.2Å; Q101-S254 VanDerWaalsContact N-OG 3.1Å; Q101-E255 WeakPolarHBondContact CA-OE2 3.27Å; Q101-E255 HydrophobicContact CG-CB 4.3Å; Q101-N328 PolarHBondContact NE2-OD1 2.87Å; Q101-N328 PolarHBondContact OE1-OD1 3.46Å; Q101-E331 HydrophobicContact CB-CB 4.26Å; Q101-E331 HydrophobicContact CG-CB 4.39Å; Q101-E331 HydrophobicContact CG-CG 4.39Å
102T88.3Confident93.8Very high41 Ų4119.9 Ų19.925%0.25212%0.121SC..THydrogen-bonded Turntrans-56135.8168.6-67.80000111.4T104 S218 G253 E255T102-T104 VanDerWaalsContact C-N 3.34Å; T102-T104 PolarHBondContact O-N 2.84Å; T102-S218 VanDerWaalsContact OG1-CB 3.29Å; T102-S218 WeakPolarHBondContact OG1-CB 3.33Å; T102-G253 WeakPolarHBondContact OG1-CA 3.26Å; T102-E255 WeakPolarHBondContact CB-OE1 3.32Å; T102-E255 PolarHBondContact N-OE2 3.02Å; T102-E255 PolarHBondContact OG1-OE1 3.32Å; T102-E255 PolarHBondContact OG1-OE2 3.36Å
103G87.8Confident93.6Very high54 Ų5420.5 Ų20.556%0.55713%0.13SC*.THydrogen-bonded Turntrans76.77.2-178.200000115.9R22 Q101R22-G103 PolarHBondContact NE-O 3.41Å; R22-G103 PolarHBondContact NH2-O 3.32Å; Q101-G103 PolarHBondContact O-N 3.16Å
104T92.5Very high93Very high2 Ų222.1 Ų22.11%0.01213%0.134CC..SBendtrans-82.8-14.4172.2620000114.3R22 Q101 T102 N321R22-T104 WeakPolarHBondContact CG-O 3.35Å; Q101-T104 HydrophobicContact CB-CG2 3.71Å; Q101-T104 PolarHBondContact O-N 2.71Å; Q101-T104 PolarHBondContact O-OG1 3.03Å; T102-T104 VanDerWaalsContact C-N 3.34Å; T102-T104 PolarHBondContact O-N 2.84Å; T104-N321 WeakPolarHBondContact CB-O 3.35Å; T104-N321 VanDerWaalsContact OG1-CB 3.26Å; T104-N321 WeakPolarHBondContact OG1-CB 3.5Å; T104-N321 PolarHBondContact OG1-O 3.2Å
105G92.9Very high92.3Very high17 Ų1726.5 Ų26.518%0.17517%0.171CC..SBendtrans114.523174.100000116.4F108 T109G105-F108 PolarHBondContact O-N 2.84Å; G105-T109 WeakPolarHBondContact O-CB 3.32Å; G105-T109 PolarHBondContact O-N 3.4Å; G105-T109 PolarHBondContact O-OG1 2.9Å
106K94.1Very high91.8Very high12 Ų1229.3 Ų29.35%0.05219%0.188CC..Hα-helixtrans-53.2-65.4174.2-60.3-172.3-66.9-730112.7A98 G100 Q101 F108 T109 M110 D250 L251 A252 N321A98-K106 HydrophobicContact CB-CB 3.84Å; A98-K106 HydrophobicContact CB-CG 4.19Å; G100-K106 PolarHBondContact O-NZ 2.67Å; Q101-K106 PolarHBondContact O-NZ 3.17Å; K106-F108 PolarHBondContact O-N 3.32Å; K106-T109 WeakPolarHBondContact O-CA 3.32Å; K106-T109 WeakPolarHBondContact O-CB 3.32Å; K106-T109 PolarHBondContact O-N 3.48Å; K106-M110 PolarHBondContact O-N 3.34Å; K106-D250 VanDerWaalsContact CB-OD1 3.22Å; K106-D250 WeakPolarHBondContact CB-OD1 3.33Å; K106-L251 WeakPolarHBondContact CE-O 3.15Å; K106-A252 WeakPolarHBondContact CE-O 3.5Å; K106-N321 VanDerWaalsContact CA-OD1 3.32Å; K106-N321 WeakPolarHBondContact CA-OD1 3.2Å; K106-N321 HydrophobicContact CG-CB 4.19Å
107T92.2Very high91.2Very high52 Ų5232.1 Ų32.132%0.31921%0.206SC..Hα-helixtrans-59.6-31.5176.3-40.30000112.9T109 E111 G112 D250T107-T109 VanDerWaalsContact C-N 3.35Å; T107-E111 HydrophobicContact CG2-CB 4.4Å; T107-E111 WeakPolarHBondContact O-CA 3.48Å; T107-E111 WeakPolarHBondContact O-CB 3.47Å; T107-E111 PolarHBondContact O-N 3.27Å; T107-G112 PolarHBondContact O-N 3.43Å; T107-G112 VanDerWaalsContact O-N 3.13Å; T107-D250 WeakPolarHBondContact CB-OD2 3.45Å; T107-D250 PolarHBondContact N-OD1 2.72Å; T107-D250 PolarHBondContact OG1-OD2 3.36Å
108F94.4Very high90.7Very high83 Ų8339 Ų3936%0.36424%0.239SC..Hα-helixtrans-67.7-34.1172.8179.6-98.9000112.4Q73 G105 K106 G112 V113 L119Q73-F108 HydrophobicContact CG-CE1 4.44Å; Q73-F108 HydrophobicContact CG-CZ 4.32Å; Q73-F108 PolarHBondContact NE2-O 2.91Å; G105-F108 PolarHBondContact O-N 2.84Å; K106-F108 PolarHBondContact O-N 3.32Å; F108-G112 WeakPolarHBondContact O-CA 3.39Å; F108-G112 PolarHBondContact O-N 3.15Å; F108-G112 VanDerWaalsContact O-N 3.14Å; F108-V113 HydrophobicContact CE2-CG2 4.29Å; F108-L119 HydrophobicContact CZ-CD2 4.46Å
109T96.2Very high90.5Very high2 Ų242.3 Ų42.31%0.01226%0.256CS..Hα-helixtrans-75.8-41175.7-55.20000111.2R20 V76 G105 K106 T107 G121 I122 N321R20-T109 PolarHBondContact NH1-OG1 2.8Å; V76-T109 HydrophobicContact CG1-CG2 4.26Å; G105-T109 WeakPolarHBondContact O-CB 3.32Å; G105-T109 PolarHBondContact O-N 3.4Å; G105-T109 PolarHBondContact O-OG1 2.9Å; K106-T109 WeakPolarHBondContact O-CA 3.32Å; K106-T109 WeakPolarHBondContact O-CB 3.32Å; K106-T109 PolarHBondContact O-N 3.48Å; T107-T109 VanDerWaalsContact C-N 3.35Å; T109-G121 WeakPolarHBondContact O-CA 3.49Å; T109-I122 HydrophobicContact CG2-CD1 3.92Å; T109-I122 PolarHBondContact O-N 2.82Å; T109-N321 PolarHBondContact OG1-ND2 3.38Å
110M95.3Very high90.4Very high1 Ų144.2 Ų44.21%0.00526%0.263CS..Hα-helixtrans-75.1-52.2-179.3-63.5-56.1-67.800112.7I96 A98 K106 G121 I122 I123 L248 D250I96-M110 HydrophobicContact CG2-CE 4.24Å; I96-M110 HydrophobicContact CG2-SD 4.19Å; A98-M110 HydrophobicContact CB-CG 3.6Å; A98-M110 HydrophobicContact CB-SD 3.92Å; K106-M110 PolarHBondContact O-N 3.34Å; M110-G121 CarbonylContact O-C 3.45Å; M110-I122 PolarHBondContact O-N 2.86Å; M110-I122 HydrophobicContact SD-CD1 4.36Å; M110-I123 HydrophobicContact CB-CD1 3.9Å; M110-I123 HydrophobicContact CB-CG1 4.39Å; M110-I123 HydrophobicContact CE-CD1 4.27Å; M110-I123 HydrophobicContact CE-CG1 4.17Å; M110-I123 WeakPolarHBondContact O-CB 3.47Å; M110-I123 VanDerWaalsContact O-CG1 3.27Å; M110-I123 WeakPolarHBondContact O-CG1 3.05Å; M110-I123 PolarHBondContact O-N 3.49Å; M110-L248 HydrophobicContact CE-CB 3.91Å; M110-D250 HydrophobicContact CG-CB 4.28Å
111E92.8Very high90.5Very high27 Ų2744.3 Ų44.313%0.12626%0.263CS..THydrogen-bonded Turntrans-103.3-43-175.8-174.4169.2178.400112.6T107 R114 G121 M199 H203T107-E111 HydrophobicContact CG2-CB 4.4Å; T107-E111 WeakPolarHBondContact O-CA 3.48Å; T107-E111 WeakPolarHBondContact O-CB 3.47Å; T107-E111 PolarHBondContact O-N 3.27Å; E111-R114 HydrophobicContact CG-CG 3.84Å; E111-R114 WeakPolarHBondContact OE1-CD 3.43Å; E111-R114 IonicContact OE1-NH1 2.72Å; E111-G121 PolarHBondContact O-N 3Å; E111-M199 HydrophobicContact CB-CE 4Å; E111-M199 HydrophobicContact CG-CE 3.63Å; E111-H203 IonicContact OE2-CD2 3.66Å
112G92Very high90.8Very high19 Ų1943.3 Ų43.320%0.19626%0.259CS..BIsolated β-bridgetrans68.1-151-177.800000113.3T107 F108 L119T107-G112 PolarHBondContact O-N 3.43Å; T107-G112 VanDerWaalsContact O-N 3.13Å; F108-G112 WeakPolarHBondContact O-CA 3.39Å; F108-G112 PolarHBondContact O-N 3.15Å; F108-G112 VanDerWaalsContact O-N 3.14Å; G112-L119 CarbonylContact C-O 3.55Å; G112-L119 WeakPolarHBondContact CA-O 3.46Å
113V89.1Confident91.1Very high63 Ų6341.8 Ų41.838%0.38225%0.249SC..  trans-105.289.2174.8-175.60000108.5F108 A115 V116 L119F108-V113 HydrophobicContact CE2-CG2 4.29Å; V113-A115 PolarHBondContact O-N 3.31Å; V113-V116 HydrophobicContact CG1-CB 4.31Å; V113-V116 HydrophobicContact CG1-CG2 4.05Å; V113-V116 PolarHBondContact O-N 2.74Å; V113-V116 VanDerWaalsContact O-O 3.14Å; V113-L119 HydrophobicContact CB-CB 3.81Å; V113-L119 HydrophobicContact CB-CD1 4.27Å; V113-L119 HydrophobicContact CG2-CB 4.26Å; V113-L119 HydrophobicContact CG2-CD1 4.24Å; V113-L119 PolarHBondContact N-O 3.43Å
114R82.6Confident91.4Very high49 Ų4939.5 Ų39.519%0.18523%0.225CC..THydrogen-bonded Turntrans-53.8-29.6-170.6-70.2173.861.8-143.5-7.6115.4E111 V116 R120 P124 D196 T200E111-R114 HydrophobicContact CG-CG 3.84Å; E111-R114 WeakPolarHBondContact OE1-CD 3.43Å; E111-R114 IonicContact OE1-NH1 2.72Å; R114-V116 VanDerWaalsContact C-N 3.33Å; R114-R120 PolarHBondContact O-NE 3.44Å; R114-P124 HydrophobicContact CG-CG 4.33Å; R114-D196 IonicContact CZ-OD1 2.68Å; R114-D196 VanDerWaalsContact CZ-OD1 3.24Å; R114-D196 IonicContact NE-OD1 2.72Å; R114-D196 PolarHBondContact NE-OD1 2.95Å; R114-D196 PolarHBondContact NH2-O 3Å; R114-D196 IonicContact NH2-OD1 2.85Å; R114-D196 PolarHBondContact NH2-OD1 3.5Å; R114-D196 IonicContact NH2-OD2 3.99Å; R114-T200 PolarHBondContact NH1-OG1 3.47Å; R114-T200 PolarHBondContact NH2-OG1 3.13Å
115A82.8Confident91.5Very high93 Ų9339.4 Ų39.477%0.76922%0.224SC*.THydrogen-bonded Turntrans-76.6-11.7178.600000114.8V113V113-A115 PolarHBondContact O-N 3.31Å
116V86.8Confident91.6Very high59 Ų5938.6 Ų38.636%0.35822%0.216SC..SBendtrans-118.9109.9-179.2177.60000108.3V113 R114 E118 L119 R120V113-V116 HydrophobicContact CG1-CB 4.31Å; V113-V116 HydrophobicContact CG1-CG2 4.05Å; V113-V116 PolarHBondContact O-N 2.74Å; V113-V116 VanDerWaalsContact O-O 3.14Å; R114-V116 VanDerWaalsContact C-N 3.33Å; V116-E118 VanDerWaalsContact C-N 3.31Å; V116-E118 PolarHBondContact O-N 2.8Å; V116-L119 HydrophobicContact CB-CB 4.07Å; V116-L119 HydrophobicContact CB-CD1 4.21Å; V116-L119 HydrophobicContact CB-CG 4.28Å; V116-L119 HydrophobicContact CG1-CB 4.07Å; V116-L119 HydrophobicContact CG1-CD1 3.94Å; V116-L119 HydrophobicContact CG1-CG 3.81Å; V116-L119 CarbonylContact O-C 3.58Å; V116-L119 WeakPolarHBondContact O-CA 3.36Å; V116-L119 PolarHBondContact O-N 3.37Å; V116-R120 PolarHBondContact O-N 2.68Å
117P84.6Confident91.6Very high60 Ų6038.1 Ų38.139%0.3921%0.213SC..G310 helixtrans-49-45.1-173.9-33.838.2000115.1L119 R120 Q493P117-L119 PolarHBondContact O-N 3.44Å; P117-R120 WeakPolarHBondContact O-CB 3.38Å; P117-R120 PolarHBondContact O-N 3.31Å; P117-Q493 PolarHBondContact O-NE2 2.83Å
118E86.4Confident91.5Very high147 Ų14736 Ų3669%0.68720%0.201SC*.G310 helixtrans-67.4-21.4179.2-58.7179.7-175.600114.1V116V116-E118 VanDerWaalsContact C-N 3.31Å; V116-E118 PolarHBondContact O-N 2.8Å
119L90.9Very high91.4Very high68 Ų6832.5 Ų32.536%0.35619%0.186SC..G310 helixtrans-105.20.6-176.7-61.4-178.1000113.2Q73 F108 G112 V113 V116 P117 G121Q73-L119 PolarHBondContact NE2-O 2.83Å; F108-L119 HydrophobicContact CZ-CD2 4.46Å; G112-L119 CarbonylContact C-O 3.55Å; G112-L119 WeakPolarHBondContact CA-O 3.46Å; V113-L119 HydrophobicContact CB-CB 3.81Å; V113-L119 HydrophobicContact CB-CD1 4.27Å; V113-L119 HydrophobicContact CG2-CB 4.26Å; V113-L119 HydrophobicContact CG2-CD1 4.24Å; V113-L119 PolarHBondContact N-O 3.43Å; V116-L119 HydrophobicContact CB-CB 4.07Å; V116-L119 HydrophobicContact CB-CD1 4.21Å; V116-L119 HydrophobicContact CB-CG 4.28Å; V116-L119 HydrophobicContact CG1-CB 4.07Å; V116-L119 HydrophobicContact CG1-CD1 3.94Å; V116-L119 HydrophobicContact CG1-CG 3.81Å; V116-L119 CarbonylContact O-C 3.58Å; V116-L119 WeakPolarHBondContact O-CA 3.36Å; V116-L119 PolarHBondContact O-N 3.37Å; P117-L119 PolarHBondContact O-N 3.44Å; L119-G121 PolarHBondContact O-N 2.84Å
120R93.2Very high91.3Very high56 Ų5632.4 Ų32.421%0.21119%0.185CC..BIsolated β-bridgetrans-59.1130.7173.1-77.5176.1171.4179.2-17.8110.8Q73 R114 V116 P117 P124 N125Q73-R120 WeakPolarHBondContact CB-O 3.16Å; R114-R120 PolarHBondContact O-NE 3.44Å; V116-R120 PolarHBondContact O-N 2.68Å; P117-R120 WeakPolarHBondContact O-CB 3.38Å; P117-R120 PolarHBondContact O-N 3.31Å; R120-P124 HydrophobicContact CB-CB 4.35Å; R120-P124 HydrophobicContact CB-CG 3.85Å; R120-P124 HydrophobicContact CG-CB 4.35Å; R120-P124 HydrophobicContact CG-CG 4.21Å; R120-N125 PolarHBondContact O-ND2 3.41Å
121G95.4Very high91.1Very high1 Ų133.5 Ų33.51%0.0119%0.19CC..  trans-79.9-168.8179.100000113.9T109 M110 E111 L119 I123 P124 N125T109-G121 WeakPolarHBondContact O-CA 3.49Å; M110-G121 CarbonylContact O-C 3.45Å; E111-G121 PolarHBondContact O-N 3Å; L119-G121 PolarHBondContact O-N 2.84Å; G121-I123 VanDerWaalsContact C-N 3.35Å; G121-I123 PolarHBondContact O-N 3.35Å; G121-P124 WeakPolarHBondContact O-CD 3.25Å; G121-P124 WeakPolarHBondContact O-CG 3.5Å; G121-N125 WeakPolarHBondContact O-CB 3.16Å; G121-N125 PolarHBondContact O-N 3Å; G121-N125 PolarHBondContact O-ND2 2.69Å
122I96.7Very high90.9Very high4 Ų432.5 Ų32.52%0.02119%0.187CC..Hα-helixtrans-58.6-42.7-178.2-68.6172.9000112.6Y77 A81 I96 T109 M110 S126 L248 M317Y77-I122 HydrophobicContact CD2-CG2 4.46Å; A81-I122 HydrophobicContact CB-CD1 4.41Å; A81-I122 HydrophobicContact CB-CG1 4.22Å; A81-I122 HydrophobicContact CB-CG2 3.72Å; I96-I122 HydrophobicContact CD1-CG2 4Å; I96-I122 HydrophobicContact CG2-CD1 4.1Å; I96-I122 HydrophobicContact CG2-CG2 4.36Å; T109-I122 HydrophobicContact CG2-CD1 3.92Å; T109-I122 PolarHBondContact O-N 2.82Å; M110-I122 PolarHBondContact O-N 2.86Å; M110-I122 HydrophobicContact SD-CD1 4.36Å; I122-S126 WeakPolarHBondContact O-CB 3.49Å; I122-S126 PolarHBondContact O-N 3.31Å; I122-S126 PolarHBondContact O-OG 3.18Å; I122-L248 HydrophobicContact CG2-CD2 4.3Å; I122-M317 HydrophobicContact CD1-CE 4.28Å
123I95.3Very high90.7Very high9 Ų935.3 Ų35.35%0.04619%0.194CC..Hα-helixtrans-62.6-59.7-176.1-60.9167000111.8M110 G121 N125 S126 F127 M199 L248M110-I123 HydrophobicContact CB-CD1 3.9Å; M110-I123 HydrophobicContact CB-CG1 4.39Å; M110-I123 HydrophobicContact CE-CD1 4.27Å; M110-I123 HydrophobicContact CE-CG1 4.17Å; M110-I123 WeakPolarHBondContact O-CB 3.47Å; M110-I123 VanDerWaalsContact O-CG1 3.27Å; M110-I123 WeakPolarHBondContact O-CG1 3.05Å; M110-I123 PolarHBondContact O-N 3.49Å; G121-I123 VanDerWaalsContact C-N 3.35Å; G121-I123 PolarHBondContact O-N 3.35Å; I123-N125 VanDerWaalsContact C-N 3.33Å; I123-N125 PolarHBondContact O-N 3.39Å; I123-S126 WeakPolarHBondContact O-CB 3.21Å; I123-S126 PolarHBondContact O-N 2.9Å; I123-S126 VanDerWaalsContact O-N 3.09Å; I123-F127 HydrophobicContact CG2-CD1 4.46Å; I123-F127 HydrophobicContact CG2-CE1 3.56Å; I123-F127 HydrophobicContact CG2-CE2 3.93Å; I123-F127 HydrophobicContact CG2-CZ 3.25Å; I123-F127 WeakPolarHBondContact O-CD1 3.46Å; I123-F127 PolarHBondContact O-N 3.41Å; I123-F127 VanDerWaalsContact O-N 3.14Å; I123-M199 HydrophobicContact CB-CE 4.1Å; I123-M199 HydrophobicContact CB-SD 4.38Å; I123-M199 HydrophobicContact CD1-CE 3.67Å; I123-M199 HydrophobicContact CG1-CE 4.48Å; I123-M199 HydrophobicContact CG2-CE 3.73Å; I123-M199 HydrophobicContact CG2-SD 3.53Å; I123-M199 VanDerWaalsContact CG2-SD 3.53Å; I123-L248 HydrophobicContact CB-CD1 4.22Å; I123-L248 HydrophobicContact CD1-CB 4.44Å; I123-L248 HydrophobicContact CG1-CB 3.98Å; I123-L248 HydrophobicContact CG1-CD1 3.81Å; I123-L248 HydrophobicContact CG1-CG 4.43Å; I123-L248 HydrophobicContact CG2-CD1 4.14Å
124P93.3Very high90.7Very high6 Ų634 Ų344%0.03919%0.185CC..Hα-helixtrans-63.1-34.4179.424-35.1000113.6R114 R120 G121 S126 F127 A128R114-P124 HydrophobicContact CG-CG 4.33Å; R120-P124 HydrophobicContact CB-CB 4.35Å; R120-P124 HydrophobicContact CB-CG 3.85Å; R120-P124 HydrophobicContact CG-CB 4.35Å; R120-P124 HydrophobicContact CG-CG 4.21Å; G121-P124 WeakPolarHBondContact O-CD 3.25Å; G121-P124 WeakPolarHBondContact O-CG 3.5Å; P124-S126 VanDerWaalsContact C-N 3.33Å; P124-F127 WeakPolarHBondContact O-CB 3.48Å; P124-F127 PolarHBondContact O-N 3.04Å; P124-A128 PolarHBondContact O-N 3.38Å
125N94.4Very high90.8Very high0 Ų035.2 Ų35.20%021%0.206CC..Hα-helixtrans-67.3-34.3173.9-72.7-40.4000112Y77 R120 G121 I123 F127 A128 H129 Q493 L497Y77-N125 HydrophobicContact CD1-CB 4.2Å; Y77-N125 HydrophobicContact CD2-CB 3.54Å; Y77-N125 HydrophobicContact CE1-CB 4.34Å; Y77-N125 HydrophobicContact CE2-CB 3.71Å; Y77-N125 HydrophobicContact CG-CB 3.8Å; R120-N125 PolarHBondContact O-ND2 3.41Å; G121-N125 WeakPolarHBondContact O-CB 3.16Å; G121-N125 PolarHBondContact O-N 3Å; G121-N125 PolarHBondContact O-ND2 2.69Å; I123-N125 VanDerWaalsContact C-N 3.33Å; I123-N125 PolarHBondContact O-N 3.39Å; N125-F127 VanDerWaalsContact C-N 3.3Å; N125-F127 PolarHBondContact O-N 3.42Å; N125-A128 PolarHBondContact O-N 2.81Å; N125-H129 WeakPolarHBondContact O-CB 3.34Å; N125-H129 PolarHBondContact O-N 3.03Å; N125-Q493 PolarHBondContact OD1-NE2 3.13Å; N125-L497 HydrophobicContact CB-CD1 4.43Å; N125-L497 HydrophobicContact CB-CD2 4.41Å
126S95.4Very high90.9Very high0 Ų035.9 Ų35.90%019%0.191CC..Hα-helixtrans-63.1-36.5172.4-56.10000111.9I122 I123 P124 H129 I130I122-S126 WeakPolarHBondContact O-CB 3.49Å; I122-S126 PolarHBondContact O-N 3.31Å; I122-S126 PolarHBondContact O-OG 3.18Å; I123-S126 WeakPolarHBondContact O-CB 3.21Å; I123-S126 PolarHBondContact O-N 2.9Å; I123-S126 VanDerWaalsContact O-N 3.09Å; P124-S126 VanDerWaalsContact C-N 3.33Å; S126-H129 PolarHBondContact O-N 3.26Å; S126-I130 WeakPolarHBondContact O-CB 3.41Å; S126-I130 WeakPolarHBondContact O-CD1 3.3Å; S126-I130 WeakPolarHBondContact O-CG1 3.41Å; S126-I130 PolarHBondContact O-N 2.96Å
127F93.8Very high90.7Very high1 Ų135 Ų350%0.00419%0.19CC..Hα-helixtrans-64.2-45.5177.9-57.9-17000112I123 P124 N125 F131 A192 M195 M199 F224 I226I123-F127 HydrophobicContact CG2-CD1 4.46Å; I123-F127 HydrophobicContact CG2-CE1 3.56Å; I123-F127 HydrophobicContact CG2-CE2 3.93Å; I123-F127 HydrophobicContact CG2-CZ 3.25Å; I123-F127 WeakPolarHBondContact O-CD1 3.46Å; I123-F127 PolarHBondContact O-N 3.41Å; I123-F127 VanDerWaalsContact O-N 3.14Å; P124-F127 WeakPolarHBondContact O-CB 3.48Å; P124-F127 PolarHBondContact O-N 3.04Å; N125-F127 VanDerWaalsContact C-N 3.3Å; N125-F127 PolarHBondContact O-N 3.42Å; F127-F131 PolarHBondContact O-N 3.43Å; F127-A192 HydrophobicContact CB-CB 4.23Å; F127-M195 HydrophobicContact CB-CB 4.36Å; F127-M195 HydrophobicContact CB-CE 3.87Å; F127-M195 HydrophobicContact CD1-CB 3.92Å; F127-M195 HydrophobicContact CD1-CE 3.65Å; F127-M195 HydrophobicContact CD1-CG 4.37Å; F127-M195 HydrophobicContact CD1-SD 3.57Å; F127-M195 VanDerWaalsContact CD1-SD 3.57Å; F127-M195 HydrophobicContact CD2-CB 3.66Å; F127-M195 HydrophobicContact CE1-CB 4.05Å; F127-M195 HydrophobicContact CE1-SD 3.85Å; F127-M195 HydrophobicContact CE2-CB 3.8Å; F127-M195 HydrophobicContact CG-CB 3.73Å; F127-M195 HydrophobicContact CG-CE 3.99Å; F127-M195 HydrophobicContact CG-SD 4.18Å; F127-M195 HydrophobicContact CZ-CB 3.98Å; F127-M199 HydrophobicContact CE2-CB 4.27Å; F127-M199 HydrophobicContact CE2-SD 3.97Å; F127-M199 HydrophobicContact CZ-CB 4.36Å; F127-M199 HydrophobicContact CZ-SD 4.03Å; F127-F224 HydrophobicContact CE1-CD1 4.18Å; F127-F224 AromaticContact CE1-CE1 3.5Å; F127-F224 HydrophobicContact CE1-CE1 3.5Å; F127-F224 AromaticContact CE1-CZ 3.99Å; F127-F224 HydrophobicContact CE1-CZ 3.99Å; F127-F224 HydrophobicContact CZ-CD1 4.37Å; F127-F224 AromaticContact CZ-CE1 3.68Å; F127-F224 HydrophobicContact CZ-CE1 3.68Å; F127-F224 HydrophobicContact CZ-CE2 4.42Å; F127-F224 AromaticContact CZ-CZ 3.72Å; F127-F224 HydrophobicContact CZ-CZ 3.72Å; F127-I226 HydrophobicContact CD1-CD1 4.03Å; F127-I226 HydrophobicContact CE1-CD1 3.93Å
128A90.5Very high90.1Very high7 Ų740.6 Ų40.66%0.05821%0.211CC..Hα-helixtrans-62.4-48.7176.100000111.1P124 N125 I130 F131 G132 Q493P124-A128 PolarHBondContact O-N 3.38Å; N125-A128 PolarHBondContact O-N 2.81Å; A128-I130 PolarHBondContact O-N 2.85Å; A128-F131 PolarHBondContact O-N 3.14Å; A128-G132 PolarHBondContact O-N 3.35Å; A128-Q493 HydrophobicContact CB-CB 4.15Å; A128-Q493 HydrophobicContact CB-CG 3.91Å
129H92.5Very high89.2Confident10 Ų1037.3 Ų37.35%0.04622%0.216CC..Hα-helixtrans-64.1-42.3-177.9-173.1-150.2000113.3Y77 R82 I85 D86 N125 S126 G132 H133 L497Y77-H129 HydrophobicContact CE1-CB 4.49Å; Y77-H129 VanDerWaalsContact OH-CB 3.31Å; Y77-H129 WeakPolarHBondContact OH-CB 3.48Å; Y77-H129 PolarHBondContact OH-ND1 2.74Å; R82-H129 WeakPolarHBondContact CG-CE1 3.45Å; I85-H129 VanDerWaalsContact CG2-ND1 3.34Å; I85-H129 WeakPolarHBondContact CG2-ND1 3.47Å; D86-H129 IonicContact OD1-CE1 2.74Å; D86-H129 PolarHBondContact OD1-CE1 3.32Å; D86-H129 IonicContact OD1-NE2 3.47Å; N125-H129 WeakPolarHBondContact O-CB 3.34Å; N125-H129 PolarHBondContact O-N 3.03Å; S126-H129 PolarHBondContact O-N 3.26Å; H129-G132 PolarHBondContact O-N 3.19Å; H129-H133 WeakPolarHBondContact O-CB 3.42Å; H129-H133 PolarHBondContact O-N 2.93Å; H129-L497 HydrophobicContact CB-CD1 4.49Å
130I93.3Very high88.5Confident0 Ų038.2 Ų38.20%022%0.222CC..Hα-helixtrans-61-47.8176.8-72.6163.5000110.7I85 L89 S126 A128 I134 M195 I226 I228 L246I85-I130 HydrophobicContact CG2-CG1 3.83Å; L89-I130 HydrophobicContact CD2-CG2 4.38Å; S126-I130 WeakPolarHBondContact O-CB 3.41Å; S126-I130 WeakPolarHBondContact O-CD1 3.3Å; S126-I130 WeakPolarHBondContact O-CG1 3.41Å; S126-I130 PolarHBondContact O-N 2.96Å; A128-I130 PolarHBondContact O-N 2.85Å; I130-I134 HydrophobicContact CG2-CD1 3.85Å; I130-I134 WeakPolarHBondContact O-CD1 3.33Å; I130-I134 VanDerWaalsContact O-CG1 3.25Å; I130-I134 WeakPolarHBondContact O-CG1 3.09Å; I130-I134 PolarHBondContact O-N 3.03Å; I130-I134 VanDerWaalsContact O-N 3.08Å; I130-M195 HydrophobicContact CG2-CE 4.41Å; I130-I226 HydrophobicContact CD1-CD1 3.72Å; I130-I226 HydrophobicContact CD1-CG2 4.39Å; I130-I228 HydrophobicContact CD1-CD1 4.07Å; I130-I228 HydrophobicContact CG1-CD1 4.07Å; I130-I228 HydrophobicContact CG2-CD1 3.78Å; I130-L246 HydrophobicContact CD1-CD2 4.4Å
131F91.1Very high88Confident25 Ų2537.3 Ų37.311%0.1122%0.223CC..Hα-helixtrans-77.4-27.5-178.3-83.1-66.8000114F127 A128 I134 A135 V145 V189 N190 N191 A192 M195F127-F131 PolarHBondContact O-N 3.43Å; A128-F131 PolarHBondContact O-N 3.14Å; F131-I134 HydrophobicContact CD1-CD1 4.05Å; F131-I134 HydrophobicContact CE1-CD1 4.16Å; F131-I134 PolarHBondContact O-N 3.06Å; F131-A135 VanDerWaalsContact O-CB 3.3Å; F131-A135 WeakPolarHBondContact O-CB 3.34Å; F131-A135 PolarHBondContact O-N 3.29Å; F131-V145 HydrophobicContact CE1-CG2 4.4Å; F131-V145 HydrophobicContact CZ-CB 4.34Å; F131-V145 HydrophobicContact CZ-CG2 4.26Å; F131-V189 HydrophobicContact CE2-CG2 4.41Å; F131-V189 HydrophobicContact CZ-CG2 4.14Å; F131-N190 VanDerWaalsContact CE1-C 3.4Å; F131-N191 WeakPolarHBondContact CE2-O 3.47Å; F131-A192 HydrophobicContact CD2-CB 4.14Å; F131-A192 VanDerWaalsContact CD2-N 3.25Å; F131-M195 HydrophobicContact CD2-CE 3.61Å; F131-M195 HydrophobicContact CE2-CE 3.36Å; F131-M195 HydrophobicContact CE2-CG 4.16Å; F131-M195 HydrophobicContact CE2-SD 4.4Å; F131-M195 HydrophobicContact CZ-CE 4.45Å
132G87.9Confident87.5Confident5 Ų544.3 Ų44.35%0.05225%0.249CC..Hα-helixtrans-62.1-47.1168.800000111.9A128 H129 I134 A135 K136 E494A128-G132 PolarHBondContact O-N 3.35Å; H129-G132 PolarHBondContact O-N 3.19Å; G132-I134 PolarHBondContact O-N 3.43Å; G132-A135 PolarHBondContact O-N 2.83Å; G132-K136 WeakPolarHBondContact O-CB 3.46Å; G132-K136 WeakPolarHBondContact O-CG 3.21Å; G132-K136 PolarHBondContact O-N 3.37Å; G132-E494 WeakPolarHBondContact CA-OE1 3.26Å; G132-E494 VanDerWaalsContact CA-OE2 3.32Å; G132-E494 WeakPolarHBondContact CA-OE2 3.44Å
133H88.6Confident87.2Confident78 Ų7846.3 Ų46.336%0.36126%0.257SS..Hα-helixtrans-59.8-44.1173.3-174.495.9000112.5L89 H129 A135 K136 A137L89-H133 HydrophobicContact CD1-CB 3.83Å; L89-H133 HydrophobicContact CD2-CB 4.48Å; H129-H133 WeakPolarHBondContact O-CB 3.42Å; H129-H133 PolarHBondContact O-N 2.93Å; H133-A135 VanDerWaalsContact C-N 3.33Å; H133-A135 PolarHBondContact O-N 3.5Å; H133-K136 PolarHBondContact O-N 3.24Å; H133-A137 PolarHBondContact O-N 3.47Å; H133-A137 VanDerWaalsContact O-N 3.14Å
134I88.3Confident87Confident36 Ų3649 Ų4919%0.18527%0.272CS..Hα-helixtrans-63.8-37.9176.8-67.9166.8000111.5I130 F131 G132 A137 F143 V145I130-I134 HydrophobicContact CG2-CD1 3.85Å; I130-I134 WeakPolarHBondContact O-CD1 3.33Å; I130-I134 VanDerWaalsContact O-CG1 3.25Å; I130-I134 WeakPolarHBondContact O-CG1 3.09Å; I130-I134 PolarHBondContact O-N 3.03Å; I130-I134 VanDerWaalsContact O-N 3.08Å; F131-I134 HydrophobicContact CD1-CD1 4.05Å; F131-I134 HydrophobicContact CE1-CD1 4.16Å; F131-I134 PolarHBondContact O-N 3.06Å; G132-I134 PolarHBondContact O-N 3.43Å; I134-A137 WeakPolarHBondContact O-CB 3.34Å; I134-A137 PolarHBondContact O-N 3.21Å; I134-F143 HydrophobicContact CB-CD2 4.34Å; I134-F143 HydrophobicContact CD1-CB 4.04Å; I134-F143 HydrophobicContact CD1-CD1 4.42Å; I134-F143 HydrophobicContact CD1-CG 4.21Å; I134-F143 HydrophobicContact CG1-CB 4.07Å; I134-F143 HydrophobicContact CG1-CD1 3.98Å; I134-F143 HydrophobicContact CG1-CD2 3.98Å; I134-F143 HydrophobicContact CG1-CE1 4.4Å; I134-F143 HydrophobicContact CG1-CE2 4.4Å; I134-F143 HydrophobicContact CG1-CG 3.74Å; I134-F143 HydrophobicContact CG2-CB 4.18Å; I134-F143 HydrophobicContact CG2-CD2 3.93Å; I134-F143 HydrophobicContact CG2-CG 4.23Å; I134-V145 HydrophobicContact CD1-CG2 3.63Å
135A85.5Confident87Confident75 Ų7549 Ų4962%0.6227%0.271SS*.Hα-helixtrans-71.7-29.1178.100000113.2F131 G132 H133F131-A135 VanDerWaalsContact O-CB 3.3Å; F131-A135 WeakPolarHBondContact O-CB 3.34Å; F131-A135 PolarHBondContact O-N 3.29Å; G132-A135 PolarHBondContact O-N 2.83Å; H133-A135 VanDerWaalsContact C-N 3.33Å; H133-A135 PolarHBondContact O-N 3.5Å
136K84.8Confident87Confident107 Ų10752.9 Ų52.947%0.46529%0.286SS..THydrogen-bonded Turntrans-85.6-4.6175.6-70.7171177.9167.50113.9G132 H133 E138 E494 E498G132-K136 WeakPolarHBondContact O-CB 3.46Å; G132-K136 WeakPolarHBondContact O-CG 3.21Å; G132-K136 PolarHBondContact O-N 3.37Å; H133-K136 PolarHBondContact O-N 3.24Å; K136-E138 PolarHBondContact O-N 3.48Å; K136-E494 WeakPolarHBondContact CE-OE1 3.5Å; K136-E494 WeakPolarHBondContact CE-OE2 3.35Å; K136-E494 IonicContact NZ-OE1 3.1Å; K136-E494 PolarHBondContact NZ-OE1 3.25Å; K136-E494 IonicContact NZ-OE2 3.71Å; K136-E494 PolarHBondContact NZ-OE2 3.31Å; K136-E498 IonicContact NZ-OE1 3.4Å; K136-E498 PolarHBondContact NZ-OE1 2.99Å; K136-E498 IonicContact NZ-OE2 2.72Å
137A81.8Confident87Confident40 Ų4053 Ų5333%0.33129%0.287SS..  trans-71.7120.9-176.800000111.8H133 I134 F143H133-A137 PolarHBondContact O-N 3.47Å; H133-A137 VanDerWaalsContact O-N 3.14Å; I134-A137 WeakPolarHBondContact O-CB 3.34Å; I134-A137 PolarHBondContact O-N 3.21Å; A137-F143 HydrophobicContact CB-CE2 3.63Å; A137-F143 HydrophobicContact CB-CZ 4.29Å
138E72.3Confident87.1Confident177 Ų17753.7 Ų53.783%0.82729%0.291SS*.  trans-90.5163.3177.4-60.6-175.917900112K136 T141K136-E138 PolarHBondContact O-N 3.48Å; E138-T141 PolarHBondContact O-OG1 3.44Å
139G68.8Low87.4Confident78 Ų7853.8 Ų53.880%0.80429%0.29SS*.SBendtrans83.1-160.517700000115.4T141G139-T141 PolarHBondContact O-N 2.89Å
140D75.9Confident87.4Confident87 Ų8753.5 Ų53.547%0.46529%0.289SS..SBendtrans-90.541.4176.9-165.610.5000111.2R142D140-R142 IonicContact OD1-CZ 3.4Å; D140-R142 VanDerWaalsContact OD1-CZ 3.29Å; D140-R142 IonicContact OD1-NE 3.49Å; D140-R142 PolarHBondContact OD1-NE 3.08Å; D140-R142 IonicContact OD1-NH2 2.69Å; D140-R142 PolarHBondContact OD1-NH2 3.02Å; D140-R142 IonicContact OD2-NH2 2.83Å; D140-R142 PolarHBondContact OD2-NH2 3.15Å
141T83.3Confident87.4Confident38 Ų3853.7 Ų53.723%0.23329%0.29CS..  trans-88.2128.6179.9-48.40000109.7E138 G139 F143 S231 E232E138-T141 PolarHBondContact O-OG1 3.44Å; G139-T141 PolarHBondContact O-N 2.89Å; T141-F143 HydrophobicContact CG2-CD2 4.36Å; T141-F143 HydrophobicContact CG2-CE2 3.55Å; T141-F143 HydrophobicContact CG2-CZ 3.76Å; T141-S231 CarbonylContact C-O 3.57Å; T141-S231 WeakPolarHBondContact CA-O 3.34Å; T141-E232 HydrophobicContact CG2-CB 4.49Å
142R85.2Confident87.4Confident147 Ų14752.7 Ų52.756%0.55529%0.286SS*.EExtended strand (participates in β ladder)trans-126.1128.4-173.9-55.9-176.5-167.7-175.75.2110.7D140 S231D140-R142 IonicContact OD1-CZ 3.4Å; D140-R142 VanDerWaalsContact OD1-CZ 3.29Å; D140-R142 IonicContact OD1-NE 3.49Å; D140-R142 PolarHBondContact OD1-NE 3.08Å; D140-R142 IonicContact OD1-NH2 2.69Å; D140-R142 PolarHBondContact OD1-NH2 3.02Å; D140-R142 IonicContact OD2-NH2 2.83Å; D140-R142 PolarHBondContact OD2-NH2 3.15Å; R142-S231 PolarHBondContact N-O 3.43Å; R142-S231 PolarHBondContact O-N 3.48Å
143F90.2Very high87.3Confident47 Ų4754 Ų5421%0.20629%0.29CS..EExtended strand (participates in β ladder)trans-111.5140-179.6-64-91.8000111.6I134 A137 T141 I228 E229 C230I134-F143 HydrophobicContact CB-CD2 4.34Å; I134-F143 HydrophobicContact CD1-CB 4.04Å; I134-F143 HydrophobicContact CD1-CD1 4.42Å; I134-F143 HydrophobicContact CD1-CG 4.21Å; I134-F143 HydrophobicContact CG1-CB 4.07Å; I134-F143 HydrophobicContact CG1-CD1 3.98Å; I134-F143 HydrophobicContact CG1-CD2 3.98Å; I134-F143 HydrophobicContact CG1-CE1 4.4Å; I134-F143 HydrophobicContact CG1-CE2 4.4Å; I134-F143 HydrophobicContact CG1-CG 3.74Å; I134-F143 HydrophobicContact CG2-CB 4.18Å; I134-F143 HydrophobicContact CG2-CD2 3.93Å; I134-F143 HydrophobicContact CG2-CG 4.23Å; A137-F143 HydrophobicContact CB-CE2 3.63Å; A137-F143 HydrophobicContact CB-CZ 4.29Å; T141-F143 HydrophobicContact CG2-CD2 4.36Å; T141-F143 HydrophobicContact CG2-CE2 3.55Å; T141-F143 HydrophobicContact CG2-CZ 3.76Å; F143-I228 HydrophobicContact CD1-CG2 4.03Å; F143-E229 CarbonylContact C-O 3.55Å; F143-E229 WeakPolarHBondContact CA-O 3.38Å; F143-C230 HydrophobicContact CD1-CB 3.93Å; F143-C230 HydrophobicContact CE1-CB 3.78Å; F143-C230 VanDerWaalsContact CE1-SG 3.55Å
144L89.8Confident86.9Confident66 Ų6652.2 Ų52.235%0.34628%0.282SS..EExtended strand (participates in β ladder)trans-124.6112.6167.1176.462.2000109R146 V188 E229L144-R146 HydrophobicContact CG-CG 4.32Å; L144-V188 HydrophobicContact CD1-CG1 3.62Å; L144-V188 HydrophobicContact CD1-CG2 4.17Å; L144-E229 HydrophobicContact CB-CB 4.31Å; L144-E229 PolarHBondContact N-O 3.19Å; L144-E229 PolarHBondContact O-N 3.47Å
145V93.9Very high86.8Confident5 Ų552.1 Ų52.13%0.0328%0.281CS..EExtended strand (participates in β ladder)trans-100.9126.1178.8-172.90000109.7F131 I134 V188 V189 I226 T227F131-V145 HydrophobicContact CE1-CG2 4.4Å; F131-V145 HydrophobicContact CZ-CB 4.34Å; F131-V145 HydrophobicContact CZ-CG2 4.26Å; I134-V145 HydrophobicContact CD1-CG2 3.63Å; V145-V188 WeakPolarHBondContact O-CA 3.33Å; V145-V189 HydrophobicContact CB-CG2 3.79Å; V145-V189 HydrophobicContact CG1-CG2 3.5Å; V145-V189 VanDerWaalsContact CG1-CG2 3.5Å; V145-V189 PolarHBondContact O-N 2.67Å; V145-I226 HydrophobicContact CG1-CG2 3.63Å; V145-T227 WeakPolarHBondContact CA-O 3.48Å
146R94.6Very high86.9Confident82 Ų8250 Ų5031%0.30926%0.259SS..EExtended strand (participates in β ladder)trans-123.6134.2175.7-60-171-61.2-114.4-1.5110.3L144 Y187 V188 T227 E229L144-R146 HydrophobicContact CG-CG 4.32Å; R146-Y187 CarbonylContact C-O 3.58Å; R146-Y187 VanDerWaalsContact CA-O 3.3Å; R146-Y187 WeakPolarHBondContact CA-O 3.34Å; R146-V188 HydrophobicContact CG-CG2 4.17Å; R146-T227 PolarHBondContact N-O 3.39Å; R146-T227 PolarHBondContact O-N 3.05Å; R146-E229 IonicContact CZ-OE1 2.63Å; R146-E229 VanDerWaalsContact CZ-OE1 3.29Å; R146-E229 IonicContact CZ-OE2 2.87Å; R146-E229 IonicContact NH1-OE1 3.46Å; R146-E229 PolarHBondContact NH1-OE1 2.94Å; R146-E229 VanDerWaalsContact NH1-OE1 3.11Å; R146-E229 IonicContact NH1-OE2 2.92Å; R146-E229 PolarHBondContact NH1-OE2 3.11Å; R146-E229 VanDerWaalsContact NH2-CD 3.32Å; R146-E229 IonicContact NH2-OE1 3.96Å; R146-E229 PolarHBondContact NH2-OE1 3.32Å; R146-E229 IonicContact NH2-OE2 3.24Å
147V96.1Very high87.2Confident2 Ų245 Ų451%0.01224%0.237CC..EExtended strand (participates in β ladder)trans-116.5144.1178.3-62.10000112.1G186 Y187 V189 M195 I198 F224 T225 I226V147-G186 WeakPolarHBondContact O-CA 3.48Å; V147-Y187 PolarHBondContact N-O 3.22Å; V147-Y187 PolarHBondContact O-N 3.15Å; V147-V189 HydrophobicContact CG1-CG1 4.47Å; V147-V189 HydrophobicContact CG1-CG2 4.01Å; V147-V189 HydrophobicContact CG2-CG1 3.74Å; V147-M195 HydrophobicContact CG1-CG 4.05Å; V147-M195 HydrophobicContact CG1-SD 3.67Å; V147-I198 HydrophobicContact CG2-CB 4.46Å; V147-I198 HydrophobicContact CG2-CD1 3.64Å; V147-I198 HydrophobicContact CG2-CG2 3.86Å; V147-F224 HydrophobicContact CB-CE1 4.32Å; V147-F224 HydrophobicContact CB-CZ 4.07Å; V147-F224 HydrophobicContact CG1-CE1 4.05Å; V147-F224 HydrophobicContact CG1-CZ 4.09Å; V147-T225 VanDerWaalsContact CA-O 3.32Å; V147-T225 WeakPolarHBondContact CA-O 3.32Å; V147-I226 HydrophobicContact CG1-CG1 4.3Å; V147-I226 HydrophobicContact CG1-CG2 4.3Å
148S95.3Very high87.7Confident15 Ų1545.6 Ų45.611%0.10523%0.231CC..EExtended strand (participates in β ladder)trans-136.3148.6167.5620000109.6S185 T225S148-S185 WeakPolarHBondContact CB-O 3.43Å; S148-T225 PolarHBondContact N-O 3.32Å; S148-T225 PolarHBondContact O-N 2.91Å
149Y95.5Very high88.7Confident9 Ų937.6 Ų37.64%0.03519%0.194CC..EExtended strand (participates in β ladder)trans-140.3125.5-177.9-170.4-164.1000109.8L160 L161 A222 F224Y149-L160 HydrophobicContact CD1-CB 4.22Å; Y149-L160 HydrophobicContact CD1-CD1 3.98Å; Y149-L160 HydrophobicContact CD2-CD1 3.89Å; Y149-L160 HydrophobicContact CE1-CD1 3.89Å; Y149-L160 HydrophobicContact CE2-CD1 3.81Å; Y149-L160 HydrophobicContact CG-CB 4.25Å; Y149-L160 HydrophobicContact CG-CD1 3.97Å; Y149-L160 WeakPolarHBondContact O-CB 3.2Å; Y149-L160 PolarHBondContact O-N 3.5Å; Y149-L161 HydrophobicContact CD1-CD2 4.37Å; Y149-A222 HydrophobicContact CE2-CB 3.95Å; Y149-F224 AromaticContact CD1-CD2 3.78Å; Y149-F224 HydrophobicContact CD1-CD2 3.78Å; Y149-F224 HydrophobicContact CD1-CE2 4.23Å; Y149-F224 HydrophobicContact CD2-CB 3.88Å; Y149-F224 AromaticContact CD2-CD2 3.77Å; Y149-F224 HydrophobicContact CD2-CD2 3.77Å; Y149-F224 HydrophobicContact CD2-CG 4.31Å; Y149-F224 HydrophobicContact CE1-CD2 4.28Å; Y149-F224 HydrophobicContact CE2-CB 4.09Å; Y149-F224 HydrophobicContact CE2-CD2 4.25Å; Y149-F224 HydrophobicContact CG-CB 4.49Å; Y149-F224 AromaticContact CG-CD2 3.52Å; Y149-F224 HydrophobicContact CG-CD2 3.52Å; Y149-F224 HydrophobicContact CG-CE2 4.23Å; Y149-F224 HydrophobicContact CG-CG 4.44Å
150L94Very high89.8Confident5 Ų534 Ų343%0.02616%0.156CC..EExtended strand (participates in β ladder)trans-135.8157.6-173.568.9102.5000112I152 V157 R158 I181 L184 A222 I223L150-I152 HydrophobicContact CD1-CD1 4.41Å; L150-I152 HydrophobicContact CD1-CG1 3.81Å; L150-V157 HydrophobicContact CD1-CG1 4.19Å; L150-R158 CarbonylContact C-O 3.53Å; L150-R158 VanDerWaalsContact CA-O 3.24Å; L150-R158 WeakPolarHBondContact CA-O 3.47Å; L150-R158 WeakPolarHBondContact CB-O 3.36Å; L150-I181 HydrophobicContact CD1-CD1 4.34Å; L150-I181 HydrophobicContact CD2-CD1 3.52Å; L150-I181 HydrophobicContact CG-CD1 4.46Å; L150-L184 HydrophobicContact CB-CD1 4.19Å; L150-L184 HydrophobicContact CD2-CD2 4.05Å; L150-A222 WeakPolarHBondContact O-CA 3.44Å; L150-I223 HydrophobicContact CD1-CB 4.06Å; L150-I223 HydrophobicContact CD1-CD1 4.28Å; L150-I223 HydrophobicContact CD1-CG1 4.28Å; L150-I223 HydrophobicContact CD2-CB 4.24Å; L150-I223 HydrophobicContact CG-CB 3.95Å; L150-I223 PolarHBondContact N-O 2.96Å; L150-I223 VanDerWaalsContact N-O 3.13Å; L150-I223 PolarHBondContact O-N 3.06Å
151E92.3Very high90.6Very high4 Ų430.1 Ų30.12%0.01914%0.135CC..EExtended strand (participates in β ladder)trans-118.5136.8172.8-175.4173.2-124.700110.1R158 L160 R206 H216 S220 H221E151-R158 PolarHBondContact N-O 3.26Å; E151-R158 PolarHBondContact O-N 3.42Å; E151-L160 HydrophobicContact CB-CD1 4.11Å; E151-L160 HydrophobicContact CB-CD2 3.92Å; E151-L160 HydrophobicContact CB-CG 4.03Å; E151-R206 WeakPolarHBondContact OE1-CG 3.13Å; E151-R206 IonicContact OE1-NE 3.24Å; E151-R206 PolarHBondContact OE1-NE 3.22Å; E151-H216 IonicContact OE1-CE1 3.54Å; E151-H216 PolarHBondContact OE1-CE1 2.62Å; E151-H216 VanDerWaalsContact OE1-CE1 3.22Å; E151-H216 IonicContact OE1-ND1 3.07Å; E151-H216 PolarHBondContact OE1-ND1 3.06Å; E151-H216 VanDerWaalsContact OE1-ND1 3.16Å; E151-H216 IonicContact OE2-CE1 3.73Å; E151-H216 PolarHBondContact OE2-CE1 2.76Å; E151-S220 WeakPolarHBondContact OE1-CB 3.41Å; E151-S220 PolarHBondContact OE1-OG 3.29Å; E151-H221 CarbonylContact C-O 3.46Å; E151-H221 WeakPolarHBondContact CA-O 3.18Å
152I90.9Very high90.8Very high3 Ų328.9 Ų28.92%0.01513%0.13CC..EExtended strand (participates in β ladder)trans-107.9113.1167-47.3178000107.5L150 E156 S220 H221 I223 L302 L305L150-I152 HydrophobicContact CD1-CD1 4.41Å; L150-I152 HydrophobicContact CD1-CG1 3.81Å; I152-E156 WeakPolarHBondContact CA-O 3.4Å; I152-S220 WeakPolarHBondContact O-CA 3.29Å; I152-S220 WeakPolarHBondContact O-CB 3.41Å; I152-H221 HydrophobicContact CB-CB 4.28Å; I152-H221 PolarHBondContact N-O 3.42Å; I152-H221 PolarHBondContact O-N 3.27Å; I152-I223 HydrophobicContact CD1-CD1 4.04Å; I152-L302 HydrophobicContact CD1-CB 4.07Å; I152-L302 HydrophobicContact CD1-CD1 3.98Å; I152-L305 HydrophobicContact CD1-CD1 3.72Å
153Y86.3Confident90.7Very high34 Ų3432.1 Ų32.113%0.13315%0.148CC..EExtended strand (participates in β ladder)trans-136.7135.1178.6174.7-107.9000108.9E155 E156 H216 R219 E269Y153-E155 PolarHBondContact O-N 3.02Å; Y153-E156 PolarHBondContact N-O 2.81Å; Y153-E156 WeakPolarHBondContact O-CA 3.49Å; Y153-E156 WeakPolarHBondContact O-CB 3.31Å; Y153-E156 PolarHBondContact O-N 2.95Å; Y153-H216 AromaticContact CD1-NE2 3.91Å; Y153-H216 AromaticContact CD2-CE1 3.93Å; Y153-H216 AromaticContact CD2-NE2 3.6Å; Y153-H216 AromaticContact CE1-NE2 3.85Å; Y153-H216 AromaticContact CE2-NE2 3.54Å; Y153-H216 AromaticContact CG-CE1 3.99Å; Y153-H216 AromaticContact CG-NE2 3.77Å; Y153-H216 AromaticContact CZ-NE2 3.65Å; Y153-R219 WeakPolarHBondContact CD2-O 3.48Å; Y153-R219 HydrophobicContact CE2-CB 4.38Å; Y153-E269 HydrophobicContact CE2-CG 4.11Å; Y153-E269 WeakPolarHBondContact OH-CG 3.27Å; Y153-E269 PolarHBondContact OH-OE1 2.65Å
154N80.6Confident90.4Very high39 Ų3933.9 Ų33.921%0.20916%0.16CC..THydrogen-bonded Turntrans60.324.6177.7-163.162.3000115E156 K272N154-E156 PolarHBondContact ND2-OE1 2.94Å; N154-E156 PolarHBondContact O-N 3.05Å; N154-K272 PolarHBondContact ND2-NZ 2.63Å; N154-K272 PolarHBondContact O-NZ 3.03Å; N154-K272 WeakPolarHBondContact OD1-CD 3.46Å
155E85.7Confident89.8Confident35 Ų3533.1 Ų33.116%0.16416%0.155CC..THydrogen-bonded Turntrans62.618.8-166.9-72.2-69.2134.500114.9Y153 L275 S276 S300 K301Y153-E155 PolarHBondContact O-N 3.02Å; E155-L275 HydrophobicContact CG-CD2 4.21Å; E155-S276 WeakPolarHBondContact OE1-CB 3.41Å; E155-S300 WeakPolarHBondContact OE1-CB 3.36Å; E155-S300 PolarHBondContact OE1-OG 2.81Å; E155-S300 WeakPolarHBondContact OE2-CA 3.48Å; E155-S300 PolarHBondContact OE2-OG 3.48Å; E155-K301 PolarHBondContact OE2-N 2.93Å
156E87.8Confident89Confident30 Ų3039.7 Ų39.714%0.1419%0.189CC..EExtended strand (participates in β ladder)trans-105.6136.9172.7-61.2163.1-15200109.7I152 Y153 N154 R158 R168I152-E156 WeakPolarHBondContact CA-O 3.4Å; Y153-E156 PolarHBondContact N-O 2.81Å; Y153-E156 WeakPolarHBondContact O-CA 3.49Å; Y153-E156 WeakPolarHBondContact O-CB 3.31Å; Y153-E156 PolarHBondContact O-N 2.95Å; N154-E156 PolarHBondContact ND2-OE1 2.94Å; N154-E156 PolarHBondContact O-N 3.05Å; E156-R158 IonicContact OE2-NH2 3.19Å; E156-R168 VanDerWaalsContact CD-CZ 3.47Å; E156-R168 IonicContact OE1-CZ 3.56Å; E156-R168 IonicContact OE1-NE 3.66Å; E156-R168 IonicContact OE1-NH2 3.55Å; E156-R168 PolarHBondContact OE1-NH2 3.39Å; E156-R168 IonicContact OE2-CZ 3.87Å; E156-R168 VanDerWaalsContact OE2-CZ 3.24Å; E156-R168 IonicContact OE2-NE 2.79Å; E156-R168 PolarHBondContact OE2-NE 3.46Å; E156-R168 IonicContact OE2-NH2 2.79Å; E156-R168 PolarHBondContact OE2-NH2 3.13Å
157V91.2Very high88.6Confident3 Ų340.1 Ų40.12%0.01820%0.195CC..EExtended strand (participates in β ladder)trans-94.4129.9174.1-179.10000109.2L150 L169 V171 I181 K301L150-V157 HydrophobicContact CD1-CG1 4.19Å; V157-L169 HydrophobicContact CB-CB 4.41Å; V157-L169 HydrophobicContact CG1-CB 4.23Å; V157-L169 PolarHBondContact O-N 3.43Å; V157-V171 HydrophobicContact CG2-CG2 3.93Å; V157-I181 HydrophobicContact CG1-CD1 3.89Å; V157-I181 HydrophobicContact CG1-CG1 4.44Å; V157-I181 HydrophobicContact CG1-CG2 4.23Å; V157-K301 HydrophobicContact CG2-CB 4.24Å
158R91.4Very high88.1Confident51 Ų5147.8 Ų47.819%0.19222%0.223CC..EExtended strand (participates in β ladder)trans-124.9141175.5-62.7-178.4-173.91662110.5L150 E151 E156L150-R158 CarbonylContact C-O 3.53Å; L150-R158 VanDerWaalsContact CA-O 3.24Å; L150-R158 WeakPolarHBondContact CA-O 3.47Å; L150-R158 WeakPolarHBondContact CB-O 3.36Å; E151-R158 PolarHBondContact N-O 3.26Å; E151-R158 PolarHBondContact O-N 3.42Å; E156-R158 IonicContact OE2-NH2 3.19Å
159D93.9Very high87.9Confident10 Ų1047.9 Ų47.95%0.05322%0.222CC..EExtended strand (participates in β ladder)trans-89.3113.5175.4179.7-11.2000110L161 G162 Q165 L169 L184 S185D159-L161 PolarHBondContact O-N 2.97Å; D159-L161 WeakPolarHBondContact OD1-CA 3.34Å; D159-L161 PolarHBondContact OD1-N 2.97Å; D159-G162 VanDerWaalsContact CG-N 3.26Å; D159-G162 PolarHBondContact O-N 3.22Å; D159-G162 PolarHBondContact OD1-N 2.84Å; D159-Q165 VanDerWaalsContact O-CD 3.28Å; D159-Q165 PolarHBondContact O-NE2 3.29Å; D159-Q165 PolarHBondContact O-OE1 3.1Å; D159-Q165 VanDerWaalsContact O-OE1 3.14Å; D159-L169 HydrophobicContact CB-CD1 3.78Å; D159-L184 HydrophobicContact CB-CD1 3.93Å; D159-S185 PolarHBondContact OD1-OG 3.15Å; D159-S185 VanDerWaalsContact OD1-OG 3.06Å; D159-S185 WeakPolarHBondContact OD2-CB 3.36Å; D159-S185 PolarHBondContact OD2-N 2.88Å; D159-S185 PolarHBondContact OD2-OG 2.88Å
160L92.6Very high87.5Confident2 Ų252.7 Ų52.71%0.0125%0.245CC..SBendtrans-74.9-10.6-178.1-65.5177.8000113.3Y149 E151 Q165 G202 N205 R206Y149-L160 HydrophobicContact CD1-CB 4.22Å; Y149-L160 HydrophobicContact CD1-CD1 3.98Å; Y149-L160 HydrophobicContact CD2-CD1 3.89Å; Y149-L160 HydrophobicContact CE1-CD1 3.89Å; Y149-L160 HydrophobicContact CE2-CD1 3.81Å; Y149-L160 HydrophobicContact CG-CB 4.25Å; Y149-L160 HydrophobicContact CG-CD1 3.97Å; Y149-L160 WeakPolarHBondContact O-CB 3.2Å; Y149-L160 PolarHBondContact O-N 3.5Å; E151-L160 HydrophobicContact CB-CD1 4.11Å; E151-L160 HydrophobicContact CB-CD2 3.92Å; E151-L160 HydrophobicContact CB-CG 4.03Å; L160-Q165 PolarHBondContact O-NE2 3Å; L160-G202 WeakPolarHBondContact O-CA 3.48Å; L160-N205 PolarHBondContact O-ND2 3.28Å; L160-R206 HydrophobicContact CD1-CB 4.3Å; L160-R206 HydrophobicContact CD2-CB 3.95Å; L160-R206 HydrophobicContact CD2-CG 4.39Å
161L92.8Very high87.3Confident5 Ų553.1 Ų53.13%0.02625%0.248CC..SBendtrans-108.7-14.9178.7-48.7-178.9000112.5Y149 D159 Y187 I198Y149-L161 HydrophobicContact CD1-CD2 4.37Å; D159-L161 PolarHBondContact O-N 2.97Å; D159-L161 WeakPolarHBondContact OD1-CA 3.34Å; D159-L161 PolarHBondContact OD1-N 2.97Å; L161-Y187 HydrophobicContact CB-CD2 4.03Å; L161-Y187 HydrophobicContact CB-CE2 3.52Å; L161-Y187 HydrophobicContact CD1-CD2 3.79Å; L161-Y187 HydrophobicContact CD1-CE2 4.18Å; L161-Y187 HydrophobicContact CG-CE2 4.49Å; L161-Y187 PolarHBondContact O-OH 3.03Å; L161-Y187 VanDerWaalsContact O-OH 3.1Å; L161-I198 HydrophobicContact CD1-CG2 3.46Å; L161-I198 VanDerWaalsContact CD1-CG2 3.46Å; L161-I198 HydrophobicContact CD2-CG2 3.6Å; L161-I198 HydrophobicContact CG-CG2 4.17Å
162G86.8Confident87.1Confident13 Ų1356.2 Ų56.213%0.13426%0.261CS..SBendtrans-60.7156.5178.100000114.2D159 D164 Q165D159-G162 VanDerWaalsContact CG-N 3.26Å; D159-G162 PolarHBondContact O-N 3.22Å; D159-G162 PolarHBondContact OD1-N 2.84Å; G162-D164 VanDerWaalsContact C-N 3.34Å; G162-Q165 PolarHBondContact O-NE2 3.39Å
163K82.6Confident86.8Confident214 Ų21460 Ų6093%0.9328%0.279SS*.SBendtrans-69.1-31.5177.8-66.3179.3-177.7173.90113
164D84.3Confident86.4Confident85 Ų8564.6 Ų64.646%0.45530%0.296SS..  trans-113106.6176.6-175.40.6000109.9G162 L166 Q167G162-D164 VanDerWaalsContact C-N 3.34Å; D164-L166 PolarHBondContact O-N 3.15Å; D164-L166 WeakPolarHBondContact OD1-CB 3.47Å; D164-L166 PolarHBondContact OD1-N 3.17Å; D164-Q167 HydrophobicContact CB-CB 4.18Å; D164-Q167 PolarHBondContact O-N 2.66Å; D164-Q167 PolarHBondContact OD1-N 3.2Å
165Q77.8Confident86.2Confident49 Ų4969.8 Ų69.823%0.22933%0.332CS..THydrogen-bonded Turntrans-78.3-7.5179.5-65.1-63.7-51.700113.2D159 L160 G162 N205D159-Q165 VanDerWaalsContact O-CD 3.28Å; D159-Q165 PolarHBondContact O-NE2 3.29Å; D159-Q165 PolarHBondContact O-OE1 3.1Å; D159-Q165 VanDerWaalsContact O-OE1 3.14Å; L160-Q165 PolarHBondContact O-NE2 3Å; G162-Q165 PolarHBondContact O-NE2 3.39Å; Q165-N205 HydrophobicContact CG-CB 4.17Å; Q165-N205 PolarHBondContact NE2-ND2 2.75Å
166L77.6Confident85.4Confident144 Ų14473.9 Ų73.975%0.75436%0.355SS*.THydrogen-bonded Turntrans-93.6-13.2174.4-60.6172.4000112.1D164 R168D164-L166 PolarHBondContact O-N 3.15Å; D164-L166 WeakPolarHBondContact OD1-CB 3.47Å; D164-L166 PolarHBondContact OD1-N 3.17Å; L166-R168 PolarHBondContact O-N 3.37Å
167Q84.5Confident84.7Confident91 Ų9176.2 Ų76.243%0.42537%0.371SS..PPolyproline II helixtrans-65.2126.2176.6-172.1178.9-12.200110.5D164 L169D164-Q167 HydrophobicContact CB-CB 4.18Å; D164-Q167 PolarHBondContact O-N 2.66Å; D164-Q167 PolarHBondContact OD1-N 3.2Å; Q167-L169 HydrophobicContact CG-CD2 4.05Å
168R86.6Confident84.3Confident163 Ų16377.2 Ų77.262%0.61538%0.382SS*.PPolyproline II helixtrans-88.9130.8171.8-66.8171.4170.8162.2-7.3109.1E156 L166E156-R168 VanDerWaalsContact CD-CZ 3.47Å; E156-R168 IonicContact OE1-CZ 3.56Å; E156-R168 IonicContact OE1-NE 3.66Å; E156-R168 IonicContact OE1-NH2 3.55Å; E156-R168 PolarHBondContact OE1-NH2 3.39Å; E156-R168 IonicContact OE2-CZ 3.87Å; E156-R168 VanDerWaalsContact OE2-CZ 3.24Å; E156-R168 IonicContact OE2-NE 2.79Å; E156-R168 PolarHBondContact OE2-NE 3.46Å; E156-R168 IonicContact OE2-NH2 2.79Å; E156-R168 PolarHBondContact OE2-NH2 3.13Å; L166-R168 PolarHBondContact O-N 3.37Å
169L89.9Confident84Confident16 Ų1675.7 Ų75.78%0.08438%0.378CS..BIsolated β-bridgetrans-100.9148.1178.5-58.8-170.8000112.6V157 D159 Q167 I181 D183 L184V157-L169 HydrophobicContact CB-CB 4.41Å; V157-L169 HydrophobicContact CG1-CB 4.23Å; V157-L169 PolarHBondContact O-N 3.43Å; D159-L169 HydrophobicContact CB-CD1 3.78Å; Q167-L169 HydrophobicContact CG-CD2 4.05Å; L169-I181 HydrophobicContact CB-CG2 3.48Å; L169-I181 VanDerWaalsContact CB-CG2 3.48Å; L169-I181 HydrophobicContact CD1-CG2 3.68Å; L169-I181 HydrophobicContact CG-CG2 4.24Å; L169-D183 HydrophobicContact CD2-CB 4.38Å; L169-L184 HydrophobicContact CD1-CB 4.01Å; L169-L184 HydrophobicContact CD1-CD1 3.96Å
170E88.8Confident83.8Confident111 Ų11178 Ų7852%0.51939%0.386SS..PPolyproline II helixtrans-95.5127.9-179.4-67.3176.117300110.8K172 K182E170-K172 HydrophobicContact CB-CG 4.43Å; E170-K172 WeakPolarHBondContact OE2-CE 3.37Å; E170-K172 IonicContact OE2-NZ 2.72Å; E170-K172 PolarHBondContact OE2-NZ 2.93Å; E170-K182 PolarHBondContact O-N 3.15Å
171V89.8Confident83.7Confident13 Ų1378.8 Ų78.88%0.07939%0.39CS..EExtended strand (participates in β ladder)trans-78.6123.7167.8-177.30000108.6V157 V179 I181 K301 R304 L305V157-V171 HydrophobicContact CG2-CG2 3.93Å; V171-V179 HydrophobicContact CG1-CG1 3.46Å; V171-V179 VanDerWaalsContact CG1-CG1 3.46Å; V171-I181 HydrophobicContact CG2-CG1 4.31Å; V171-K301 HydrophobicContact CB-CD 4.45Å; V171-K301 HydrophobicContact CG2-CB 4.28Å; V171-K301 HydrophobicContact CG2-CD 4.09Å; V171-K301 HydrophobicContact CG2-CG 4.5Å; V171-R304 HydrophobicContact CG1-CB 4.27Å; V171-L305 HydrophobicContact CG1-CD2 4.15Å; V171-L305 HydrophobicContact CG2-CD1 4.34Å; V171-L305 HydrophobicContact CG2-CD2 4.31Å; V171-L305 HydrophobicContact CG2-CG 4.35Å
172K87.6Confident83.4Confident70 Ų7082.5 Ų82.530%0.30441%0.406SS..EExtended strand (participates in β ladder)trans-126.1170.8179.2-57-157.1-176.1-146.80110.5E170 V179 Y180 K182E170-K172 HydrophobicContact CB-CG 4.43Å; E170-K172 WeakPolarHBondContact OE2-CE 3.37Å; E170-K172 IonicContact OE2-NZ 2.72Å; E170-K172 PolarHBondContact OE2-NZ 2.93Å; K172-V179 WeakPolarHBondContact O-CA 3.47Å; K172-Y180 HydrophobicContact CB-CD1 4.37Å; K172-Y180 HydrophobicContact CB-CE1 3.72Å; K172-Y180 HydrophobicContact CB-CE2 4.39Å; K172-Y180 PolarHBondContact N-O 3.17Å; K172-Y180 PolarHBondContact O-N 2.82Å; K172-K182 HydrophobicContact CD-CB 4.18Å; K172-K182 HydrophobicContact CD-CD 4.22Å; K172-K182 HydrophobicContact CG-CB 4.32Å
173E84.1Confident83.5Confident82 Ų8286.6 Ų86.638%0.38343%0.425SS..EExtended strand (participates in β ladder)trans-140.1139.8-174.6-166.1169162.900108.3G178 V179 R304E173-G178 WeakPolarHBondContact CA-O 3.46Å; E173-V179 HydrophobicContact CG-CG2 3.99Å; E173-R304 IonicContact OE2-CZ 3.97Å; E173-R304 IonicContact OE2-NH2 3.95Å; E173-R304 PolarHBondContact OE2-NH2 3.02Å
174R79.3Confident84Confident131 Ų13178.6 Ų78.649%0.49439%0.392SS..EExtended strand (participates in β ladder)trans-138.1151.5170.1-72171.2-178.3-165-0.5110.1D176 G178 Y180R174-D176 WeakPolarHBondContact CB-OD1 3.47Å; R174-D176 PolarHBondContact O-N 3.07Å; R174-G178 PolarHBondContact N-O 2.96Å; R174-G178 VanDerWaalsContact O-CA 3.31Å; R174-G178 WeakPolarHBondContact O-CA 3.5Å; R174-G178 PolarHBondContact O-N 3.39Å; R174-Y180 HydrophobicContact CB-CE1 4.41Å; R174-Y180 HydrophobicContact CG-CE1 3.8Å; R174-Y180 PolarHBondContact NE-OH 3.48Å
175P74.5Confident84.3Confident147 Ų14775.7 Ų75.796%0.95538%0.379SS*.THydrogen-bonded Turntrans-64.2-24.1-179.2-23.134.7000115.2
176D70.8Confident84.8Confident122 Ų12276 Ų7665%0.65240%0.395SS*.THydrogen-bonded Turntrans-88-43.6-177.559.2-19.9000113R174R174-D176 WeakPolarHBondContact CB-OD1 3.47Å; R174-D176 PolarHBondContact O-N 3.07Å
177V73.1Confident85.6Confident79 Ų7973.3 Ų73.348%0.47938%0.375SS..THydrogen-bonded Turntrans-99.3-18.7-174.6177.80000113.1
178G81Confident85.9Confident24 Ų2472.8 Ų72.825%0.24738%0.378CS..EExtended strand (participates in β ladder)trans78.6-147-169.900000112.3E173 R174E173-G178 WeakPolarHBondContact CA-O 3.46Å; R174-G178 PolarHBondContact N-O 2.96Å; R174-G178 VanDerWaalsContact O-CA 3.31Å; R174-G178 WeakPolarHBondContact O-CA 3.5Å; R174-G178 PolarHBondContact O-N 3.39Å
179V86.7Confident86.1Confident18 Ų1865.2 Ų65.211%0.10935%0.35CS..EExtended strand (participates in β ladder)trans-80.8130.1178.3-176.50000110.3V171 K172 E173 R304 L305V171-V179 HydrophobicContact CG1-CG1 3.46Å; V171-V179 VanDerWaalsContact CG1-CG1 3.46Å; K172-V179 WeakPolarHBondContact O-CA 3.47Å; E173-V179 HydrophobicContact CG-CG2 3.99Å; V179-R304 HydrophobicContact CG1-CB 4.32Å; V179-L305 HydrophobicContact CG1-CD2 4.25Å
180Y87.9Confident86Confident59 Ų5970.2 Ų70.223%0.23138%0.377CS..EExtended strand (participates in β ladder)trans-144.6165.5179.873.2-75000111.5K172 R174K172-Y180 HydrophobicContact CB-CD1 4.37Å; K172-Y180 HydrophobicContact CB-CE1 3.72Å; K172-Y180 HydrophobicContact CB-CE2 4.39Å; K172-Y180 PolarHBondContact N-O 3.17Å; K172-Y180 PolarHBondContact O-N 2.82Å; R174-Y180 HydrophobicContact CB-CE1 4.41Å; R174-Y180 HydrophobicContact CG-CE1 3.8Å; R174-Y180 PolarHBondContact NE-OH 3.48Å
181I91.1Very high85.9Confident18 Ų1867.5 Ų67.59%0.09237%0.366CS..EExtended strand (participates in β ladder)trans-103.2124.7176.6-62.6159.4000108.1L150 V157 L169 V171 L184 L305L150-I181 HydrophobicContact CD1-CD1 4.34Å; L150-I181 HydrophobicContact CD2-CD1 3.52Å; L150-I181 HydrophobicContact CG-CD1 4.46Å; V157-I181 HydrophobicContact CG1-CD1 3.89Å; V157-I181 HydrophobicContact CG1-CG1 4.44Å; V157-I181 HydrophobicContact CG1-CG2 4.23Å; L169-I181 HydrophobicContact CB-CG2 3.48Å; L169-I181 VanDerWaalsContact CB-CG2 3.48Å; L169-I181 HydrophobicContact CD1-CG2 3.68Å; L169-I181 HydrophobicContact CG-CG2 4.24Å; V171-I181 HydrophobicContact CG2-CG1 4.31Å; I181-L184 HydrophobicContact CB-CB 3.98Å; I181-L184 HydrophobicContact CB-CD2 4.22Å; I181-L184 HydrophobicContact CD1-CD2 4.09Å; I181-L184 HydrophobicContact CG2-CB 3.88Å; I181-L305 HydrophobicContact CD1-CD1 3.98Å; I181-L305 HydrophobicContact CD1-CD2 3.71Å; I181-L305 HydrophobicContact CG1-CD1 4.48Å; I181-L305 HydrophobicContact CG1-CD2 3.63Å
182K87.9Confident85.8Confident83 Ų8367.6 Ų67.636%0.36137%0.368SS..THydrogen-bonded Turntrans-70.2137.1176.9-167-168.1169-95.80109.6E170 K172 L184E170-K182 PolarHBondContact O-N 3.15Å; K172-K182 HydrophobicContact CD-CB 4.18Å; K172-K182 HydrophobicContact CD-CD 4.22Å; K172-K182 HydrophobicContact CG-CB 4.32Å; K182-L184 PolarHBondContact O-N 3.44Å
183D88.3Confident85.8Confident99 Ų9966.4 Ų66.453%0.52937%0.365SS..THydrogen-bonded Turntrans60.817.5177-42.6-41.4000115.3L169 S185L169-D183 HydrophobicContact CD2-CB 4.38Å; D183-S185 PolarHBondContact O-N 3.31Å
184L91.7Very high86Confident46 Ų4664.1 Ų64.124%0.24136%0.355CS..  trans-66.1129.5170.2-179.267.1000110.2L150 D159 L169 I181 K182L150-L184 HydrophobicContact CB-CD1 4.19Å; L150-L184 HydrophobicContact CD2-CD2 4.05Å; D159-L184 HydrophobicContact CB-CD1 3.93Å; L169-L184 HydrophobicContact CD1-CB 4.01Å; L169-L184 HydrophobicContact CD1-CD1 3.96Å; I181-L184 HydrophobicContact CB-CB 3.98Å; I181-L184 HydrophobicContact CB-CD2 4.22Å; I181-L184 HydrophobicContact CD1-CD2 4.09Å; I181-L184 HydrophobicContact CG2-CB 3.88Å; K182-L184 PolarHBondContact O-N 3.44Å
185S90.8Very high86.6Confident24 Ų2457.9 Ų57.917%0.16833%0.332CS..  trans-70.9139.4177.366.60000112.1S148 D159 D183 Y187S148-S185 WeakPolarHBondContact CB-O 3.43Å; D159-S185 PolarHBondContact OD1-OG 3.15Å; D159-S185 VanDerWaalsContact OD1-OG 3.06Å; D159-S185 WeakPolarHBondContact OD2-CB 3.36Å; D159-S185 PolarHBondContact OD2-N 2.88Å; D159-S185 PolarHBondContact OD2-OG 2.88Å; D183-S185 PolarHBondContact O-N 3.31Å; S185-Y187 WeakPolarHBondContact OG-CE2 3.32Å
186G89.6Confident87.3Confident55 Ų5552.1 Ų52.157%0.56729%0.293SS*.  trans-127.1129.217400000109.6V147V147-G186 WeakPolarHBondContact O-CA 3.48Å
187Y92.9Very high88.2Confident88 Ų8853.1 Ų53.135%0.34529%0.288SS..EExtended strand (participates in β ladder)trans-112.5130.6-177.6-72.6-97.1000110.1R146 V147 L161 S185 I198R146-Y187 CarbonylContact C-O 3.58Å; R146-Y187 VanDerWaalsContact CA-O 3.3Å; R146-Y187 WeakPolarHBondContact CA-O 3.34Å; V147-Y187 PolarHBondContact N-O 3.22Å; V147-Y187 PolarHBondContact O-N 3.15Å; L161-Y187 HydrophobicContact CB-CD2 4.03Å; L161-Y187 HydrophobicContact CB-CE2 3.52Å; L161-Y187 HydrophobicContact CD1-CD2 3.79Å; L161-Y187 HydrophobicContact CD1-CE2 4.18Å; L161-Y187 HydrophobicContact CG-CE2 4.49Å; L161-Y187 PolarHBondContact O-OH 3.03Å; L161-Y187 VanDerWaalsContact O-OH 3.1Å; S185-Y187 WeakPolarHBondContact OG-CE2 3.32Å; Y187-I198 HydrophobicContact CG-CD1 4.35Å
188V92.4Very high89.2Confident81 Ų8150.5 Ų50.549%0.49127%0.271SS..EExtended strand (participates in β ladder)trans-74.6135.3170.6179.30000108.9L144 V145 R146L144-V188 HydrophobicContact CD1-CG1 3.62Å; L144-V188 HydrophobicContact CD1-CG2 4.17Å; V145-V188 WeakPolarHBondContact O-CA 3.33Å; R146-V188 HydrophobicContact CG-CG2 4.17Å
189V90.7Very high89.7Confident4 Ų449.4 Ų49.42%0.02426%0.259CS..EExtended strand (participates in β ladder)trans-127.7142.6-179.9-67.80000110.3F131 V145 V147 D194 M195 I198F131-V189 HydrophobicContact CE2-CG2 4.41Å; F131-V189 HydrophobicContact CZ-CG2 4.14Å; V145-V189 HydrophobicContact CB-CG2 3.79Å; V145-V189 HydrophobicContact CG1-CG2 3.5Å; V145-V189 VanDerWaalsContact CG1-CG2 3.5Å; V145-V189 PolarHBondContact O-N 2.67Å; V147-V189 HydrophobicContact CG1-CG1 4.47Å; V147-V189 HydrophobicContact CG1-CG2 4.01Å; V147-V189 HydrophobicContact CG2-CG1 3.74Å; V189-D194 HydrophobicContact CB-CB 3.98Å; V189-D194 HydrophobicContact CG1-CB 3.96Å; V189-M195 HydrophobicContact CB-CG 4.09Å; V189-M195 HydrophobicContact CG1-CG 4.16Å; V189-M195 HydrophobicContact CG2-CG 3.74Å; V189-M195 HydrophobicContact CG2-SD 4.26Å; V189-I198 HydrophobicContact CG1-CD1 3.41Å; V189-I198 VanDerWaalsContact CG1-CD1 3.41Å
190N86.3Confident89.8Confident121 Ų12151.7 Ų51.765%0.64727%0.273SS*.  trans-117.6-5.2-173-50.9-73000113.6F131 D194F131-N190 VanDerWaalsContact CE1-C 3.4Å; N190-D194 PolarHBondContact N-OD2 3.29Å
191N86.8Confident90Very high53 Ų5352.6 Ų52.628%0.28328%0.282SS..SBendtrans-161167.8-179.152.675.5000110.4F131 D193 D194 M195F131-N191 WeakPolarHBondContact CE2-O 3.47Å; N191-D193 VanDerWaalsContact C-N 3.34Å; N191-D193 PolarHBondContact O-N 3.49Å; N191-D193 PolarHBondContact OD1-N 2.92Å; N191-D194 PolarHBondContact ND2-OD2 3.36Å; N191-D194 PolarHBondContact O-N 2.89Å; N191-D194 PolarHBondContact OD1-N 2.79Å; N191-D194 PolarHBondContact OD1-OD2 3.39Å; N191-M195 PolarHBondContact O-N 2.9Å
192A88.3Confident90Very high15 Ų1551.7 Ų51.712%0.12428%0.277CS..Hα-helixtrans-63.9-35.7-178.900000112.9F127 F131 D194 M195 D196F127-A192 HydrophobicContact CB-CB 4.23Å; F131-A192 HydrophobicContact CD2-CB 4.14Å; F131-A192 VanDerWaalsContact CD2-N 3.25Å; A192-D194 VanDerWaalsContact C-N 3.33Å; A192-D194 PolarHBondContact O-N 2.99Å; A192-M195 WeakPolarHBondContact O-CB 3.1Å; A192-M195 PolarHBondContact O-N 3.07Å; A192-M195 VanDerWaalsContact O-N 3.15Å; A192-D196 PolarHBondContact O-N 3.05Å
193D87.1Confident89.9Confident45 Ų4551.5 Ų51.524%0.24128%0.277CS..Hα-helixtrans-65.9-32.3177.9-64.7-66.2000112.9N191 D196 R197 L486N191-D193 VanDerWaalsContact C-N 3.34Å; N191-D193 PolarHBondContact O-N 3.49Å; N191-D193 PolarHBondContact OD1-N 2.92Å; D193-D196 PolarHBondContact O-N 2.95Å; D193-R197 WeakPolarHBondContact O-CB 3.46Å; D193-R197 VanDerWaalsContact O-CG 3.27Å; D193-R197 WeakPolarHBondContact O-CG 3.48Å; D193-R197 PolarHBondContact O-N 2.93Å; D193-L486 WeakPolarHBondContact OD2-CB 3.38Å
194D89.4Confident89.8Confident34 Ų3453.2 Ų53.218%0.18228%0.28CS..Hα-helixtrans-62.5-43171.7-77.1-30.9000111.1V189 N190 N191 A192 R197 I198V189-D194 HydrophobicContact CB-CB 3.98Å; V189-D194 HydrophobicContact CG1-CB 3.96Å; N190-D194 PolarHBondContact N-OD2 3.29Å; N191-D194 PolarHBondContact ND2-OD2 3.36Å; N191-D194 PolarHBondContact O-N 2.89Å; N191-D194 PolarHBondContact OD1-N 2.79Å; N191-D194 PolarHBondContact OD1-OD2 3.39Å; A192-D194 VanDerWaalsContact C-N 3.33Å; A192-D194 PolarHBondContact O-N 2.99Å; D194-R197 PolarHBondContact O-N 2.72Å; D194-R197 IonicContact OD1-CZ 3.36Å; D194-R197 IonicContact OD1-NE 3.29Å; D194-R197 PolarHBondContact OD1-NE 3.22Å; D194-R197 IonicContact OD1-NH2 2.67Å; D194-R197 PolarHBondContact OD1-NH2 2.91Å; D194-I198 WeakPolarHBondContact O-CB 3.36Å; D194-I198 VanDerWaalsContact O-CG1 3.3Å; D194-I198 WeakPolarHBondContact O-CG1 3.44Å; D194-I198 PolarHBondContact O-N 2.99Å
195M90.4Very high89.5Confident0 Ų052.8 Ų52.80%028%0.278CS..Hα-helixtrans-63.8-44.1173.7-70.5-150.5-9100111.6F127 I130 F131 V147 V189 N191 A192 R197 I198 M199 I226F127-M195 HydrophobicContact CB-CB 4.36Å; F127-M195 HydrophobicContact CB-CE 3.87Å; F127-M195 HydrophobicContact CD1-CB 3.92Å; F127-M195 HydrophobicContact CD1-CE 3.65Å; F127-M195 HydrophobicContact CD1-CG 4.37Å; F127-M195 HydrophobicContact CD1-SD 3.57Å; F127-M195 VanDerWaalsContact CD1-SD 3.57Å; F127-M195 HydrophobicContact CD2-CB 3.66Å; F127-M195 HydrophobicContact CE1-CB 4.05Å; F127-M195 HydrophobicContact CE1-SD 3.85Å; F127-M195 HydrophobicContact CE2-CB 3.8Å; F127-M195 HydrophobicContact CG-CB 3.73Å; F127-M195 HydrophobicContact CG-CE 3.99Å; F127-M195 HydrophobicContact CG-SD 4.18Å; F127-M195 HydrophobicContact CZ-CB 3.98Å; I130-M195 HydrophobicContact CG2-CE 4.41Å; F131-M195 HydrophobicContact CD2-CE 3.61Å; F131-M195 HydrophobicContact CE2-CE 3.36Å; F131-M195 HydrophobicContact CE2-CG 4.16Å; F131-M195 HydrophobicContact CE2-SD 4.4Å; F131-M195 HydrophobicContact CZ-CE 4.45Å; V147-M195 HydrophobicContact CG1-CG 4.05Å; V147-M195 HydrophobicContact CG1-SD 3.67Å; V189-M195 HydrophobicContact CB-CG 4.09Å; V189-M195 HydrophobicContact CG1-CG 4.16Å; V189-M195 HydrophobicContact CG2-CG 3.74Å; V189-M195 HydrophobicContact CG2-SD 4.26Å; N191-M195 PolarHBondContact O-N 2.9Å; A192-M195 WeakPolarHBondContact O-CB 3.1Å; A192-M195 PolarHBondContact O-N 3.07Å; A192-M195 VanDerWaalsContact O-N 3.15Å; M195-R197 PolarHBondContact O-N 2.72Å; M195-I198 PolarHBondContact O-N 3.09Å; M195-M199 WeakPolarHBondContact O-CB 3.5Å; M195-M199 PolarHBondContact O-N 3.45Å; M195-I226 HydrophobicContact CE-CD1 4.37Å; M195-I226 HydrophobicContact SD-CD1 3.9Å; M195-I226 HydrophobicContact SD-CG1 4.38Å; M195-I226 HydrophobicContact SD-CG2 4.39Å
196D89.6Confident89.2Confident26 Ų2652.5 Ų52.514%0.13927%0.273CS..Hα-helixtrans-65-36.3177.8-112-17.4000112.4R114 A192 D193 T200R114-D196 IonicContact CZ-OD1 2.68Å; R114-D196 VanDerWaalsContact CZ-OD1 3.24Å; R114-D196 IonicContact NE-OD1 2.72Å; R114-D196 PolarHBondContact NE-OD1 2.95Å; R114-D196 PolarHBondContact NH2-O 3Å; R114-D196 IonicContact NH2-OD1 2.85Å; R114-D196 PolarHBondContact NH2-OD1 3.5Å; R114-D196 IonicContact NH2-OD2 3.99Å; A192-D196 PolarHBondContact O-N 3.05Å; D193-D196 PolarHBondContact O-N 2.95Å; D196-T200 WeakPolarHBondContact O-CB 3.46Å; D196-T200 PolarHBondContact O-N 3.24Å; D196-T200 PolarHBondContact O-OG1 3.14Å
197R91.1Very high88.3Confident144 Ų14452.5 Ų52.554%0.54326%0.264SS..Hα-helixtrans-63.5-46.8172-79.9-171.3-78.6-1147111.4D193 D194 M195 T200 L201D193-R197 WeakPolarHBondContact O-CB 3.46Å; D193-R197 VanDerWaalsContact O-CG 3.27Å; D193-R197 WeakPolarHBondContact O-CG 3.48Å; D193-R197 PolarHBondContact O-N 2.93Å; D194-R197 PolarHBondContact O-N 2.72Å; D194-R197 IonicContact OD1-CZ 3.36Å; D194-R197 IonicContact OD1-NE 3.29Å; D194-R197 PolarHBondContact OD1-NE 3.22Å; D194-R197 IonicContact OD1-NH2 2.67Å; D194-R197 PolarHBondContact OD1-NH2 2.91Å; M195-R197 PolarHBondContact O-N 2.72Å; R197-T200 WeakPolarHBondContact O-CB 3.4Å; R197-T200 PolarHBondContact O-N 2.8Å; R197-L201 PolarHBondContact O-N 2.85Å
198I92.9Very high86.9Confident24 Ų2453.5 Ų53.512%0.12328%0.279CS..Hα-helixtrans-66.2-42.4179.6-72.7170.4000111.4V147 L161 Y187 V189 D194 M195 T200 L201 G202 F224V147-I198 HydrophobicContact CG2-CB 4.46Å; V147-I198 HydrophobicContact CG2-CD1 3.64Å; V147-I198 HydrophobicContact CG2-CG2 3.86Å; L161-I198 HydrophobicContact CD1-CG2 3.46Å; L161-I198 VanDerWaalsContact CD1-CG2 3.46Å; L161-I198 HydrophobicContact CD2-CG2 3.6Å; L161-I198 HydrophobicContact CG-CG2 4.17Å; Y187-I198 HydrophobicContact CG-CD1 4.35Å; V189-I198 HydrophobicContact CG1-CD1 3.41Å; V189-I198 VanDerWaalsContact CG1-CD1 3.41Å; D194-I198 WeakPolarHBondContact O-CB 3.36Å; D194-I198 VanDerWaalsContact O-CG1 3.3Å; D194-I198 WeakPolarHBondContact O-CG1 3.44Å; D194-I198 PolarHBondContact O-N 2.99Å; M195-I198 PolarHBondContact O-N 3.09Å; I198-T200 VanDerWaalsContact C-N 3.29Å; I198-T200 PolarHBondContact O-N 3.49Å; I198-L201 WeakPolarHBondContact O-CB 3.3Å; I198-L201 PolarHBondContact O-N 3.02Å; I198-G202 PolarHBondContact O-N 2.81Å; I198-F224 HydrophobicContact CG2-CE2 4.49Å
199M91.1Very high85.1Confident1 Ų151.6 Ų51.61%0.00528%0.276CS..Hα-helixtrans-59.8-41.4174.3-171.4-179.3-174.400111.4E111 I123 F127 M195 G202 H203 F224E111-M199 HydrophobicContact CB-CE 4Å; E111-M199 HydrophobicContact CG-CE 3.63Å; I123-M199 HydrophobicContact CB-CE 4.1Å; I123-M199 HydrophobicContact CB-SD 4.38Å; I123-M199 HydrophobicContact CD1-CE 3.67Å; I123-M199 HydrophobicContact CG1-CE 4.48Å; I123-M199 HydrophobicContact CG2-CE 3.73Å; I123-M199 HydrophobicContact CG2-SD 3.53Å; I123-M199 VanDerWaalsContact CG2-SD 3.53Å; F127-M199 HydrophobicContact CE2-CB 4.27Å; F127-M199 HydrophobicContact CE2-SD 3.97Å; F127-M199 HydrophobicContact CZ-CB 4.36Å; F127-M199 HydrophobicContact CZ-SD 4.03Å; M195-M199 WeakPolarHBondContact O-CB 3.5Å; M195-M199 PolarHBondContact O-N 3.45Å; M199-G202 PolarHBondContact O-N 2.87Å; M199-H203 WeakPolarHBondContact O-CB 3.35Å; M199-H203 PolarHBondContact O-N 3.45Å; M199-F224 HydrophobicContact CB-CE2 4.12Å; M199-F224 HydrophobicContact CG-CE2 4.47Å
200T90.8Very high83.4Confident66 Ų6653 Ų5341%0.40529%0.289SS..Hα-helixtrans-64.5-40.4176.4-53.10000112.4R114 D196 R197 I198 K204R114-T200 PolarHBondContact NH1-OG1 3.47Å; R114-T200 PolarHBondContact NH2-OG1 3.13Å; D196-T200 WeakPolarHBondContact O-CB 3.46Å; D196-T200 PolarHBondContact O-N 3.24Å; D196-T200 PolarHBondContact O-OG1 3.14Å; R197-T200 WeakPolarHBondContact O-CB 3.4Å; R197-T200 PolarHBondContact O-N 2.8Å; I198-T200 VanDerWaalsContact C-N 3.29Å; I198-T200 PolarHBondContact O-N 3.49Å; T200-K204 WeakPolarHBondContact O-CB 3.28Å; T200-K204 PolarHBondContact O-N 3.49Å
201L91.4Very high81.5Confident77 Ų7752.5 Ų52.540%0.40329%0.29SS..Hα-helixtrans-60.7-49.4174.2176.261.6000111R197 I198 K204 N205R197-L201 PolarHBondContact O-N 2.85Å; I198-L201 WeakPolarHBondContact O-CB 3.3Å; I198-L201 PolarHBondContact O-N 3.02Å; L201-K204 WeakPolarHBondContact O-CB 3.44Å; L201-K204 PolarHBondContact O-N 2.85Å; L201-N205 PolarHBondContact O-N 2.84Å
202G90.2Very high79.1Confident0 Ų058.4 Ų58.40%032%0.321CS..Hα-helixtrans-64.4-40.3178.500000113.3L160 I198 M199 K204 N205 R206L160-G202 WeakPolarHBondContact O-CA 3.48Å; I198-G202 PolarHBondContact O-N 2.81Å; M199-G202 PolarHBondContact O-N 2.87Å; G202-K204 VanDerWaalsContact C-N 3.33Å; G202-K204 PolarHBondContact O-N 3.07Å; G202-N205 PolarHBondContact O-N 2.93Å; G202-R206 WeakPolarHBondContact O-CB 3.49Å; G202-R206 PolarHBondContact O-N 3.45Å
203H85.4Confident76.7Confident78 Ų7864.4 Ų64.436%0.36135%0.349SS..Hα-helixtrans-61-42173.3-176-68.7000111.6E111 M199 R206 S207E111-H203 IonicContact OE2-CD2 3.66Å; M199-H203 WeakPolarHBondContact O-CB 3.35Å; M199-H203 PolarHBondContact O-N 3.45Å; H203-R206 PolarHBondContact O-N 2.86Å; H203-S207 PolarHBondContact CE1-OG 2.79Å; H203-S207 VanDerWaalsContact CE1-OG 3.25Å; H203-S207 PolarHBondContact ND1-OG 2.88Å; H203-S207 WeakPolarHBondContact O-CB 3.36Å; H203-S207 PolarHBondContact O-N 2.79Å; H203-S207 PolarHBondContact O-OG 2.85Å
204K86.2Confident74.7Confident136 Ų13664.1 Ų64.159%0.59135%0.347SS*.Hα-helixtrans-61.4-44.9175.7-176.3-178.6178.2-177.30111.2T200 L201 G202 S207 V208T200-K204 WeakPolarHBondContact O-CB 3.28Å; T200-K204 PolarHBondContact O-N 3.49Å; L201-K204 WeakPolarHBondContact O-CB 3.44Å; L201-K204 PolarHBondContact O-N 2.85Å; G202-K204 VanDerWaalsContact C-N 3.33Å; G202-K204 PolarHBondContact O-N 3.07Å; K204-S207 WeakPolarHBondContact O-CB 3.42Å; K204-S207 PolarHBondContact O-N 3.44Å; K204-V208 WeakPolarHBondContact O-CG2 3.46Å; K204-V208 PolarHBondContact O-N 3.11Å
205N86.7Confident73.2Confident36 Ų3669.4 Ų69.419%0.19337%0.371CS..Hα-helixtrans-65.3-43.5178.7-70.7-12000111.8L160 Q165 L201 G202 S207 V208 G209L160-N205 PolarHBondContact O-ND2 3.28Å; Q165-N205 HydrophobicContact CG-CB 4.17Å; Q165-N205 PolarHBondContact NE2-ND2 2.75Å; L201-N205 PolarHBondContact O-N 2.84Å; G202-N205 PolarHBondContact O-N 2.93Å; N205-S207 VanDerWaalsContact C-N 3.26Å; N205-S207 PolarHBondContact O-N 2.87Å; N205-V208 PolarHBondContact O-N 3.2Å; N205-G209 PolarHBondContact O-N 3.25Å
206R83.8Confident71.7Confident19 Ų1970 Ų707%0.07237%0.373CS..Hα-helixtrans-54.8-41.2170.8-160.8-177.6-178.6-163.6-2.6111.9E151 L160 G202 H203 S217 S220E151-R206 WeakPolarHBondContact OE1-CG 3.13Å; E151-R206 IonicContact OE1-NE 3.24Å; E151-R206 PolarHBondContact OE1-NE 3.22Å; L160-R206 HydrophobicContact CD1-CB 4.3Å; L160-R206 HydrophobicContact CD2-CB 3.95Å; L160-R206 HydrophobicContact CD2-CG 4.39Å; G202-R206 WeakPolarHBondContact O-CB 3.49Å; G202-R206 PolarHBondContact O-N 3.45Å; H203-R206 PolarHBondContact O-N 2.86Å; R206-S217 PolarHBondContact NH2-O 2.82Å; R206-S220 PolarHBondContact NE-OG 2.9Å; R206-S220 PolarHBondContact NH2-O 3.4Å; R206-S220 PolarHBondContact NH2-OG 3.29Å
207S71Confident70.5Confident54 Ų5471.4 Ų71.438%0.37839%0.385SS..Hα-helixtrans-74.2-33.4179.4-560000113.5H203 K204 N205 G209 A210H203-S207 PolarHBondContact CE1-OG 2.79Å; H203-S207 VanDerWaalsContact CE1-OG 3.25Å; H203-S207 PolarHBondContact ND1-OG 2.88Å; H203-S207 WeakPolarHBondContact O-CB 3.36Å; H203-S207 PolarHBondContact O-N 2.79Å; H203-S207 PolarHBondContact O-OG 2.85Å; K204-S207 WeakPolarHBondContact O-CB 3.42Å; K204-S207 PolarHBondContact O-N 3.44Å; N205-S207 VanDerWaalsContact C-N 3.26Å; N205-S207 PolarHBondContact O-N 2.87Å; S207-G209 VanDerWaalsContact C-N 3.3Å; S207-G209 PolarHBondContact O-N 3.36Å; S207-A210 WeakPolarHBondContact O-CA 3.33Å; S207-A210 VanDerWaalsContact O-CB 3.28Å; S207-A210 WeakPolarHBondContact O-CB 3.36Å; S207-A210 PolarHBondContact O-N 2.97Å
208V63.2Low69.5Low109 Ų10965.3 Ų65.366%0.66137%0.365SS*.Hα-helixtrans-70.4-28.2177.4169.50000111.6K204 N205 A210K204-V208 WeakPolarHBondContact O-CG2 3.46Å; K204-V208 PolarHBondContact O-N 3.11Å; N205-V208 PolarHBondContact O-N 3.2Å; V208-A210 PolarHBondContact O-N 2.9Å
209G55.4Low68.8Low41 Ų4167.1 Ų67.142%0.42337%0.37SS..Hα-helixtrans-64.9-25.5167.200000113.7N205 S207 T211N205-G209 PolarHBondContact O-N 3.25Å; S207-G209 VanDerWaalsContact C-N 3.3Å; S207-G209 PolarHBondContact O-N 3.36Å; G209-T211 PolarHBondContact O-N 3.05Å
210A55.4Low68.5Low35 Ų3567 Ų6729%0.28937%0.37SS..SBendtrans-78.883.7174.900000110.9S207 V208 H216S207-A210 WeakPolarHBondContact O-CA 3.33Å; S207-A210 VanDerWaalsContact O-CB 3.28Å; S207-A210 WeakPolarHBondContact O-CB 3.36Å; S207-A210 PolarHBondContact O-N 2.97Å; V208-A210 PolarHBondContact O-N 2.9Å; A210-H216 HydrophobicContact CB-CB 3.65Å
211T44.4Very low68.5Low109 Ų10964.1 Ų64.167%0.66935%0.351SS*.  trans-57.1154.7163.748.10000110.8G209 M213 N214G209-T211 PolarHBondContact O-N 3.05Å; T211-M213 PolarHBondContact O-N 3.49Å; T211-N214 PolarHBondContact O-N 3.32Å
212N37.8Very low68.6Low177 Ų17760.5 Ų60.595%0.94733%0.333SS*.THydrogen-bonded Turntrans-59.117.6-164.8-124.211.8000117.6
213M37.8Very low68.9Low142 Ų14260.7 Ų60.770%0.733%0.334SS*.THydrogen-bonded Turntrans-131.6-2.5-174.1-68-174.370.900115T211 R266T211-M213 PolarHBondContact O-N 3.49Å; M213-R266 PolarHBondContact O-NH2 2.67Å
214N45.7Very low69.4Low39 Ų3957 Ų5721%0.20932%0.317CS..  trans-137.7131.6180-84.1-9.6000112T211 H216 R219 R266 E269T211-N214 PolarHBondContact O-N 3.32Å; N214-H216 VanDerWaalsContact C-N 3.29Å; N214-H216 PolarHBondContact O-N 3.46Å; N214-R219 VanDerWaalsContact CG-NH1 3.26Å; N214-R219 PolarHBondContact ND2-NH1 3.2Å; N214-R219 PolarHBondContact OD1-NH1 3.26Å; N214-R219 VanDerWaalsContact OD1-NH1 3.07Å; N214-R266 PolarHBondContact OD1-NE 2.98Å; N214-R266 VanDerWaalsContact OD1-NE 3.14Å; N214-R266 PolarHBondContact OD1-NH2 2.83Å; N214-E269 PolarHBondContact ND2-OE1 2.87Å; N214-E269 PolarHBondContact ND2-OE2 3.23Å
215E56.4Low69.9Low144 Ų14451 Ų5167%0.67329%0.291SS*.  trans-77.174.9170.9-171.7171.4-166.800110.1S217 S218E215-S217 VanDerWaalsContact C-N 3.33Å; E215-S217 PolarHBondContact O-N 2.8Å; E215-S218 PolarHBondContact O-N 3.38Å; E215-S218 PolarHBondContact O-OG 3.29Å
216H59.9Low70.4Confident13 Ų1349.3 Ų49.36%0.0628%0.282CS..G310 helixtrans-61-30.1-161.8-162.2-98.2000115.3E151 Y153 A210 N214 S218 R219 S220E151-H216 IonicContact OE1-CE1 3.54Å; E151-H216 PolarHBondContact OE1-CE1 2.62Å; E151-H216 VanDerWaalsContact OE1-CE1 3.22Å; E151-H216 IonicContact OE1-ND1 3.07Å; E151-H216 PolarHBondContact OE1-ND1 3.06Å; E151-H216 VanDerWaalsContact OE1-ND1 3.16Å; E151-H216 IonicContact OE2-CE1 3.73Å; E151-H216 PolarHBondContact OE2-CE1 2.76Å; Y153-H216 AromaticContact CD1-NE2 3.91Å; Y153-H216 AromaticContact CD2-CE1 3.93Å; Y153-H216 AromaticContact CD2-NE2 3.6Å; Y153-H216 AromaticContact CE1-NE2 3.85Å; Y153-H216 AromaticContact CE2-NE2 3.54Å; Y153-H216 AromaticContact CG-CE1 3.99Å; Y153-H216 AromaticContact CG-NE2 3.77Å; Y153-H216 AromaticContact CZ-NE2 3.65Å; A210-H216 HydrophobicContact CB-CB 3.65Å; N214-H216 VanDerWaalsContact C-N 3.29Å; N214-H216 PolarHBondContact O-N 3.46Å; H216-S218 PolarHBondContact O-N 3.49Å; H216-R219 PolarHBondContact O-N 3.41Å; H216-S220 PolarHBondContact O-N 2.82Å; H216-S220 PolarHBondContact O-OG 3.34Å
217S64.1Low70.9Confident55 Ų5549.4 Ų49.439%0.38529%0.285SS..G310 helixtrans-61.8-27.2-179.253.30000113.6R206 E215 R219R206-S217 PolarHBondContact NH2-O 2.82Å; E215-S217 VanDerWaalsContact C-N 3.33Å; E215-S217 PolarHBondContact O-N 2.8Å; S217-R219 PolarHBondContact O-N 3.48Å
218S70.3Confident72Confident16 Ų1646.9 Ų46.911%0.11227%0.267CS..G310 helixtrans-71.7-13.8173.4630000114T102 E215 H216 A252 G253T102-S218 VanDerWaalsContact OG1-CB 3.29Å; T102-S218 WeakPolarHBondContact OG1-CB 3.33Å; E215-S218 PolarHBondContact O-N 3.38Å; E215-S218 PolarHBondContact O-OG 3.29Å; H216-S218 PolarHBondContact O-N 3.49Å; S218-A252 WeakPolarHBondContact O-CB 3.28Å; S218-G253 PolarHBondContact O-N 2.99Å
219R77.3Confident73.3Confident62 Ų6244.2 Ų44.223%0.23425%0.248CC..SBendtrans-121.31.1-163.9-68.8-159.9-169.3159.98.6114.8Y153 N214 H216 S217 E269 I273Y153-R219 WeakPolarHBondContact CD2-O 3.48Å; Y153-R219 HydrophobicContact CE2-CB 4.38Å; N214-R219 VanDerWaalsContact CG-NH1 3.26Å; N214-R219 PolarHBondContact ND2-NH1 3.2Å; N214-R219 PolarHBondContact OD1-NH1 3.26Å; N214-R219 VanDerWaalsContact OD1-NH1 3.07Å; H216-R219 PolarHBondContact O-N 3.41Å; S217-R219 PolarHBondContact O-N 3.48Å; R219-E269 WeakPolarHBondContact CD-OE1 3.36Å; R219-E269 IonicContact CZ-OE1 3.35Å; R219-E269 IonicContact NE-OE1 3.54Å; R219-E269 IonicContact NH1-OE1 2.84Å; R219-E269 PolarHBondContact NH1-OE1 3.43Å; R219-E269 IonicContact NH1-OE2 3.79Å; R219-I273 HydrophobicContact CB-CD1 3.52Å; R219-I273 HydrophobicContact CG-CD1 3.77Å; R219-I273 WeakPolarHBondContact O-CD1 3.44Å; R219-I273 VanDerWaalsContact O-CG1 3.32Å; R219-I273 WeakPolarHBondContact O-CG1 3.38Å
220S85.8Confident75Confident0 Ų042.5 Ų42.50%023%0.229CC..SBendtrans-136.3149.9177.863.90000110.7E151 I152 R206 H216E151-S220 WeakPolarHBondContact OE1-CB 3.41Å; E151-S220 PolarHBondContact OE1-OG 3.29Å; I152-S220 WeakPolarHBondContact O-CA 3.29Å; I152-S220 WeakPolarHBondContact O-CB 3.41Å; R206-S220 PolarHBondContact NE-OG 2.9Å; R206-S220 PolarHBondContact NH2-O 3.4Å; R206-S220 PolarHBondContact NH2-OG 3.29Å; H216-S220 PolarHBondContact O-N 2.82Å; H216-S220 PolarHBondContact O-OG 3.34Å
221H91Very high76.5Confident4 Ų441.6 Ų41.62%0.01922%0.221CC..EExtended strand (participates in β ladder)trans-90.6133171.7-48.6-73.1000108.5E151 I152 D250 L251 A252 S276 L302E151-H221 CarbonylContact C-O 3.46Å; E151-H221 WeakPolarHBondContact CA-O 3.18Å; I152-H221 HydrophobicContact CB-CB 4.28Å; I152-H221 PolarHBondContact N-O 3.42Å; I152-H221 PolarHBondContact O-N 3.27Å; H221-D250 WeakPolarHBondContact CA-O 3.41Å; H221-L251 HydrophobicContact CB-CD2 4.26Å; H221-L251 WeakPolarHBondContact ND1-CA 3.49Å; H221-L251 VanDerWaalsContact ND1-CD2 3.34Å; H221-L251 WeakPolarHBondContact ND1-CD2 3.38Å; H221-A252 VanDerWaalsContact CE1-CB 3.45Å; H221-A252 WeakPolarHBondContact CE1-CB 3.33Å; H221-A252 PolarHBondContact CE1-N 3.04Å; H221-A252 PolarHBondContact ND1-N 3.31Å; H221-S276 PolarHBondContact NE2-OG 3.08Å; H221-L302 HydrophobicContact CB-CD1 4.26Å
222A92.8Very high78.4Confident2 Ų239.9 Ų39.92%0.01721%0.205CC..EExtended strand (participates in β ladder)trans-111.8129.5174.300000109.3Y149 L150 V249 D250Y149-A222 HydrophobicContact CE2-CB 3.95Å; L150-A222 WeakPolarHBondContact O-CA 3.44Å; A222-V249 WeakPolarHBondContact O-CA 3.42Å; A222-D250 PolarHBondContact N-O 2.98Å; A222-D250 PolarHBondContact O-N 3.13Å
223I95.6Very high80.4Confident4 Ų437.4 Ų37.42%0.02119%0.186CC..EExtended strand (participates in β ladder)trans-122.5105.3179.5-54.6-177.2000108.3L150 I152 V249 L302L150-I223 HydrophobicContact CD1-CB 4.06Å; L150-I223 HydrophobicContact CD1-CD1 4.28Å; L150-I223 HydrophobicContact CD1-CG1 4.28Å; L150-I223 HydrophobicContact CD2-CB 4.24Å; L150-I223 HydrophobicContact CG-CB 3.95Å; L150-I223 PolarHBondContact N-O 2.96Å; L150-I223 VanDerWaalsContact N-O 3.13Å; L150-I223 PolarHBondContact O-N 3.06Å; I152-I223 HydrophobicContact CD1-CD1 4.04Å; I223-V249 HydrophobicContact CG1-CG1 4.08Å; I223-V249 HydrophobicContact CG1-CG2 4.12Å; I223-V249 HydrophobicContact CG2-CG2 4.17Å; I223-L302 HydrophobicContact CD1-CD1 4.27Å
224F96.4Very high82Confident1 Ų131.4 Ų31.40%0.00416%0.16CC..EExtended strand (participates in β ladder)trans-90.3122.1169.4-166.1-86.5000108.1F127 V147 Y149 I198 M199 I226 L248F127-F224 HydrophobicContact CE1-CD1 4.18Å; F127-F224 AromaticContact CE1-CE1 3.5Å; F127-F224 HydrophobicContact CE1-CE1 3.5Å; F127-F224 AromaticContact CE1-CZ 3.99Å; F127-F224 HydrophobicContact CE1-CZ 3.99Å; F127-F224 HydrophobicContact CZ-CD1 4.37Å; F127-F224 AromaticContact CZ-CE1 3.68Å; F127-F224 HydrophobicContact CZ-CE1 3.68Å; F127-F224 HydrophobicContact CZ-CE2 4.42Å; F127-F224 AromaticContact CZ-CZ 3.72Å; F127-F224 HydrophobicContact CZ-CZ 3.72Å; V147-F224 HydrophobicContact CB-CE1 4.32Å; V147-F224 HydrophobicContact CB-CZ 4.07Å; V147-F224 HydrophobicContact CG1-CE1 4.05Å; V147-F224 HydrophobicContact CG1-CZ 4.09Å; Y149-F224 AromaticContact CD1-CD2 3.78Å; Y149-F224 HydrophobicContact CD1-CD2 3.78Å; Y149-F224 HydrophobicContact CD1-CE2 4.23Å; Y149-F224 HydrophobicContact CD2-CB 3.88Å; Y149-F224 AromaticContact CD2-CD2 3.77Å; Y149-F224 HydrophobicContact CD2-CD2 3.77Å; Y149-F224 HydrophobicContact CD2-CG 4.31Å; Y149-F224 HydrophobicContact CE1-CD2 4.28Å; Y149-F224 HydrophobicContact CE2-CB 4.09Å; Y149-F224 HydrophobicContact CE2-CD2 4.25Å; Y149-F224 HydrophobicContact CG-CB 4.49Å; Y149-F224 AromaticContact CG-CD2 3.52Å; Y149-F224 HydrophobicContact CG-CD2 3.52Å; Y149-F224 HydrophobicContact CG-CE2 4.23Å; Y149-F224 HydrophobicContact CG-CG 4.44Å; I198-F224 HydrophobicContact CG2-CE2 4.49Å; M199-F224 HydrophobicContact CB-CE2 4.12Å; M199-F224 HydrophobicContact CG-CE2 4.47Å; F224-I226 HydrophobicContact CD1-CD1 4.46Å; F224-I226 HydrophobicContact CD1-CG1 3.93Å; F224-I226 HydrophobicContact CE1-CD1 4.15Å; F224-I226 HydrophobicContact CE1-CG1 3.73Å; F224-L248 HydrophobicContact CB-CB 4.38Å; F224-L248 PolarHBondContact N-O 3.37Å; F224-L248 PolarHBondContact O-N 3.34Å
225T96.5Very high83.1Confident9 Ų936.3 Ų36.36%0.05519%0.192CC..EExtended strand (participates in β ladder)trans-116.5127.1-176.7-55.30000110.1V147 S148 K245 L246 H247V147-T225 VanDerWaalsContact CA-O 3.32Å; V147-T225 WeakPolarHBondContact CA-O 3.32Å; S148-T225 PolarHBondContact N-O 3.32Å; S148-T225 PolarHBondContact O-N 2.91Å; T225-K245 HydrophobicContact CG2-CD 4.1Å; T225-K245 HydrophobicContact CG2-CG 3.76Å; T225-L246 CarbonylContact C-O 3.59Å; T225-L246 WeakPolarHBondContact CA-O 3.44Å; T225-H247 VanDerWaalsContact CG2-CE1 3.48Å; T225-H247 WeakPolarHBondContact CG2-CE1 3.48Å; T225-H247 WeakPolarHBondContact CG2-ND1 3.49Å; T225-H247 PolarHBondContact OG1-CE1 2.64Å; T225-H247 PolarHBondContact OG1-ND1 3.06Å
226I96.9Very high83.8Confident0 Ų033 Ų330%018%0.178CC..EExtended strand (participates in β ladder)trans-110.1121.3172.3-46.1179.6000107.4F127 I130 V145 V147 M195 F224 I228 K245 L246 L248F127-I226 HydrophobicContact CD1-CD1 4.03Å; F127-I226 HydrophobicContact CE1-CD1 3.93Å; I130-I226 HydrophobicContact CD1-CD1 3.72Å; I130-I226 HydrophobicContact CD1-CG2 4.39Å; V145-I226 HydrophobicContact CG1-CG2 3.63Å; V147-I226 HydrophobicContact CG1-CG1 4.3Å; V147-I226 HydrophobicContact CG1-CG2 4.3Å; M195-I226 HydrophobicContact CE-CD1 4.37Å; M195-I226 HydrophobicContact SD-CD1 3.9Å; M195-I226 HydrophobicContact SD-CG1 4.38Å; M195-I226 HydrophobicContact SD-CG2 4.39Å; F224-I226 HydrophobicContact CD1-CD1 4.46Å; F224-I226 HydrophobicContact CD1-CG1 3.93Å; F224-I226 HydrophobicContact CE1-CD1 4.15Å; F224-I226 HydrophobicContact CE1-CG1 3.73Å; I226-I228 HydrophobicContact CG2-CG1 4.02Å; I226-K245 CarbonylContact O-C 3.59Å; I226-K245 WeakPolarHBondContact O-CA 3.35Å; I226-L246 HydrophobicContact CB-CB 4.36Å; I226-L246 HydrophobicContact CD1-CD2 4.3Å; I226-L246 PolarHBondContact N-O 3.14Å; I226-L246 PolarHBondContact O-N 2.86Å; I226-L248 HydrophobicContact CD1-CD1 4.33Å
227T95Very high84.3Confident21 Ų2134.3 Ų34.313%0.12920%0.196CC..EExtended strand (participates in β ladder)trans-104.5124.4170.2-52.60000107.9V145 R146 M243 G244V145-T227 WeakPolarHBondContact CA-O 3.48Å; R146-T227 PolarHBondContact N-O 3.39Å; R146-T227 PolarHBondContact O-N 3.05Å; T227-M243 HydrophobicContact CG2-CG 3.89Å; T227-M243 HydrophobicContact CG2-SD 3.93Å; T227-G244 WeakPolarHBondContact CA-O 3.5Å
228I94.5Very high84.9Confident2 Ų236.4 Ų36.41%0.0120%0.203CC..EExtended strand (participates in β ladder)trans-114.7111.3178.7-52.8-178.6000106.8V88 L89 I130 F143 I226 M243 G244V88-I228 HydrophobicContact CG1-CD1 4.1Å; V88-I228 HydrophobicContact CG1-CG1 4.47Å; L89-I228 HydrophobicContact CD2-CD1 3.79Å; L89-I228 HydrophobicContact CG-CD1 4.48Å; I130-I228 HydrophobicContact CD1-CD1 4.07Å; I130-I228 HydrophobicContact CG1-CD1 4.07Å; I130-I228 HydrophobicContact CG2-CD1 3.78Å; F143-I228 HydrophobicContact CD1-CG2 4.03Å; I226-I228 HydrophobicContact CG2-CG1 4.02Å; I228-M243 CarbonylContact O-C 3.55Å; I228-M243 WeakPolarHBondContact O-CA 3.43Å; I228-G244 PolarHBondContact N-O 2.89Å; I228-G244 PolarHBondContact O-N 3.39Å
229E91Very high85.2Confident53 Ų5341.6 Ų41.625%0.24823%0.225CC..EExtended strand (participates in β ladder)trans-93125.1166.3-71.1173.1171.800107.9F143 L144 R146 R242 M243F143-E229 CarbonylContact C-O 3.55Å; F143-E229 WeakPolarHBondContact CA-O 3.38Å; L144-E229 HydrophobicContact CB-CB 4.31Å; L144-E229 PolarHBondContact N-O 3.19Å; L144-E229 PolarHBondContact O-N 3.47Å; R146-E229 IonicContact CZ-OE1 2.63Å; R146-E229 VanDerWaalsContact CZ-OE1 3.29Å; R146-E229 IonicContact CZ-OE2 2.87Å; R146-E229 IonicContact NH1-OE1 3.46Å; R146-E229 PolarHBondContact NH1-OE1 2.94Å; R146-E229 VanDerWaalsContact NH1-OE1 3.11Å; R146-E229 IonicContact NH1-OE2 2.92Å; R146-E229 PolarHBondContact NH1-OE2 3.11Å; R146-E229 VanDerWaalsContact NH2-CD 3.32Å; R146-E229 IonicContact NH2-OE1 3.96Å; R146-E229 PolarHBondContact NH2-OE1 3.32Å; R146-E229 IonicContact NH2-OE2 3.24Å; E229-R242 WeakPolarHBondContact CA-O 3.37Å; E229-M243 HydrophobicContact CG-CB 4.37Å; E229-M243 HydrophobicContact CG-CG 4.04Å
230C89.8Confident85.5Confident4 Ų439.6 Ų39.63%0.02722%0.218CC..EExtended strand (participates in β ladder)trans-113.2129.8174.4178.50000108.2F143 V241 R242F143-C230 HydrophobicContact CD1-CB 3.93Å; F143-C230 HydrophobicContact CE1-CB 3.78Å; F143-C230 VanDerWaalsContact CE1-SG 3.55Å; C230-V241 WeakPolarHBondContact O-CA 3.36Å; C230-R242 PolarHBondContact N-O 3.42Å; C230-R242 PolarHBondContact O-N 2.98Å
231S87Confident85.5Confident17 Ų1743 Ų4312%0.11924%0.239CC..EExtended strand (participates in β ladder)trans-120.7126.3173.9-174.20000109.7T141 R142 Q239 H240T141-S231 CarbonylContact C-O 3.57Å; T141-S231 WeakPolarHBondContact CA-O 3.34Å; R142-S231 PolarHBondContact N-O 3.43Å; R142-S231 PolarHBondContact O-N 3.48Å; S231-Q239 WeakPolarHBondContact OG-CG 3.43Å; S231-Q239 PolarHBondContact OG-NE2 3.34Å; S231-H240 WeakPolarHBondContact CA-O 3.48Å; S231-H240 PolarHBondContact OG-O 3.43Å
232E85.1Confident85.5Confident73 Ų7344.5 Ų44.534%0.34124%0.244SC..EExtended strand (participates in β ladder)trans-134.7141.8-172.8-175.1-176.8-179.300108.9T141 G234 H240 R242T141-E232 HydrophobicContact CG2-CB 4.49Å; E232-G234 PolarHBondContact O-N 3.23Å; E232-H240 PolarHBondContact N-O 3.18Å; E232-H240 PolarHBondContact O-N 3.14Å; E232-R242 IonicContact OE2-CZ 3.59Å; E232-R242 IonicContact OE2-NH1 3.65Å; E232-R242 PolarHBondContact OE2-NH1 2.88Å; E232-R242 IonicContact OE2-NH2 2.73Å; E232-R242 PolarHBondContact OE2-NH2 2.63Å
233K79.8Confident85.4Confident125 Ų12547.6 Ų47.654%0.54326%0.259SS..EExtended strand (participates in β ladder)trans-84.2115.5176.3-167.5175.6-178.1179.10110G237 N238K233-G237 WeakPolarHBondContact CE-O 3.49Å; K233-N238 CarbonylContact C-O 3.55Å; K233-N238 WeakPolarHBondContact CA-O 3.49Å
234G70.8Confident85.3Confident16 Ų1647.4 Ų47.417%0.16526%0.259CS..  trans-67.6165.6179.200000113.6E232 D236 G237 N238 H240E232-G234 PolarHBondContact O-N 3.23Å; G234-D236 PolarHBondContact O-N 3.34Å; G234-G237 WeakPolarHBondContact O-CA 3.46Å; G234-G237 PolarHBondContact O-N 2.84Å; G234-N238 PolarHBondContact N-O 3.42Å; G234-H240 VanDerWaalsContact CA-CD2 3.5Å; G234-H240 WeakPolarHBondContact CA-CD2 3.25Å
235V70.1Confident85.2Confident142 Ų14249.4 Ų49.486%0.86127%0.267SS*.THydrogen-bonded Turntrans-63.8-20.9175.9-150.30000112.2G237V235-G237 VanDerWaalsContact C-N 3.26Å
236D69.5Low85.2Confident73 Ų7349 Ų4939%0.3927%0.265SS..THydrogen-bonded Turntrans-80.2-4172.767.9-13.1000113.4G234 N238 H240G234-D236 PolarHBondContact O-N 3.34Å; D236-N238 VanDerWaalsContact C-N 3.29Å; D236-N238 VanDerWaalsContact CG-ND2 3.35Å; D236-N238 PolarHBondContact O-N 2.93Å; D236-N238 WeakPolarHBondContact OD1-CB 3.46Å; D236-N238 PolarHBondContact OD1-N 2.88Å; D236-N238 WeakPolarHBondContact OD2-CB 3.1Å; D236-N238 PolarHBondContact OD2-ND2 3.34Å; D236-H240 IonicContact OD1-CE1 2.74Å; D236-H240 IonicContact OD1-NE2 2.69Å; D236-H240 IonicContact OD2-CE1 2.74Å
237G70.7Confident85.3Confident42 Ų4250.5 Ų50.543%0.43327%0.272SS..SBendtrans81.7-2.6-176.800000115K233 G234 V235K233-G237 WeakPolarHBondContact CE-O 3.49Å; G234-G237 WeakPolarHBondContact O-CA 3.46Å; G234-G237 PolarHBondContact O-N 2.84Å; V235-G237 VanDerWaalsContact C-N 3.26Å
238N77Confident85.4Confident99 Ų9949.6 Ų49.653%0.52927%0.266SS..  trans-81.3165.8176.5-67.8-50000111.3K233 G234 D236K233-N238 CarbonylContact C-O 3.55Å; K233-N238 WeakPolarHBondContact CA-O 3.49Å; G234-N238 PolarHBondContact N-O 3.42Å; D236-N238 VanDerWaalsContact C-N 3.29Å; D236-N238 VanDerWaalsContact CG-ND2 3.35Å; D236-N238 PolarHBondContact O-N 2.93Å; D236-N238 WeakPolarHBondContact OD1-CB 3.46Å; D236-N238 PolarHBondContact OD1-N 2.88Å; D236-N238 WeakPolarHBondContact OD2-CB 3.1Å; D236-N238 PolarHBondContact OD2-ND2 3.34Å
239Q77.6Confident85.4Confident125 Ų12549.5 Ų49.558%0.58427%0.266SS*.EExtended strand (participates in β ladder)trans-103.5103.7179.8-172.5168.218.900109.5S231S231-Q239 WeakPolarHBondContact OG-CG 3.43Å; S231-Q239 PolarHBondContact OG-NE2 3.34Å
240H82.9Confident85.6Confident19 Ų1947.5 Ų47.59%0.08826%0.257CS..EExtended strand (participates in β ladder)trans-82.9146.6176.8-57.4-54.2000110S231 E232 G234 D236 D357S231-H240 WeakPolarHBondContact CA-O 3.48Å; S231-H240 PolarHBondContact OG-O 3.43Å; E232-H240 PolarHBondContact N-O 3.18Å; E232-H240 PolarHBondContact O-N 3.14Å; G234-H240 VanDerWaalsContact CA-CD2 3.5Å; G234-H240 WeakPolarHBondContact CA-CD2 3.25Å; D236-H240 IonicContact OD1-CE1 2.74Å; D236-H240 IonicContact OD1-NE2 2.69Å; D236-H240 IonicContact OD2-CE1 2.74Å; H240-D357 WeakPolarHBondContact CA-OD2 3.17Å; H240-D357 WeakPolarHBondContact CB-OD2 3.26Å; H240-D357 IonicContact CE1-OD1 3.9Å; H240-D357 PolarHBondContact CE1-OD1 2.89Å; H240-D357 IonicContact CG-OD2 3.71Å; H240-D357 IonicContact ND1-OD1 3.26Å; H240-D357 PolarHBondContact ND1-OD1 3.14Å; H240-D357 IonicContact ND1-OD2 3.54Å; H240-D357 PolarHBondContact ND1-OD2 3.35Å; H240-D357 VanDerWaalsContact ND1-OD2 3.14Å
241V85.8Confident85.7Confident72 Ų7247.3 Ų47.344%0.43626%0.256SS..EExtended strand (participates in β ladder)trans-128.8124.6178.9-176.90000110.2C230C230-V241 WeakPolarHBondContact O-CA 3.36Å
242R90.3Very high85.8Confident35 Ų3546.5 Ų46.513%0.13225%0.25CC..EExtended strand (participates in β ladder)trans-115.6144.2175.7-57.6-171-67.1-87.43.2109.6E90 E229 C230 E232 I351 N352 E353E90-R242 WeakPolarHBondContact O-CD 3.38Å; E90-R242 PolarHBondContact O-NE 2.88Å; E229-R242 WeakPolarHBondContact CA-O 3.37Å; C230-R242 PolarHBondContact N-O 3.42Å; C230-R242 PolarHBondContact O-N 2.98Å; E232-R242 IonicContact OE2-CZ 3.59Å; E232-R242 IonicContact OE2-NH1 3.65Å; E232-R242 PolarHBondContact OE2-NH1 2.88Å; E232-R242 IonicContact OE2-NH2 2.73Å; E232-R242 PolarHBondContact OE2-NH2 2.63Å; R242-I351 HydrophobicContact CG-CG2 4.37Å; R242-N352 CarbonylContact C-O 3.53Å; R242-N352 WeakPolarHBondContact CA-O 3.09Å; R242-E353 HydrophobicContact CG-CB 4.15Å
243M90.6Very high85.9Confident67 Ų6743.1 Ų43.133%0.3324%0.235SC..EExtended strand (participates in β ladder)trans-128.3109.2179.2-176.4-175.560.700111.6T227 I228 E229 N352T227-M243 HydrophobicContact CG2-CG 3.89Å; T227-M243 HydrophobicContact CG2-SD 3.93Å; I228-M243 CarbonylContact O-C 3.55Å; I228-M243 WeakPolarHBondContact O-CA 3.43Å; E229-M243 HydrophobicContact CG-CB 4.37Å; E229-M243 HydrophobicContact CG-CG 4.04Å; M243-N352 PolarHBondContact N-O 2.91Å; M243-N352 WeakPolarHBondContact O-CB 3.44Å; M243-N352 PolarHBondContact O-ND2 3.07Å
244G93.9Very high86.2Confident1 Ų138 Ų381%0.0122%0.215CC..EExtended strand (participates in β ladder)trans-88.1144.2168.200000112V88 Y92 T227 I228V88-G244 WeakPolarHBondContact O-CA 3.48Å; Y92-G244 VanDerWaalsContact O-CA 3.3Å; Y92-G244 WeakPolarHBondContact O-CA 3.4Å; T227-G244 WeakPolarHBondContact CA-O 3.5Å; I228-G244 PolarHBondContact N-O 2.89Å; I228-G244 PolarHBondContact O-N 3.39Å
245K94.6Very high86.5Confident42 Ų4238.9 Ų38.918%0.18321%0.214CC..EExtended strand (participates in β ladder)trans-131115.2171.3-167.9-168.1-61.6169.40110.2Y92 N93 G94 T225 I226 H247Y92-K245 PolarHBondContact O-N 2.92Å; N93-K245 CarbonylContact C-O 3.58Å; N93-K245 WeakPolarHBondContact CA-O 3.27Å; N93-K245 WeakPolarHBondContact OD1-CB 3.46Å; G94-K245 PolarHBondContact N-O 2.84Å; T225-K245 HydrophobicContact CG2-CD 4.1Å; T225-K245 HydrophobicContact CG2-CG 3.76Å; I226-K245 CarbonylContact O-C 3.59Å; I226-K245 WeakPolarHBondContact O-CA 3.35Å; K245-H247 VanDerWaalsContact CD-NE2 3.29Å; K245-H247 WeakPolarHBondContact CD-NE2 3.38Å
246L97.3Very high86.3Confident0 Ų035.4 Ų35.40%019%0.186CC..EExtended strand (participates in β ladder)trans-101119.8175.4-179.160.9000110.5I84 I85 V88 G94 I96 I130 T225 I226 L248I84-L246 HydrophobicContact CG2-CD1 4.16Å; I85-L246 HydrophobicContact CD1-CD2 4.2Å; I85-L246 HydrophobicContact CG1-CD2 3.9Å; V88-L246 HydrophobicContact CB-CB 4.5Å; V88-L246 HydrophobicContact CG1-CB 4.05Å; V88-L246 HydrophobicContact CG2-CB 4.05Å; V88-L246 HydrophobicContact CG2-CD1 4.24Å; G94-L246 WeakPolarHBondContact O-CA 3.33Å; I96-L246 HydrophobicContact CD1-CD1 4.5Å; I130-L246 HydrophobicContact CD1-CD2 4.4Å; T225-L246 CarbonylContact C-O 3.59Å; T225-L246 WeakPolarHBondContact CA-O 3.44Å; I226-L246 HydrophobicContact CB-CB 4.36Å; I226-L246 HydrophobicContact CD1-CD2 4.3Å; I226-L246 PolarHBondContact N-O 3.14Å; I226-L246 PolarHBondContact O-N 2.86Å; L246-L248 HydrophobicContact CD1-CD2 3.92Å; L246-L248 HydrophobicContact CD2-CD1 4.15Å; L246-L248 HydrophobicContact CD2-CD2 3.93Å; L246-L248 HydrophobicContact CD2-CG 4.11Å; L246-L248 HydrophobicContact CG-CD1 4.5Å; L246-L248 HydrophobicContact CG-CD2 3.82Å; L246-L248 HydrophobicContact CG-CG 3.95Å
247H97.3Very high85.9Confident33 Ų3334.1 Ų34.115%0.15318%0.177CC..EExtended strand (participates in β ladder)trans-98.9122168.1-67.5-61.2000110.4G94 T95 I96 T225 K245 V249G94-H247 PolarHBondContact O-N 3.26Å; T95-H247 WeakPolarHBondContact CA-O 3.3Å; T95-H247 HydrophobicContact CG2-CB 4.04Å; I96-H247 PolarHBondContact N-O 2.97Å; T225-H247 VanDerWaalsContact CG2-CE1 3.48Å; T225-H247 WeakPolarHBondContact CG2-CE1 3.48Å; T225-H247 WeakPolarHBondContact CG2-ND1 3.49Å; T225-H247 PolarHBondContact OG1-CE1 2.64Å; T225-H247 PolarHBondContact OG1-ND1 3.06Å; K245-H247 VanDerWaalsContact CD-NE2 3.29Å; K245-H247 WeakPolarHBondContact CD-NE2 3.38Å; H247-V249 HydrophobicContact CB-CG2 4.33Å
248L97.1Very high85.2Confident2 Ų236 Ų361%0.0120%0.197CC..EExtended strand (participates in β ladder)trans-111.7110.7174.6-58.1176000108.2I96 M110 I122 I123 F224 I226 L246I96-L248 HydrophobicContact CB-CD2 3.94Å; I96-L248 HydrophobicContact CD1-CD2 4.02Å; I96-L248 HydrophobicContact CG1-CD2 4.3Å; M110-L248 HydrophobicContact CE-CB 3.91Å; I122-L248 HydrophobicContact CG2-CD2 4.3Å; I123-L248 HydrophobicContact CB-CD1 4.22Å; I123-L248 HydrophobicContact CD1-CB 4.44Å; I123-L248 HydrophobicContact CG1-CB 3.98Å; I123-L248 HydrophobicContact CG1-CD1 3.81Å; I123-L248 HydrophobicContact CG1-CG 4.43Å; I123-L248 HydrophobicContact CG2-CD1 4.14Å; F224-L248 HydrophobicContact CB-CB 4.38Å; F224-L248 PolarHBondContact N-O 3.37Å; F224-L248 PolarHBondContact O-N 3.34Å; I226-L248 HydrophobicContact CD1-CD1 4.33Å; L246-L248 HydrophobicContact CD1-CD2 3.92Å; L246-L248 HydrophobicContact CD2-CD1 4.15Å; L246-L248 HydrophobicContact CD2-CD2 3.93Å; L246-L248 HydrophobicContact CD2-CG 4.11Å; L246-L248 HydrophobicContact CG-CD1 4.5Å; L246-L248 HydrophobicContact CG-CD2 3.82Å; L246-L248 HydrophobicContact CG-CG 3.95Å
249V96.3Very high84.3Confident0 Ų035.8 Ų35.80%019%0.191CC..EExtended strand (participates in β ladder)trans-118.5122.8-166.5-1750000111.6I96 F97 A98 A222 I223 H247 L251 L306I96-V249 PolarHBondContact O-N 3.35Å; F97-V249 WeakPolarHBondContact CA-O 3.46Å; F97-V249 HydrophobicContact CB-CB 3.66Å; F97-V249 HydrophobicContact CB-CG1 4.16Å; F97-V249 HydrophobicContact CB-CG2 4.29Å; A98-V249 PolarHBondContact N-O 3.04Å; A222-V249 WeakPolarHBondContact O-CA 3.42Å; I223-V249 HydrophobicContact CG1-CG1 4.08Å; I223-V249 HydrophobicContact CG1-CG2 4.12Å; I223-V249 HydrophobicContact CG2-CG2 4.17Å; H247-V249 HydrophobicContact CB-CG2 4.33Å; V249-L251 HydrophobicContact CG1-CD2 3.47Å; V249-L251 VanDerWaalsContact CG1-CD2 3.47Å; V249-L251 HydrophobicContact CG1-CG 3.93Å; V249-L306 HydrophobicContact CG2-CD2 4.17Å
250D94.4Very high83.4Confident11 Ų1133 Ų336%0.05918%0.183CC..EExtended strand (participates in β ladder)trans-105.2105.3167.4-171.226.8000108.1K106 T107 M110 H221 A222K106-D250 VanDerWaalsContact CB-OD1 3.22Å; K106-D250 WeakPolarHBondContact CB-OD1 3.33Å; T107-D250 WeakPolarHBondContact CB-OD2 3.45Å; T107-D250 PolarHBondContact N-OD1 2.72Å; T107-D250 PolarHBondContact OG1-OD2 3.36Å; M110-D250 HydrophobicContact CG-CB 4.28Å; H221-D250 WeakPolarHBondContact CA-O 3.41Å; A222-D250 PolarHBondContact N-O 2.98Å; A222-D250 PolarHBondContact O-N 3.13Å
251L92.4Very high82.2Confident0 Ų035.2 Ų35.20%021%0.21CC..PPolyproline II helixtrans-78.9160.1-177.5-61.9175.4000111.6F97 A98 Y99 K106 H221 V249 L277 L280 L302F97-L251 HydrophobicContact CD2-CD1 3.81Å; F97-L251 HydrophobicContact CE2-CD1 4.46Å; A98-L251 VanDerWaalsContact O-CB 3.31Å; A98-L251 WeakPolarHBondContact O-CB 3.38Å; A98-L251 WeakPolarHBondContact O-CG 3.34Å; A98-L251 PolarHBondContact O-N 2.89Å; Y99-L251 HydrophobicContact CD2-CD1 3.85Å; K106-L251 WeakPolarHBondContact CE-O 3.15Å; H221-L251 HydrophobicContact CB-CD2 4.26Å; H221-L251 WeakPolarHBondContact ND1-CA 3.49Å; H221-L251 VanDerWaalsContact ND1-CD2 3.34Å; H221-L251 WeakPolarHBondContact ND1-CD2 3.38Å; V249-L251 HydrophobicContact CG1-CD2 3.47Å; V249-L251 VanDerWaalsContact CG1-CD2 3.47Å; V249-L251 HydrophobicContact CG1-CG 3.93Å; L251-L277 HydrophobicContact CB-CD2 4.45Å; L251-L277 HydrophobicContact CD1-CD2 4.31Å; L251-L280 HydrophobicContact CD1-CD2 4.08Å; L251-L302 HydrophobicContact CD2-CD1 3.94Å; L251-L302 HydrophobicContact CD2-CD2 3.93Å
252A89.1Confident80.9Confident0 Ų032.9 Ų32.90%020%0.199CC..PPolyproline II helixtrans-61167.616800000112.3K106 S218 H221 I273 L277K106-A252 WeakPolarHBondContact CE-O 3.5Å; S218-A252 WeakPolarHBondContact O-CB 3.28Å; H221-A252 VanDerWaalsContact CE1-CB 3.45Å; H221-A252 WeakPolarHBondContact CE1-CB 3.33Å; H221-A252 PolarHBondContact CE1-N 3.04Å; H221-A252 PolarHBondContact ND1-N 3.31Å; A252-I273 HydrophobicContact CB-CG2 3.83Å; A252-L277 HydrophobicContact CB-CD1 4.44Å
253G87Confident79.4Confident2 Ų236.6 Ų36.62%0.02123%0.225CC..PPolyproline II helixtrans-59.2132.6173.600000113T102 S218 E255 L277T102-G253 WeakPolarHBondContact OG1-CA 3.26Å; S218-G253 PolarHBondContact O-N 2.99Å; G253-E255 VanDerWaalsContact C-OE2 3.25Å; G253-E255 WeakPolarHBondContact CA-OE2 3.44Å; G253-E255 PolarHBondContact O-N 3.35Å; G253-L277 VanDerWaalsContact O-CD1 3.23Å; G253-L277 WeakPolarHBondContact O-CD1 3.47Å
254S85.3Confident78.4Confident18 Ų1836.1 Ų36.113%0.12624%0.238CC..  trans-80.41.5177.269.70000114.3G100 Q101G100-S254 WeakPolarHBondContact CA-OG 3.3Å; G100-S254 PolarHBondContact O-N 3.29Å; G100-S254 PolarHBondContact O-OG 2.9Å; Q101-S254 PolarHBondContact N-OG 3.2Å; Q101-S254 VanDerWaalsContact N-OG 3.1Å
255E77Confident77Confident34 Ų3444.2 Ų44.216%0.15928%0.275CS..  trans-62.2144.7-175.453.7-86.7-163.400114.7Q101 T102 G253 N274 E331Q101-E255 WeakPolarHBondContact CA-OE2 3.27Å; Q101-E255 HydrophobicContact CG-CB 4.3Å; T102-E255 WeakPolarHBondContact CB-OE1 3.32Å; T102-E255 PolarHBondContact N-OE2 3.02Å; T102-E255 PolarHBondContact OG1-OE1 3.32Å; T102-E255 PolarHBondContact OG1-OE2 3.36Å; G253-E255 VanDerWaalsContact C-OE2 3.25Å; G253-E255 WeakPolarHBondContact CA-OE2 3.44Å; G253-E255 PolarHBondContact O-N 3.35Å; E255-N274 PolarHBondContact O-ND2 3.33Å; E255-E331 WeakPolarHBondContact CA-OE2 2.82Å
256R66.1Low75.5Confident68 Ų6847 Ų4726%0.25729%0.285SS..  trans-74132.8175.2-62177.9178.9-102.7-4.3110.7G258 K259 E566 E570R256-G258 PolarHBondContact O-N 3.47Å; R256-K259 PolarHBondContact O-N 3.5Å; R256-K259 VanDerWaalsContact O-N 3.11Å; R256-E566 IonicContact CZ-OE1 3.52Å; R256-E566 VanDerWaalsContact NH2-CG 3.33Å; R256-E566 IonicContact NH2-OE1 3.67Å; R256-E566 PolarHBondContact NH2-OE1 2.94Å; R256-E570 IonicContact CZ-OE1 2.79Å; R256-E570 IonicContact NH1-OE1 3.73Å; R256-E570 IonicContact NH2-OE1 2.89Å; R256-E570 PolarHBondContact NH2-OE1 2.93Å
257Q60.4Low74Confident46 Ų4649.5 Ų49.522%0.21530%0.298CS..G310 helixtrans-51.7-34.2-172.6-65.2170.25.500114.8K259 T260 A270 T271Q257-K259 PolarHBondContact O-N 3.22Å; Q257-K259 VanDerWaalsContact O-N 3.1Å; Q257-T260 WeakPolarHBondContact O-CB 3.15Å; Q257-T260 PolarHBondContact O-N 2.91Å; Q257-T260 PolarHBondContact O-OG1 2.83Å; Q257-A270 HydrophobicContact CG-CB 4.17Å; Q257-A270 PolarHBondContact NE2-O 2.89Å; Q257-T271 VanDerWaalsContact NE2-CA 3.29Å
258G57.3Low72.5Confident81 Ų8152.3 Ų52.384%0.83531%0.31SS*.G310 helixtrans-56.8-25.5-179.100000114.4R256R256-G258 PolarHBondContact O-N 3.47Å
259K57.6Low71.1Confident95 Ų9553.1 Ų53.141%0.41331%0.313SS..G310 helixtrans-80.5-14.4175-73-178.8176.3168.90114.2R256 Q257 E331R256-K259 PolarHBondContact O-N 3.5Å; R256-K259 VanDerWaalsContact O-N 3.11Å; Q257-K259 PolarHBondContact O-N 3.22Å; Q257-K259 VanDerWaalsContact O-N 3.1Å; K259-E331 WeakPolarHBondContact CD-OE1 3.24Å; K259-E331 WeakPolarHBondContact CE-OE1 3.42Å; K259-E331 IonicContact NZ-OE1 3.94Å; K259-E331 PolarHBondContact NZ-OE1 2.8Å
260T58.3Low69.5Low68 Ų6853.7 Ų53.742%0.41732%0.318SS..THydrogen-bonded Turntrans-85.8-18.4-172.669.70000114.3Q257 A262Q257-T260 WeakPolarHBondContact O-CB 3.15Å; Q257-T260 PolarHBondContact O-N 2.91Å; Q257-T260 PolarHBondContact O-OG1 2.83Å; T260-A262 PolarHBondContact O-N 2.79Å; T260-A262 VanDerWaalsContact O-N 3.12Å; T260-A262 WeakPolarHBondContact OG1-CB 3.16Å; T260-A262 PolarHBondContact OG1-N 2.88Å
261G58.5Low68.2Low64 Ų6454.8 Ų54.866%0.6633%0.325SS*.  trans60.616-175.500000114.8
262A58.2Low67.1Low23 Ų2358.6 Ų58.619%0.1934%0.342CS..  trans-70.5135.6-172.800000112.8T260 R266T260-A262 PolarHBondContact O-N 2.79Å; T260-A262 VanDerWaalsContact O-N 3.12Å; T260-A262 WeakPolarHBondContact OG1-CB 3.16Å; T260-A262 PolarHBondContact OG1-N 2.88Å; A262-R266 HydrophobicContact CB-CB 4.1Å
263T58.8Low66.1Low113 Ų11359.2 Ų59.269%0.69335%0.345SS*.  trans-126.1158.7178.857.60000112Q265 R266T263-Q265 PolarHBondContact O-N 2.86Å; T263-R266 PolarHBondContact O-N 2.89Å
264G70.8Confident65.2Low57 Ų5760.6 Ų60.659%0.58835%0.352SS*.THydrogen-bonded Turntrans61-128174.800000113.6R266 L267 K268G264-R266 VanDerWaalsContact C-N 3.31Å; G264-R266 PolarHBondContact O-N 3.48Å; G264-L267 WeakPolarHBondContact O-CB 3.24Å; G264-L267 PolarHBondContact O-N 2.82Å; G264-L267 VanDerWaalsContact O-N 3.11Å; G264-K268 PolarHBondContact O-N 3.05Å
265Q62.7Low65Low172 Ų17263.5 Ų63.580%0.80437%0.365SS*.Hα-helixtrans-64.6-33.8-176.6-163.2171.17.300112.8T263 L267 K268 E269T263-Q265 PolarHBondContact O-N 2.86Å; Q265-L267 VanDerWaalsContact C-N 3.26Å; Q265-L267 PolarHBondContact O-N 2.9Å; Q265-K268 PolarHBondContact O-N 3.13Å; Q265-E269 PolarHBondContact O-N 3.14Å
266R64.1Low65.3Low100 Ų10062 Ų6238%0.37736%0.359SS..Hα-helixtrans-65.6-27.2173.9-73.9176.8167.9159.5-5.2113M213 N214 A262 T263 G264 E269 A270M213-R266 PolarHBondContact O-NH2 2.67Å; N214-R266 PolarHBondContact OD1-NE 2.98Å; N214-R266 VanDerWaalsContact OD1-NE 3.14Å; N214-R266 PolarHBondContact OD1-NH2 2.83Å; A262-R266 HydrophobicContact CB-CB 4.1Å; T263-R266 PolarHBondContact O-N 2.89Å; G264-R266 VanDerWaalsContact C-N 3.31Å; G264-R266 PolarHBondContact O-N 3.48Å; R266-E269 WeakPolarHBondContact O-CB 3.43Å; R266-A270 WeakPolarHBondContact O-CB 3.46Å; R266-A270 PolarHBondContact O-N 2.75Å
267L65.3Low66.2Low53 Ų5359.2 Ų59.228%0.27735%0.349SS..Hα-helixtrans-70.3-46.2174.2-176.863.3000110.4G264 Q265 E269 A270 T271G264-L267 WeakPolarHBondContact O-CB 3.24Å; G264-L267 PolarHBondContact O-N 2.82Å; G264-L267 VanDerWaalsContact O-N 3.11Å; Q265-L267 VanDerWaalsContact C-N 3.26Å; Q265-L267 PolarHBondContact O-N 2.9Å; L267-E269 VanDerWaalsContact C-N 3.28Å; L267-E269 PolarHBondContact O-N 2.88Å; L267-A270 PolarHBondContact O-N 2.97Å; L267-A270 VanDerWaalsContact O-N 3.15Å; L267-T271 PolarHBondContact O-N 2.85Å; L267-T271 PolarHBondContact O-OG1 3.38Å
268K66.5Low67.2Low92 Ų9260.2 Ų60.240%0.436%0.361SS..Hα-helixtrans-59.7-39175.2-65.6-166.4177.2-1680112.6G264 Q265 T271 K272 E584G264-K268 PolarHBondContact O-N 3.05Å; Q265-K268 PolarHBondContact O-N 3.13Å; K268-T271 PolarHBondContact O-N 2.91Å; K268-K272 PolarHBondContact O-N 2.8Å; K268-E584 WeakPolarHBondContact CE-OE2 3.37Å; K268-E584 IonicContact NZ-OE1 3.69Å; K268-E584 PolarHBondContact NZ-OE1 3.34Å; K268-E584 IonicContact NZ-OE2 2.57Å; K268-E584 PolarHBondContact NZ-OE2 3.34Å
269E66.7Low68.6Low18 Ų1856.6 Ų56.68%0.08432%0.323CS..Hα-helixtrans-58.2-53.9171.9-172.6-167.3136.100110.5Y153 N214 R219 Q265 R266 L267 T271 K272 I273Y153-E269 HydrophobicContact CE2-CG 4.11Å; Y153-E269 WeakPolarHBondContact OH-CG 3.27Å; Y153-E269 PolarHBondContact OH-OE1 2.65Å; N214-E269 PolarHBondContact ND2-OE1 2.87Å; N214-E269 PolarHBondContact ND2-OE2 3.23Å; R219-E269 WeakPolarHBondContact CD-OE1 3.36Å; R219-E269 IonicContact CZ-OE1 3.35Å; R219-E269 IonicContact NE-OE1 3.54Å; R219-E269 IonicContact NH1-OE1 2.84Å; R219-E269 PolarHBondContact NH1-OE1 3.43Å; R219-E269 IonicContact NH1-OE2 3.79Å; Q265-E269 PolarHBondContact O-N 3.14Å; R266-E269 WeakPolarHBondContact O-CB 3.43Å; L267-E269 VanDerWaalsContact C-N 3.28Å; L267-E269 PolarHBondContact O-N 2.88Å; E269-T271 VanDerWaalsContact C-N 3.31Å; E269-T271 PolarHBondContact O-N 3.49Å; E269-K272 PolarHBondContact O-N 2.67Å; E269-K272 VanDerWaalsContact O-N 3.09Å; E269-I273 HydrophobicContact CG-CD1 4Å; E269-I273 VanDerWaalsContact O-CG1 3.31Å; E269-I273 WeakPolarHBondContact O-CG1 3.32Å; E269-I273 PolarHBondContact O-N 3.14Å
270A64.1Low70.2Confident13 Ų1352.1 Ų52.111%0.10730%0.303CS..Hα-helixtrans-61.5-32.4177.900000113.9Q257 R266 L267 N274Q257-A270 HydrophobicContact CG-CB 4.17Å; Q257-A270 PolarHBondContact NE2-O 2.89Å; R266-A270 WeakPolarHBondContact O-CB 3.46Å; R266-A270 PolarHBondContact O-N 2.75Å; L267-A270 PolarHBondContact O-N 2.97Å; L267-A270 VanDerWaalsContact O-N 3.15Å; A270-N274 PolarHBondContact O-N 3.5Å; A270-N274 VanDerWaalsContact O-N 3.1Å
271T67.1Low71.6Confident34 Ų3449.2 Ų49.221%0.20929%0.287CS..Hα-helixtrans-59.6-46.4171.1-53.50000111.8Q257 L267 K268 E269 L275 N577Q257-T271 VanDerWaalsContact NE2-CA 3.29Å; L267-T271 PolarHBondContact O-N 2.85Å; L267-T271 PolarHBondContact O-OG1 3.38Å; K268-T271 PolarHBondContact O-N 2.91Å; E269-T271 VanDerWaalsContact C-N 3.31Å; E269-T271 PolarHBondContact O-N 3.49Å; T271-L275 PolarHBondContact O-N 3.43Å; T271-N577 WeakPolarHBondContact CG2-OD1 3.38Å
272K68.4Low72.9Confident80 Ų8050.5 Ų50.535%0.34828%0.279SS..Hα-helixtrans-74.8-32.7-179.5-76.5176.1150.5-147.20113.6N154 K268 E269 L275N154-K272 PolarHBondContact ND2-NZ 2.63Å; N154-K272 PolarHBondContact O-NZ 3.03Å; N154-K272 WeakPolarHBondContact OD1-CD 3.46Å; K268-K272 PolarHBondContact O-N 2.8Å; E269-K272 PolarHBondContact O-N 2.67Å; E269-K272 VanDerWaalsContact O-N 3.09Å; K272-L275 WeakPolarHBondContact O-CB 3.38Å; K272-L275 PolarHBondContact O-N 2.88Å
273I67.4Low74.4Confident12 Ų1249.4 Ų49.46%0.06227%0.27CS..Hα-helixtrans-62.1-50.9173.5-63.7162.5000109.2R219 A252 E269 L275 S276R219-I273 HydrophobicContact CB-CD1 3.52Å; R219-I273 HydrophobicContact CG-CD1 3.77Å; R219-I273 WeakPolarHBondContact O-CD1 3.44Å; R219-I273 VanDerWaalsContact O-CG1 3.32Å; R219-I273 WeakPolarHBondContact O-CG1 3.38Å; A252-I273 HydrophobicContact CB-CG2 3.83Å; E269-I273 HydrophobicContact CG-CD1 4Å; E269-I273 VanDerWaalsContact O-CG1 3.31Å; E269-I273 WeakPolarHBondContact O-CG1 3.32Å; E269-I273 PolarHBondContact O-N 3.14Å; I273-L275 VanDerWaalsContact C-N 3.27Å; I273-L275 PolarHBondContact O-N 3.19Å; I273-S276 PolarHBondContact O-N 3.18Å; I273-S276 PolarHBondContact O-OG 3.39Å
274N69.1Low75.9Confident31 Ų3144.1 Ų44.117%0.16624%0.237CC..Hα-helixtrans-73-17.4-179.4-70.925.4000113.2E255 A270 S278E255-N274 PolarHBondContact O-ND2 3.33Å; A270-N274 PolarHBondContact O-N 3.5Å; A270-N274 VanDerWaalsContact O-N 3.1Å; N274-S278 WeakPolarHBondContact O-CB 3.45Å; N274-S278 PolarHBondContact O-N 3.42Å; N274-S278 PolarHBondContact O-OG 3.47Å
275L80.1Confident76.7Confident79 Ų7942.4 Ų42.441%0.41422%0.216SC..Hα-helixtrans-58.7-46.9170.1176.961.9000111.2E155 T271 K272 I273 T279E155-L275 HydrophobicContact CG-CD2 4.21Å; T271-L275 PolarHBondContact O-N 3.43Å; K272-L275 WeakPolarHBondContact O-CB 3.38Å; K272-L275 PolarHBondContact O-N 2.88Å; I273-L275 VanDerWaalsContact C-N 3.27Å; I273-L275 PolarHBondContact O-N 3.19Å; L275-T279 VanDerWaalsContact O-CB 3.25Å; L275-T279 WeakPolarHBondContact O-CB 3.43Å; L275-T279 PolarHBondContact O-N 3.45Å; L275-T279 PolarHBondContact O-OG1 2.93Å
276S83.5Confident77.9Confident2 Ų234.7 Ų34.71%0.01418%0.182CC..Hα-helixtrans-62.6-46.9-18065.70000112.9E155 H221 I273 T279 L280 S300E155-S276 WeakPolarHBondContact OE1-CB 3.41Å; H221-S276 PolarHBondContact NE2-OG 3.08Å; I273-S276 PolarHBondContact O-N 3.18Å; I273-S276 PolarHBondContact O-OG 3.39Å; S276-T279 PolarHBondContact O-N 2.93Å; S276-L280 WeakPolarHBondContact O-CB 3.47Å; S276-L280 PolarHBondContact O-N 2.81Å; S276-S300 WeakPolarHBondContact CA-OG 3.43Å; S276-S300 WeakPolarHBondContact CB-OG 3.41Å
277L84.8Confident79.1Confident11 Ų1132 Ų326%0.05818%0.175CC..Hα-helixtrans-73.1-35.5-179.9-67.1-179.6000113.1Y99 L251 A252 G253 L280 G281 L302Y99-L277 HydrophobicContact CD2-CD2 4.43Å; Y99-L277 HydrophobicContact CE2-CD2 4.18Å; L251-L277 HydrophobicContact CB-CD2 4.45Å; L251-L277 HydrophobicContact CD1-CD2 4.31Å; A252-L277 HydrophobicContact CB-CD1 4.44Å; G253-L277 VanDerWaalsContact O-CD1 3.23Å; G253-L277 WeakPolarHBondContact O-CD1 3.47Å; L277-L280 HydrophobicContact CD2-CD2 4.33Å; L277-L280 WeakPolarHBondContact O-CB 3.32Å; L277-L280 PolarHBondContact O-N 3.37Å; L277-G281 PolarHBondContact O-N 3.16Å; L277-L302 HydrophobicContact CD2-CD2 4.47Å
278S82.8Confident80.1Confident67 Ų6731.7 Ų31.747%0.46918%0.175SC..Hα-helixtrans-64.7-42171.6-58.50000110.9N274 G281 N282N274-S278 WeakPolarHBondContact O-CB 3.45Å; N274-S278 PolarHBondContact O-N 3.42Å; N274-S278 PolarHBondContact O-OG 3.47Å; S278-G281 PolarHBondContact O-N 2.78Å; S278-G281 VanDerWaalsContact O-N 3.15Å; S278-N282 VanDerWaalsContact O-CG 3.3Å; S278-N282 PolarHBondContact O-N 3.09Å
279T86.2Confident80.8Confident4 Ų431.9 Ų31.93%0.02518%0.18CC..Hα-helixtrans-63.7-42.4176.1-58.90000111.2L275 S276 G281 N282 V283 N299 T303L275-T279 VanDerWaalsContact O-CB 3.25Å; L275-T279 WeakPolarHBondContact O-CB 3.43Å; L275-T279 PolarHBondContact O-N 3.45Å; L275-T279 PolarHBondContact O-OG1 2.93Å; S276-T279 PolarHBondContact O-N 2.93Å; T279-G281 VanDerWaalsContact C-N 3.29Å; T279-G281 PolarHBondContact O-N 2.83Å; T279-N282 WeakPolarHBondContact O-CB 3.23Å; T279-N282 PolarHBondContact O-N 2.84Å; T279-N282 VanDerWaalsContact O-N 3.14Å; T279-V283 WeakPolarHBondContact O-CG2 3.28Å; T279-V283 PolarHBondContact O-N 3.2Å; T279-N299 HydrophobicContact CG2-CB 3.53Å; T279-T303 HydrophobicContact CG2-CG2 3.94Å; T279-T303 WeakPolarHBondContact CG2-OG1 3.4Å
280L90Very high81Confident1 Ų134.3 Ų34.31%0.00521%0.21CC..Hα-helixtrans-56.2-44.3172-164.872.3000110.7L251 S276 L277 N282 V283 I284 L302 T303 L310 Y338L251-L280 HydrophobicContact CD1-CD2 4.08Å; S276-L280 WeakPolarHBondContact O-CB 3.47Å; S276-L280 PolarHBondContact O-N 2.81Å; L277-L280 HydrophobicContact CD2-CD2 4.33Å; L277-L280 WeakPolarHBondContact O-CB 3.32Å; L277-L280 PolarHBondContact O-N 3.37Å; L280-N282 PolarHBondContact O-N 2.88Å; L280-V283 PolarHBondContact O-N 3.09Å; L280-I284 VanDerWaalsContact O-CG1 3.32Å; L280-I284 WeakPolarHBondContact O-CG1 3.36Å; L280-I284 PolarHBondContact O-N 3.03Å; L280-L302 HydrophobicContact CD2-CD2 4.39Å; L280-T303 HydrophobicContact CB-CG2 4.01Å; L280-T303 HydrophobicContact CD1-CG2 3.7Å; L280-T303 HydrophobicContact CG-CG2 4.49Å; L280-L310 HydrophobicContact CD1-CD1 3.49Å; L280-L310 VanDerWaalsContact CD1-CD1 3.49Å; L280-Y338 VanDerWaalsContact CB-OH 3.25Å; L280-Y338 WeakPolarHBondContact CB-OH 3.36Å; L280-Y338 VanDerWaalsContact CD2-OH 3.32Å; L280-Y338 WeakPolarHBondContact CD2-OH 3.47Å; L280-Y338 WeakPolarHBondContact CG-OH 3.32Å
281G87.6Confident81.7Confident7 Ų742.5 Ų42.57%0.07224%0.243CC..Hα-helixtrans-63.2-37175.300000114.3L277 S278 T279 S285 Y338L277-G281 PolarHBondContact O-N 3.16Å; S278-G281 PolarHBondContact O-N 2.78Å; S278-G281 VanDerWaalsContact O-N 3.15Å; T279-G281 VanDerWaalsContact C-N 3.29Å; T279-G281 PolarHBondContact O-N 2.83Å; G281-S285 WeakPolarHBondContact O-CB 3.41Å; G281-S285 PolarHBondContact O-N 2.84Å; G281-S285 PolarHBondContact O-OG 3.35Å; G281-Y338 VanDerWaalsContact CA-CE2 3.44Å; G281-Y338 PolarHBondContact N-OH 2.88Å
282N86.4Confident82Confident92 Ų9243.5 Ų43.549%0.49225%0.252SS..Hα-helixtrans-68.8-40.2175.4-66.9-19.5000111.9S278 T279 L280 S285 A286 P296S278-N282 VanDerWaalsContact O-CG 3.3Å; S278-N282 PolarHBondContact O-N 3.09Å; T279-N282 WeakPolarHBondContact O-CB 3.23Å; T279-N282 PolarHBondContact O-N 2.84Å; T279-N282 VanDerWaalsContact O-N 3.14Å; L280-N282 PolarHBondContact O-N 2.88Å; N282-S285 PolarHBondContact O-N 3.31Å; N282-A286 WeakPolarHBondContact O-CB 3.41Å; N282-A286 PolarHBondContact O-N 3.27Å; N282-P296 HydrophobicContact CB-CG 4.23Å
283V90.8Very high82.4Confident0 Ų047.1 Ų47.10%028%0.281CS..Hα-helixtrans-59.8-49.9173.31630000110.8T279 L280 S285 A286 L287 V295 P296 Y297 T303 L310T279-V283 WeakPolarHBondContact O-CG2 3.28Å; T279-V283 PolarHBondContact O-N 3.2Å; L280-V283 PolarHBondContact O-N 3.09Å; V283-S285 VanDerWaalsContact C-N 3.34Å; V283-S285 PolarHBondContact O-N 3.14Å; V283-A286 PolarHBondContact O-N 2.88Å; V283-L287 HydrophobicContact CG1-CD1 3.9Å; V283-L287 WeakPolarHBondContact O-CB 3.46Å; V283-L287 WeakPolarHBondContact O-CG 3.46Å; V283-L287 PolarHBondContact O-N 3.29Å; V283-V295 HydrophobicContact CB-CG1 4.17Å; V283-V295 HydrophobicContact CG1-CG1 3.82Å; V283-V295 HydrophobicContact CG2-CG1 4.1Å; V283-P296 HydrophobicContact CG2-CG 4.1Å; V283-Y297 HydrophobicContact CG1-CD1 3.81Å; V283-Y297 HydrophobicContact CG1-CE1 3.39Å; V283-Y297 HydrophobicContact CG2-CD1 4.02Å; V283-Y297 HydrophobicContact CG2-CE1 4.4Å; V283-T303 HydrophobicContact CG2-CG2 4Å; V283-L310 HydrophobicContact CG1-CB 4.39Å; V283-L310 HydrophobicContact CG1-CD1 4.19Å
284I90.1Very high83.2Confident1 Ų153 Ų531%0.00531%0.307CS..Hα-helixtrans-59.7-44.3177.7-67.5-177.2000111.3L280 L287 V288 Y338 R341 A342 I345L280-I284 VanDerWaalsContact O-CG1 3.32Å; L280-I284 WeakPolarHBondContact O-CG1 3.36Å; L280-I284 PolarHBondContact O-N 3.03Å; I284-L287 PolarHBondContact O-N 2.76Å; I284-V288 HydrophobicContact CG2-CG2 4.45Å; I284-V288 VanDerWaalsContact O-CG2 3.25Å; I284-V288 WeakPolarHBondContact O-CG2 3.32Å; I284-V288 PolarHBondContact O-N 3.41Å; I284-V288 VanDerWaalsContact O-N 3.09Å; I284-Y338 HydrophobicContact CD1-CD1 4.2Å; I284-Y338 HydrophobicContact CD1-CE1 3.38Å; I284-R341 HydrophobicContact CG2-CB 3.81Å; I284-A342 HydrophobicContact CD1-CB 4.11Å; I284-A342 HydrophobicContact CG2-CB 4.47Å; I284-I345 HydrophobicContact CB-CD1 4.19Å; I284-I345 HydrophobicContact CD1-CD1 4.29Å; I284-I345 HydrophobicContact CG1-CD1 3.73Å; I284-I345 HydrophobicContact CG2-CD1 4Å; I284-I345 HydrophobicContact CG2-CG1 4.44Å
285S86.6Confident84.1Confident21 Ų2152.8 Ų52.815%0.14731%0.308CS..Hα-helixtrans-64.8-45.2179.9-52.30000111.4G281 N282 V283 L287 V288 D289 R341G281-S285 WeakPolarHBondContact O-CB 3.41Å; G281-S285 PolarHBondContact O-N 2.84Å; G281-S285 PolarHBondContact O-OG 3.35Å; N282-S285 PolarHBondContact O-N 3.31Å; V283-S285 VanDerWaalsContact C-N 3.34Å; V283-S285 PolarHBondContact O-N 3.14Å; S285-L287 VanDerWaalsContact C-N 3.31Å; S285-L287 PolarHBondContact O-N 2.84Å; S285-V288 PolarHBondContact O-N 2.9Å; S285-D289 WeakPolarHBondContact O-CB 3.45Å; S285-D289 VanDerWaalsContact O-CG 3.25Å; S285-D289 PolarHBondContact O-N 3.49Å; S285-R341 PolarHBondContact OG-NH1 2.98Å
286A88.1Confident84.5Confident10 Ų1050 Ų508%0.08329%0.294CS..Hα-helixtrans-61.2-36.917700000113.2N282 V283 V295N282-A286 WeakPolarHBondContact O-CB 3.41Å; N282-A286 PolarHBondContact O-N 3.27Å; V283-A286 PolarHBondContact O-N 2.88Å; A286-V295 HydrophobicContact CB-CG1 4.35Å; A286-V295 HydrophobicContact CB-CG2 4.25Å
287L88.7Confident84.8Confident45 Ų4551.5 Ų51.524%0.23630%0.3CS..Hα-helixtrans-68.8-37176.3-77167.6000113.3V283 I284 S285 V295 L310 I345V283-L287 HydrophobicContact CG1-CD1 3.9Å; V283-L287 WeakPolarHBondContact O-CB 3.46Å; V283-L287 WeakPolarHBondContact O-CG 3.46Å; V283-L287 PolarHBondContact O-N 3.29Å; I284-L287 PolarHBondContact O-N 2.76Å; S285-L287 VanDerWaalsContact C-N 3.31Å; S285-L287 PolarHBondContact O-N 2.84Å; L287-V295 HydrophobicContact CD2-CG2 4.09Å; L287-V295 HydrophobicContact CG-CG1 4.14Å; L287-V295 HydrophobicContact CG-CG2 4.3Å; L287-L310 HydrophobicContact CD1-CB 3.99Å; L287-I345 HydrophobicContact CB-CG1 4.29Å; L287-I345 HydrophobicContact CD1-CD1 4.41Å; L287-I345 HydrophobicContact CD1-CG1 4.46Å; L287-I345 HydrophobicContact CD1-CG2 4Å
288V87.3Confident84.9Confident45 Ų4557.1 Ų57.127%0.27332%0.32SS..Hα-helixtrans-84.8-37.4-175.7174.40000112.1I284 S285 G290 R341 N344 I345I284-V288 HydrophobicContact CG2-CG2 4.45Å; I284-V288 VanDerWaalsContact O-CG2 3.25Å; I284-V288 WeakPolarHBondContact O-CG2 3.32Å; I284-V288 PolarHBondContact O-N 3.41Å; I284-V288 VanDerWaalsContact O-N 3.09Å; S285-V288 PolarHBondContact O-N 2.9Å; V288-G290 PolarHBondContact O-N 3.45Å; V288-R341 VanDerWaalsContact CG2-O 3.29Å; V288-R341 WeakPolarHBondContact CG2-O 3.25Å; V288-N344 HydrophobicContact CG1-CB 3.83Å; V288-N344 HydrophobicContact CG2-CB 4.01Å; V288-I345 HydrophobicContact CG2-CG1 3.89Å
289D81.4Confident85Confident97 Ų9758.5 Ų58.552%0.51932%0.322SS..Hα-helixtrans-66.7-21.9-177.2-75.3-20.9000113.2S285 K291S285-D289 WeakPolarHBondContact O-CB 3.45Å; S285-D289 VanDerWaalsContact O-CG 3.25Å; S285-D289 PolarHBondContact O-N 3.49Å; D289-K291 WeakPolarHBondContact O-CG 3.46Å; D289-K291 PolarHBondContact O-N 3.29Å
290G71.3Confident85.2Confident69 Ų6958.4 Ų58.471%0.71132%0.322SS*.SBendtrans64.7-8.717800000116V288V288-G290 PolarHBondContact O-N 3.45Å
291K77.4Confident85.2Confident184 Ų18461 Ų6180%0.833%0.333SS*.  trans-87.4-20.7-179.2-66.5161.7-172168.30113D289 T293D289-K291 WeakPolarHBondContact O-CG 3.46Å; D289-K291 PolarHBondContact O-N 3.29Å; K291-T293 PolarHBondContact O-N 3.5Å
292S74.4Confident85.4Confident56 Ų5660.6 Ų60.639%0.39233%0.329SS..  trans-87.4106.4-175.3-66.90000111H294S292-H294 PolarHBondContact O-N 3.03Å
293T76.8Confident85.7Confident155 Ų15556.2 Ų56.295%0.95131%0.306SS*.SBendtrans-64.3-23.2176.1-36.60000113.1K291K291-T293 PolarHBondContact O-N 3.5Å
294H84.8Confident85.8Confident135 Ų13556.8 Ų56.863%0.62531%0.308SS*.  trans-123.1128.5-179.2173.5-92000110.8S292S292-H294 PolarHBondContact O-N 3.03Å
295V87.6Confident85.9Confident28 Ų2858.1 Ų58.117%0.1732%0.315CS..  trans-105.7125.1177.9-176.70000109.3V283 A286 L287 Y297V283-V295 HydrophobicContact CB-CG1 4.17Å; V283-V295 HydrophobicContact CG1-CG1 3.82Å; V283-V295 HydrophobicContact CG2-CG1 4.1Å; A286-V295 HydrophobicContact CB-CG1 4.35Å; A286-V295 HydrophobicContact CB-CG2 4.25Å; L287-V295 HydrophobicContact CD2-CG2 4.09Å; L287-V295 HydrophobicContact CG-CG1 4.14Å; L287-V295 HydrophobicContact CG-CG2 4.3Å; V295-Y297 VanDerWaalsContact C-N 3.27Å; V295-Y297 HydrophobicContact CB-CD2 4.09Å; V295-Y297 HydrophobicContact CB-CE2 3.55Å; V295-Y297 HydrophobicContact CG1-CD1 4.37Å; V295-Y297 HydrophobicContact CG1-CD2 4.02Å; V295-Y297 HydrophobicContact CG1-CE1 3.87Å; V295-Y297 HydrophobicContact CG1-CE2 3.5Å; V295-Y297 VanDerWaalsContact CG1-CE2 3.5Å; V295-Y297 HydrophobicContact CG1-CG 4.41Å; V295-Y297 HydrophobicContact CG2-CE2 4.49Å; V295-Y297 WeakPolarHBondContact O-CD2 3.34Å; V295-Y297 PolarHBondContact O-N 3.33Å
296P88.6Confident86.1Confident21 Ų2157.2 Ų57.214%0.13631%0.309CS..  trans-82.247.6-164.334.2-38.6000115.1N282 V283 R298 N299N282-P296 HydrophobicContact CB-CG 4.23Å; V283-P296 HydrophobicContact CG2-CG 4.1Å; P296-R298 PolarHBondContact O-N 3.18Å; P296-R298 VanDerWaalsContact O-N 3.14Å; P296-N299 PolarHBondContact O-N 2.92Å
297Y89.1Confident86.3Confident32 Ų3259 Ų5913%0.12532%0.315CS..G310 helixtrans-56-33.1-179-59.3-73.4000113.6V283 V295 N299 T303 R304 Q307 L310V283-Y297 HydrophobicContact CG1-CD1 3.81Å; V283-Y297 HydrophobicContact CG1-CE1 3.39Å; V283-Y297 HydrophobicContact CG2-CD1 4.02Å; V283-Y297 HydrophobicContact CG2-CE1 4.4Å; V295-Y297 VanDerWaalsContact C-N 3.27Å; V295-Y297 HydrophobicContact CB-CD2 4.09Å; V295-Y297 HydrophobicContact CB-CE2 3.55Å; V295-Y297 HydrophobicContact CG1-CD1 4.37Å; V295-Y297 HydrophobicContact CG1-CD2 4.02Å; V295-Y297 HydrophobicContact CG1-CE1 3.87Å; V295-Y297 HydrophobicContact CG1-CE2 3.5Å; V295-Y297 VanDerWaalsContact CG1-CE2 3.5Å; V295-Y297 HydrophobicContact CG1-CG 4.41Å; V295-Y297 HydrophobicContact CG2-CE2 4.49Å; V295-Y297 WeakPolarHBondContact O-CD2 3.34Å; V295-Y297 PolarHBondContact O-N 3.33Å; Y297-N299 PolarHBondContact O-N 2.92Å; Y297-T303 WeakPolarHBondContact CD1-O 3.26Å; Y297-T303 CarbonylContact O-C 3.39Å; Y297-T303 WeakPolarHBondContact O-CB 3.48Å; Y297-T303 PolarHBondContact O-OG1 3.34Å; Y297-R304 VanDerWaalsContact O-CG 3.28Å; Y297-R304 WeakPolarHBondContact O-CG 3.35Å; Y297-R304 PolarHBondContact O-N 2.77Å; Y297-Q307 HydrophobicContact CD1-CB 4.05Å; Y297-Q307 HydrophobicContact CD1-CG 3.94Å; Y297-Q307 HydrophobicContact CD2-CG 3.83Å; Y297-Q307 HydrophobicContact CE1-CB 4.45Å; Y297-Q307 HydrophobicContact CE1-CG 4.15Å; Y297-Q307 HydrophobicContact CE2-CG 4.02Å; Y297-Q307 HydrophobicContact CG-CB 4.22Å; Y297-Q307 HydrophobicContact CG-CG 3.79Å; Y297-L310 HydrophobicContact CE1-CB 4.45Å; Y297-L310 PolarHBondContact OH-O 3.46Å
298R87.4Confident86.3Confident129 Ų12959.6 Ų59.649%0.48732%0.318SS..G310 helixtrans-67.2-16.3-176.6-68.6-175.4174.2-163.6-2.4114.5P296 S300 E612P296-R298 PolarHBondContact O-N 3.18Å; P296-R298 VanDerWaalsContact O-N 3.14Å; R298-S300 VanDerWaalsContact C-N 3.28Å; R298-S300 PolarHBondContact O-N 3.26Å; R298-E612 PolarHBondContact NH1-O 3.41Å
299N84.3Confident86.5Confident97 Ų9757.5 Ų57.552%0.51931%0.306SS..G310 helixtrans-75.7-10.1-172.6-70.411.8000114.5T279 P296 Y297T279-N299 HydrophobicContact CG2-CB 3.53Å; P296-N299 PolarHBondContact O-N 2.92Å; Y297-N299 PolarHBondContact O-N 2.92Å
300S90.3Very high87Confident2 Ų252.9 Ų52.91%0.01428%0.281CS..SBendtrans-146.5147.1169.5169.20000110.5E155 S276 R298 L302 T303 R304E155-S300 WeakPolarHBondContact OE1-CB 3.36Å; E155-S300 PolarHBondContact OE1-OG 2.81Å; E155-S300 WeakPolarHBondContact OE2-CA 3.48Å; E155-S300 PolarHBondContact OE2-OG 3.48Å; S276-S300 WeakPolarHBondContact CA-OG 3.43Å; S276-S300 WeakPolarHBondContact CB-OG 3.41Å; R298-S300 VanDerWaalsContact C-N 3.28Å; R298-S300 PolarHBondContact O-N 3.26Å; S300-L302 PolarHBondContact O-N 2.71Å; S300-L302 PolarHBondContact OG-N 3.29Å; S300-T303 PolarHBondContact N-OG1 2.72Å; S300-T303 PolarHBondContact O-N 3.14Å; S300-T303 PolarHBondContact O-OG1 3.4Å; S300-R304 PolarHBondContact O-N 3.35Å; S300-R304 VanDerWaalsContact O-N 3.14Å
301K91.1Very high87.7Confident54 Ų5451 Ų5124%0.23526%0.262CS..Hα-helixtrans-60.5-32.6173.3-55-54.7-175.7-177.10111.6E155 V157 V171 R304 L305E155-K301 PolarHBondContact OE2-N 2.93Å; V157-K301 HydrophobicContact CG2-CB 4.24Å; V171-K301 HydrophobicContact CB-CD 4.45Å; V171-K301 HydrophobicContact CG2-CB 4.28Å; V171-K301 HydrophobicContact CG2-CD 4.09Å; V171-K301 HydrophobicContact CG2-CG 4.5Å; K301-R304 PolarHBondContact O-N 2.85Å; K301-L305 WeakPolarHBondContact O-CD1 3.37Å; K301-L305 VanDerWaalsContact O-CG 3.28Å; K301-L305 WeakPolarHBondContact O-CG 3.22Å; K301-L305 PolarHBondContact O-N 3.42Å; K301-L305 VanDerWaalsContact O-N 3.12Å
302L92.1Very high88.3Confident0 Ų043.1 Ų43.10%023%0.232CC..Hα-helixtrans-61.3-49.9175.9177.767.6000111.4I152 H221 I223 L251 L277 L280 S300 R304 L305 L306I152-L302 HydrophobicContact CD1-CB 4.07Å; I152-L302 HydrophobicContact CD1-CD1 3.98Å; H221-L302 HydrophobicContact CB-CD1 4.26Å; I223-L302 HydrophobicContact CD1-CD1 4.27Å; L251-L302 HydrophobicContact CD2-CD1 3.94Å; L251-L302 HydrophobicContact CD2-CD2 3.93Å; L277-L302 HydrophobicContact CD2-CD2 4.47Å; L280-L302 HydrophobicContact CD2-CD2 4.39Å; S300-L302 PolarHBondContact O-N 2.71Å; S300-L302 PolarHBondContact OG-N 3.29Å; L302-R304 VanDerWaalsContact C-N 3.34Å; L302-R304 PolarHBondContact O-N 3.01Å; L302-L305 PolarHBondContact O-N 2.91Å; L302-L306 HydrophobicContact CD1-CD1 3.74Å; L302-L306 HydrophobicContact CD1-CG 4.29Å; L302-L306 HydrophobicContact CG-CD1 4.18Å; L302-L306 PolarHBondContact O-N 2.68Å
303T92.4Very high89.1Confident0 Ų041.3 Ų41.30%022%0.219CC..Hα-helixtrans-72.1-25.6-17845.10000113.6T279 L280 V283 Y297 S300 Q307T279-T303 HydrophobicContact CG2-CG2 3.94Å; T279-T303 WeakPolarHBondContact CG2-OG1 3.4Å; L280-T303 HydrophobicContact CB-CG2 4.01Å; L280-T303 HydrophobicContact CD1-CG2 3.7Å; L280-T303 HydrophobicContact CG-CG2 4.49Å; V283-T303 HydrophobicContact CG2-CG2 4Å; Y297-T303 WeakPolarHBondContact CD1-O 3.26Å; Y297-T303 CarbonylContact O-C 3.39Å; Y297-T303 WeakPolarHBondContact O-CB 3.48Å; Y297-T303 PolarHBondContact O-OG1 3.34Å; S300-T303 PolarHBondContact N-OG1 2.72Å; S300-T303 PolarHBondContact O-N 3.14Å; S300-T303 PolarHBondContact O-OG1 3.4Å; T303-Q307 PolarHBondContact O-N 2.85Å
304R91.8Very high89.9Confident12 Ų1234 Ų345%0.04517%0.174CC..Hα-helixtrans-66.8-43.6167.8-68.8-167.475.4169.42.3111.9V171 E173 V179 Y297 S300 K301 L302 Q307V171-R304 HydrophobicContact CG1-CB 4.27Å; E173-R304 IonicContact OE2-CZ 3.97Å; E173-R304 IonicContact OE2-NH2 3.95Å; E173-R304 PolarHBondContact OE2-NH2 3.02Å; V179-R304 HydrophobicContact CG1-CB 4.32Å; Y297-R304 VanDerWaalsContact O-CG 3.28Å; Y297-R304 WeakPolarHBondContact O-CG 3.35Å; Y297-R304 PolarHBondContact O-N 2.77Å; S300-R304 PolarHBondContact O-N 3.35Å; S300-R304 VanDerWaalsContact O-N 3.14Å; K301-R304 PolarHBondContact O-N 2.85Å; L302-R304 VanDerWaalsContact C-N 3.34Å; L302-R304 PolarHBondContact O-N 3.01Å; R304-Q307 VanDerWaalsContact O-CB 3.27Å; R304-Q307 WeakPolarHBondContact O-CB 3.43Å; R304-Q307 PolarHBondContact O-N 2.72Å
305L91.9Very high90.3Very high28 Ų2829.3 Ų29.315%0.14715%0.152CC..Hα-helixtrans-71.7-30.1-178.5-68.2166.9000112.7I152 V171 V179 I181 K301 L302I152-L305 HydrophobicContact CD1-CD1 3.72Å; V171-L305 HydrophobicContact CG1-CD2 4.15Å; V171-L305 HydrophobicContact CG2-CD1 4.34Å; V171-L305 HydrophobicContact CG2-CD2 4.31Å; V171-L305 HydrophobicContact CG2-CG 4.35Å; V179-L305 HydrophobicContact CG1-CD2 4.25Å; I181-L305 HydrophobicContact CD1-CD1 3.98Å; I181-L305 HydrophobicContact CD1-CD2 3.71Å; I181-L305 HydrophobicContact CG1-CD1 4.48Å; I181-L305 HydrophobicContact CG1-CD2 3.63Å; K301-L305 WeakPolarHBondContact O-CD1 3.37Å; K301-L305 VanDerWaalsContact O-CG 3.28Å; K301-L305 WeakPolarHBondContact O-CG 3.22Å; K301-L305 PolarHBondContact O-N 3.42Å; K301-L305 VanDerWaalsContact O-N 3.12Å; L302-L305 PolarHBondContact O-N 2.91Å
306L92Very high90.7Very high3 Ų328.1 Ų28.12%0.01615%0.145CC..THydrogen-bonded Turntrans-96.215.6175.9-59.1-178.4000113.5T95 V249 L302 D308 S309 L310T95-L306 HydrophobicContact CG2-CD2 4.3Å; V249-L306 HydrophobicContact CG2-CD2 4.17Å; L302-L306 HydrophobicContact CD1-CD1 3.74Å; L302-L306 HydrophobicContact CD1-CG 4.29Å; L302-L306 HydrophobicContact CG-CD1 4.18Å; L302-L306 PolarHBondContact O-N 2.68Å; L306-D308 VanDerWaalsContact C-N 3.33Å; L306-D308 PolarHBondContact O-N 2.91Å; L306-S309 WeakPolarHBondContact O-CA 3.42Å; L306-S309 WeakPolarHBondContact O-CB 3.41Å; L306-S309 PolarHBondContact O-N 3.47Å; L306-L310 HydrophobicContact CB-CD1 4.46Å; L306-L310 PolarHBondContact O-N 3.45Å
307Q91.4Very high91.1Very high47 Ų4727.2 Ų27.222%0.2214%0.138CC..THydrogen-bonded Turntrans-60.3-41.1-179.5-178.1173.4-52.500111.9Y297 T303 R304 S309 L310Y297-Q307 HydrophobicContact CD1-CB 4.05Å; Y297-Q307 HydrophobicContact CD1-CG 3.94Å; Y297-Q307 HydrophobicContact CD2-CG 3.83Å; Y297-Q307 HydrophobicContact CE1-CB 4.45Å; Y297-Q307 HydrophobicContact CE1-CG 4.15Å; Y297-Q307 HydrophobicContact CE2-CG 4.02Å; Y297-Q307 HydrophobicContact CG-CB 4.22Å; Y297-Q307 HydrophobicContact CG-CG 3.79Å; T303-Q307 PolarHBondContact O-N 2.85Å; R304-Q307 VanDerWaalsContact O-CB 3.27Å; R304-Q307 WeakPolarHBondContact O-CB 3.43Å; R304-Q307 PolarHBondContact O-N 2.72Å; Q307-S309 VanDerWaalsContact C-N 3.27Å; Q307-S309 PolarHBondContact O-N 3.35Å; Q307-L310 PolarHBondContact O-N 3.3Å
308D89.4Confident91.5Very high57 Ų5725.7 Ų25.731%0.30513%0.132SC..THydrogen-bonded Turntrans-70-24.8175.4-70.1-30.9000112.8L306 G312 N313 S314L306-D308 VanDerWaalsContact C-N 3.33Å; L306-D308 PolarHBondContact O-N 2.91Å; D308-G312 CarbonylContact O-C 3.24Å; D308-G312 VanDerWaalsContact O-CA 3.29Å; D308-G312 WeakPolarHBondContact O-CA 3.4Å; D308-N313 CarbonylContact O-C 3.57Å; D308-N313 PolarHBondContact O-N 3.47Å; D308-S314 VanDerWaalsContact O-CB 3.29Å; D308-S314 WeakPolarHBondContact O-CB 3.43Å; D308-S314 PolarHBondContact O-N 2.8Å
309S91.8Very high91.9Very high1 Ų119.5 Ų19.51%0.00711%0.109CC..THydrogen-bonded Turntrans-78.3-22.1179.8-46.70000113.5T95 L306 Q307 T316 N347T95-S309 WeakPolarHBondContact CB-OG 3.49Å; T95-S309 WeakPolarHBondContact CG2-OG 3.46Å; T95-S309 PolarHBondContact OG1-OG 2.92Å; L306-S309 WeakPolarHBondContact O-CA 3.42Å; L306-S309 WeakPolarHBondContact O-CB 3.41Å; L306-S309 PolarHBondContact O-N 3.47Å; Q307-S309 VanDerWaalsContact C-N 3.27Å; Q307-S309 PolarHBondContact O-N 3.35Å; S309-T316 WeakPolarHBondContact CA-OG1 3.41Å; S309-T316 WeakPolarHBondContact O-CB 3.48Å; S309-T316 WeakPolarHBondContact O-CG2 3.5Å; S309-T316 PolarHBondContact O-OG1 3Å; S309-N347 PolarHBondContact O-ND2 2.84Å
310L91Very high92.6Very high1 Ų114.9 Ų14.91%0.0059%0.085CC..SBendtrans-124.995.4-172.7-61.3172.8000109.1F97 L280 V283 L287 Y297 L306 Q307 G312 I345F97-L310 HydrophobicContact CE1-CD2 4.39Å; F97-L310 HydrophobicContact CZ-CD2 4.45Å; L280-L310 HydrophobicContact CD1-CD1 3.49Å; L280-L310 VanDerWaalsContact CD1-CD1 3.49Å; V283-L310 HydrophobicContact CG1-CB 4.39Å; V283-L310 HydrophobicContact CG1-CD1 4.19Å; L287-L310 HydrophobicContact CD1-CB 3.99Å; Y297-L310 HydrophobicContact CE1-CB 4.45Å; Y297-L310 PolarHBondContact OH-O 3.46Å; L306-L310 HydrophobicContact CB-CD1 4.46Å; L306-L310 PolarHBondContact O-N 3.45Å; Q307-L310 PolarHBondContact O-N 3.3Å; L310-G312 VanDerWaalsContact C-N 3.31Å; L310-I345 HydrophobicContact CD2-CD1 4.03Å
311G86.2Confident92.9Very high29 Ų2914.9 Ų14.930%0.2998%0.084SC..SBendtrans80.85-175.900000115.2N347G311-N347 WeakPolarHBondContact CA-OD1 3.49Å; G311-N347 PolarHBondContact N-OD1 3.43Å
312G89.6Confident93.2Very high18 Ų1812.3 Ų12.319%0.1867%0.073CC..SBendtrans-112.4-154.6-176.100000114.9D308 L310 S314 K348D308-G312 CarbonylContact O-C 3.24Å; D308-G312 VanDerWaalsContact O-CA 3.29Å; D308-G312 WeakPolarHBondContact O-CA 3.4Å; L310-G312 VanDerWaalsContact C-N 3.31Å; G312-S314 PolarHBondContact O-N 3.48Å; G312-K348 PolarHBondContact O-N 2.97Å
313N91.2Very high93.3Very high19 Ų1912.3 Ų12.310%0.1027%0.073CC..SBendtrans-88.381.2178.1175.728000111.6N93 D308 R350 N352N93-N313 VanDerWaalsContact CB-O 3.24Å; N93-N313 WeakPolarHBondContact CB-O 3.46Å; N93-N313 PolarHBondContact ND2-ND2 2.98Å; N93-N313 PolarHBondContact ND2-O 3.32Å; D308-N313 CarbonylContact O-C 3.57Å; D308-N313 PolarHBondContact O-N 3.47Å; N313-R350 PolarHBondContact ND2-NE 2.85Å; N313-R350 VanDerWaalsContact OD1-CG 3.29Å; N313-R350 WeakPolarHBondContact OD1-CG 3.33Å; N313-R350 PolarHBondContact OD1-N 2.94Å; N313-R350 PolarHBondContact OD1-O 3.37Å; N313-N352 PolarHBondContact ND2-OD1 2.86Å
314S93.1Very high93.5Very high2 Ų212.7 Ų12.71%0.0148%0.075CC..SBendtrans-165.9139.6171.7-179.10000112N93 T95 D308 G312 T316 N347N93-S314 WeakPolarHBondContact O-CA 3.37Å; N93-S314 PolarHBondContact O-OG 2.81Å; T95-S314 PolarHBondContact N-OG 2.84Å; T95-S314 PolarHBondContact OG1-OG 3.45Å; D308-S314 VanDerWaalsContact O-CB 3.29Å; D308-S314 WeakPolarHBondContact O-CB 3.43Å; D308-S314 PolarHBondContact O-N 2.8Å; G312-S314 PolarHBondContact O-N 3.48Å; S314-T316 PolarHBondContact O-N 2.93Å; S314-T316 PolarHBondContact OG-OG1 2.91Å; S314-N347 WeakPolarHBondContact O-CB 3.48Å; S314-N347 PolarHBondContact O-ND2 2.9Å
315K95.1Very high93.6Very high35 Ų3512.1 Ų12.115%0.1527%0.074CC..EExtended strand (participates in β ladder)trans-78111.3165.2-62.2-169.8-164.7170.50108.3I84 S87 N93 G94 T95 A349I84-K315 HydrophobicContact CD1-CB 3.98Å; S87-K315 WeakPolarHBondContact OG-CD 3.28Å; S87-K315 PolarHBondContact OG-NZ 2.86Å; N93-K315 PolarHBondContact O-N 2.86Å; G94-K315 VanDerWaalsContact CA-O 3.32Å; G94-K315 WeakPolarHBondContact CA-O 3.35Å; T95-K315 PolarHBondContact N-O 3.25Å; K315-A349 HydrophobicContact CG-CB 3.56Å
316T95.9Very high93.5Very high4 Ų412.9 Ų12.93%0.0258%0.078CC..EExtended strand (participates in β ladder)trans-117.7137.2-168.5-63.20000112.5V15 K16 T95 F97 S309 S314 N347V15-T316 WeakPolarHBondContact CA-O 3.44Å; V15-T316 HydrophobicContact CG1-CG2 4.16Å; V15-T316 HydrophobicContact CG2-CG2 4.36Å; K16-T316 PolarHBondContact N-O 2.91Å; T95-T316 HydrophobicContact CG2-CG2 4.32Å; T95-T316 CarbonylContact O-C 3.53Å; T95-T316 WeakPolarHBondContact O-CA 3.29Å; F97-T316 HydrophobicContact CD1-CG2 4.09Å; F97-T316 HydrophobicContact CE1-CG2 3.69Å; S309-T316 WeakPolarHBondContact CA-OG1 3.41Å; S309-T316 WeakPolarHBondContact O-CB 3.48Å; S309-T316 WeakPolarHBondContact O-CG2 3.5Å; S309-T316 PolarHBondContact O-OG1 3Å; S314-T316 PolarHBondContact O-N 2.93Å; S314-T316 PolarHBondContact OG-OG1 2.91Å; T316-N347 PolarHBondContact OG1-ND2 3.02Å
317M95.9Very high93.4Very high1 Ų119.2 Ų19.21%0.00510%0.102CC..EExtended strand (participates in β ladder)trans-125.6129.4175.8-176.7-87.8-77.700110.8K16 V18 T80 I84 T95 I96 F97 I122 C319K16-M317 HydrophobicContact CB-CB 4.43Å; K16-M317 HydrophobicContact CB-CG 4.33Å; K16-M317 CarbonylContact O-C 3.53Å; K16-M317 VanDerWaalsContact O-CA 3.29Å; K16-M317 WeakPolarHBondContact O-CA 3.4Å; V18-M317 HydrophobicContact CG2-CG 4.49Å; V18-M317 HydrophobicContact CG2-SD 3.71Å; T80-M317 WeakPolarHBondContact OG1-CE 3.47Å; I84-M317 HydrophobicContact CG1-CB 4.33Å; T95-M317 PolarHBondContact O-N 2.89Å; I96-M317 WeakPolarHBondContact CA-O 3.47Å; I96-M317 HydrophobicContact CB-CE 4.24Å; I96-M317 HydrophobicContact CD1-CE 4.17Å; I96-M317 HydrophobicContact CG1-CE 4.02Å; I96-M317 HydrophobicContact CG2-CE 3.39Å; I96-M317 HydrophobicContact CG2-SD 4.22Å; F97-M317 PolarHBondContact N-O 2.94Å; I122-M317 HydrophobicContact CD1-CE 4.28Å; M317-C319 HydrophobicContact SD-CB 4.13Å
318M96.7Very high93.3Very high0 Ų017.5 Ų17.50%010%0.095CC..EExtended strand (participates in β ladder)trans-103.4122.7172.1177-177.9176.100109.6V15 K16 V17 V18 F97 Y99 A320 Y338 A339 A342V15-M318 HydrophobicContact CG1-CB 4.49Å; K16-M318 PolarHBondContact O-N 3.43Å; V17-M318 HydrophobicContact CG2-CB 4.31Å; V18-M318 PolarHBondContact N-O 3.2Å; F97-M318 HydrophobicContact CD2-CB 4.43Å; F97-M318 HydrophobicContact CD2-CG 4.12Å; F97-M318 HydrophobicContact CE1-CB 3.97Å; F97-M318 HydrophobicContact CE2-CB 3.81Å; F97-M318 HydrophobicContact CE2-CG 3.46Å; F97-M318 VanDerWaalsContact CE2-CG 3.46Å; F97-M318 HydrophobicContact CE2-SD 3.96Å; F97-M318 HydrophobicContact CZ-CB 3.56Å; F97-M318 HydrophobicContact CZ-CG 3.72Å; F97-M318 HydrophobicContact CZ-SD 4.14Å; Y99-M318 HydrophobicContact CD1-CE 3.49Å; Y99-M318 VanDerWaalsContact CD1-CE 3.49Å; Y99-M318 HydrophobicContact CE1-CE 4.33Å; Y99-M318 HydrophobicContact CG-CE 3.68Å; M318-A320 HydrophobicContact CE-CB 4.09Å; M318-Y338 HydrophobicContact CE-CD1 3.72Å; M318-Y338 HydrophobicContact CE-CE1 4.23Å; M318-Y338 HydrophobicContact SD-CD1 4.41Å; M318-A339 HydrophobicContact CE-CB 3.98Å; M318-A339 HydrophobicContact SD-CB 4.3Å; M318-A342 HydrophobicContact SD-CB 3.64Å
319C97.4Very high93.4Very high0 Ų015.6 Ų15.60%08%0.083CC..EExtended strand (participates in β ladder)trans-98.3108.8166.9-1700000109.8V18 F97 A98 Y99 M317V18-C319 HydrophobicContact CG2-CB 3.99Å; V18-C319 CarbonylContact O-C 3.58Å; V18-C319 WeakPolarHBondContact O-CA 3.32Å; F97-C319 PolarHBondContact O-N 2.92Å; A98-C319 CarbonylContact C-O 3.59Å; A98-C319 WeakPolarHBondContact CA-O 3.35Å; Y99-C319 PolarHBondContact N-O 2.68Å; M317-C319 HydrophobicContact SD-CB 4.13Å
320A97.7Very high93.1Very high0 Ų018.2 Ų18.20%010%0.097CC..EExtended strand (participates in β ladder)trans-88.3111.9174.700000110.1V18 V19 R20 Y99 M318 T335 A339V18-A320 PolarHBondContact O-N 3.48Å; V19-A320 CarbonylContact C-O 3.55Å; V19-A320 WeakPolarHBondContact CA-O 3.36Å; V19-A320 HydrophobicContact CB-CB 4.48Å; V19-A320 HydrophobicContact CG1-CB 4.21Å; V19-A320 WeakPolarHBondContact CG1-O 3.36Å; V19-A320 HydrophobicContact CG2-CB 4.09Å; R20-A320 PolarHBondContact N-O 3.5Å; Y99-A320 CarbonylContact O-C 3.46Å; Y99-A320 WeakPolarHBondContact O-CA 3.18Å; M318-A320 HydrophobicContact CE-CB 4.09Å; A320-T335 HydrophobicContact CB-CG2 4.05Å; A320-A339 HydrophobicContact CB-CB 3.85Å
321N97.5Very high93Very high1 Ų118.4 Ų18.41%0.00510%0.098CC..EExtended strand (participates in β ladder)trans-94.8122.9179.7-64.5110.4000111R20 Y99 T104 K106 T109R20-N321 WeakPolarHBondContact O-CA 3.32Å; Y99-N321 PolarHBondContact O-N 3.27Å; T104-N321 WeakPolarHBondContact CB-O 3.35Å; T104-N321 VanDerWaalsContact OG1-CB 3.26Å; T104-N321 WeakPolarHBondContact OG1-CB 3.5Å; T104-N321 PolarHBondContact OG1-O 3.2Å; K106-N321 VanDerWaalsContact CA-OD1 3.32Å; K106-N321 WeakPolarHBondContact CA-OD1 3.2Å; K106-N321 HydrophobicContact CG-CB 4.19Å; T109-N321 PolarHBondContact OG1-ND2 3.38Å
322I97.3Very high93.4Very high1 Ų117.1 Ų17.11%0.0059%0.085CC..EExtended strand (participates in β ladder)trans-122.6153.2-178.963.4173.2000112.5V19 R20 C21 R22 V37 I46 T332 T335 L336V19-I322 HydrophobicContact CG1-CD1 4.02Å; V19-I322 HydrophobicContact CG1-CG1 4.21Å; V19-I322 HydrophobicContact CG1-CG2 4.35Å; R20-I322 PolarHBondContact O-N 2.79Å; C21-I322 HydrophobicContact CB-CD1 4.1Å; C21-I322 HydrophobicContact CB-CG1 3.85Å; R22-I322 PolarHBondContact N-O 3.33Å; V37-I322 HydrophobicContact CG1-CD1 3.93Å; I46-I322 HydrophobicContact CD1-CD1 4.1Å; I46-I322 HydrophobicContact CG2-CD1 4.16Å; I322-T332 HydrophobicContact CB-CG2 4.05Å; I322-T332 HydrophobicContact CD1-CG2 4.1Å; I322-T332 HydrophobicContact CG2-CG2 4.13Å; I322-T335 HydrophobicContact CG2-CG2 3.74Å; I322-L336 HydrophobicContact CD1-CD2 4.38Å
323G94.8Very high93.5Very high0 Ų016.6 Ų16.60%08%0.078CC..  trans-94.6148.8170.900000111
324P94.8Very high93.4Very high7 Ų716.8 Ų16.85%0.0458%0.08CC..  trans-83.1-16.1-17932.4-35.4000113.6R22 L24 P35 A36R22-P324 VanDerWaalsContact O-CD 3.23Å; R22-P324 WeakPolarHBondContact O-CD 3.46Å; R22-P324 VanDerWaalsContact O-CG 3.28Å; R22-P324 WeakPolarHBondContact O-CG 3.47Å; L24-P324 HydrophobicContact CB-CG 4.41Å; L24-P324 HydrophobicContact CD2-CG 3.8Å; L24-P324 HydrophobicContact CG-CB 4.49Å; L24-P324 HydrophobicContact CG-CG 3.75Å; P35-P324 CarbonylContact C-O 3.57Å; P35-P324 WeakPolarHBondContact CA-O 3.4Å; A36-P324 PolarHBondContact N-O 2.92Å
325A94.3Very high93.5Very high1 Ų116.8 Ų16.81%0.0088%0.08CC..BIsolated β-bridgetrans-71.3135.8-171.900000113.4L24 E28 K34 Y327 N328L24-A325 HydrophobicContact CD2-CB 3.92Å; E28-A325 HydrophobicContact CB-CB 4.46Å; E28-A325 HydrophobicContact CG-CB 3.99Å; K34-A325 WeakPolarHBondContact O-CA 3.47Å; A325-Y327 VanDerWaalsContact C-N 3.29Å; A325-Y327 PolarHBondContact O-N 3.21Å; A325-N328 PolarHBondContact O-N 3.43Å
326D91.4Very high93.5Very high44 Ų4415.1 Ų15.124%0.2357%0.073CC..G310 helixtrans-52.1-39.2174.156.1-9.7000114.3Y33 K34 A36 L51 N328 Y329Y33-D326 VanDerWaalsContact CB-OD1 3.31Å; Y33-D326 WeakPolarHBondContact CB-OD1 3.41Å; K34-D326 PolarHBondContact N-OD1 3.42Å; K34-D326 VanDerWaalsContact N-OD1 3.07Å; K34-D326 PolarHBondContact N-OD2 3.41Å; K34-D326 PolarHBondContact O-N 2.97Å; A36-D326 HydrophobicContact CB-CB 3.98Å; L51-D326 HydrophobicContact CD1-CB 3.77Å; L51-D326 HydrophobicContact CG-CB 4.21Å; D326-N328 PolarHBondContact O-N 3.49Å; D326-Y329 VanDerWaalsContact O-CB 3.26Å; D326-Y329 WeakPolarHBondContact O-CB 3.3Å; D326-Y329 PolarHBondContact O-N 2.5Å
327Y89.2Confident93.3Very high135 Ų13515.9 Ų15.953%0.5298%0.075SC..G310 helixtrans-52.7-28.6172.5179.2-101000114.3Y33 A325Y33-Y327 HydrophobicContact CE1-CD2 4.07Å; Y33-Y327 HydrophobicContact CE1-CG 4.08Å; Y33-Y327 HydrophobicContact CE2-CD1 4.28Å; Y33-Y327 HydrophobicContact CE2-CD2 4.5Å; Y33-Y327 AromaticContact CE2-CG 3.96Å; Y33-Y327 HydrophobicContact CE2-CG 3.96Å; Y33-Y327 AromaticContact CZ-CD2 3.81Å; Y33-Y327 AromaticContact CZ-CG 3.69Å; A325-Y327 VanDerWaalsContact C-N 3.29Å; A325-Y327 PolarHBondContact O-N 3.21Å
328N89.3Confident93Very high11 Ų1116.4 Ų16.46%0.0598%0.077CC..G310 helixtrans-98.916.5-179.9-66.5-49.4000113.4Q101 A325 D326 D330 E331 T332Q101-N328 PolarHBondContact NE2-OD1 2.87Å; Q101-N328 PolarHBondContact OE1-OD1 3.46Å; A325-N328 PolarHBondContact O-N 3.43Å; D326-N328 PolarHBondContact O-N 3.49Å; N328-D330 PolarHBondContact O-N 3.4Å; N328-E331 PolarHBondContact O-N 2.98Å; N328-T332 WeakPolarHBondContact O-CB 3.25Å; N328-T332 PolarHBondContact O-N 2.72Å; N328-T332 PolarHBondContact O-OG1 3.5Å
329Y90.3Very high92.9Very high18 Ų1816.4 Ų16.47%0.0718%0.077CC..Hα-helixtrans-49.8-54.5-179.8175.8-89.9000112.8V48 K50 K59 D326 E331 T332 I333V48-Y329 HydrophobicContact CB-CE2 4.47Å; V48-Y329 HydrophobicContact CG1-CD2 3.58Å; V48-Y329 HydrophobicContact CG1-CE2 3.7Å; K50-Y329 HydrophobicContact CB-CD2 4.21Å; K50-Y329 HydrophobicContact CB-CE1 4.42Å; K50-Y329 HydrophobicContact CB-CE2 3.69Å; K50-Y329 HydrophobicContact CD-CD1 4.29Å; K50-Y329 HydrophobicContact CD-CE1 3.67Å; K50-Y329 HydrophobicContact CD-CE2 4.41Å; K50-Y329 HydrophobicContact CG-CD1 4.39Å; K50-Y329 HydrophobicContact CG-CD2 4.46Å; K50-Y329 HydrophobicContact CG-CE1 4.13Å; K50-Y329 HydrophobicContact CG-CE2 4.21Å; K59-Y329 WeakPolarHBondContact CE-OH 3.47Å; D326-Y329 VanDerWaalsContact O-CB 3.26Å; D326-Y329 WeakPolarHBondContact O-CB 3.3Å; D326-Y329 PolarHBondContact O-N 2.5Å; Y329-E331 PolarHBondContact O-N 2.96Å; Y329-T332 WeakPolarHBondContact O-CB 3.37Å; Y329-T332 PolarHBondContact O-N 3.47Å; Y329-T332 VanDerWaalsContact O-N 3.15Å; Y329-I333 HydrophobicContact CD1-CG1 4.21Å; Y329-I333 HydrophobicContact CD2-CG1 4.32Å; Y329-I333 HydrophobicContact CE1-CG1 3.8Å; Y329-I333 HydrophobicContact CE2-CD1 4.15Å; Y329-I333 HydrophobicContact CE2-CG1 3.91Å; Y329-I333 HydrophobicContact CG-CG1 4.45Å; Y329-I333 WeakPolarHBondContact O-CG1 3.26Å; Y329-I333 PolarHBondContact O-N 3.29Å
330D87.2Confident92.7Very high56 Ų5619.5 Ų19.530%0.2999%0.094SC..Hα-helixtrans-57.9-43.2-177.6-83.414.7000113.3N328 S334 R569N328-D330 PolarHBondContact O-N 3.4Å; D330-S334 WeakPolarHBondContact O-CB 3.39Å; D330-S334 PolarHBondContact O-N 3.34Å; D330-S334 PolarHBondContact O-OG 2.96Å; D330-R569 IonicContact OD2-CZ 2.85Å; D330-R569 IonicContact OD2-NH1 3.61Å; D330-R569 PolarHBondContact OD2-NH1 2.81Å; D330-R569 IonicContact OD2-NH2 2.83Å
331E89Confident92.4Very high4 Ų423.7 Ų23.72%0.01911%0.11CC..Hα-helixtrans-73.4-33.6-180-51.6-54.6140.700111.2Q101 E255 K259 N328 Y329 S334 T335Q101-E331 HydrophobicContact CB-CB 4.26Å; Q101-E331 HydrophobicContact CG-CB 4.39Å; Q101-E331 HydrophobicContact CG-CG 4.39Å; E255-E331 WeakPolarHBondContact CA-OE2 2.82Å; K259-E331 WeakPolarHBondContact CD-OE1 3.24Å; K259-E331 WeakPolarHBondContact CE-OE1 3.42Å; K259-E331 IonicContact NZ-OE1 3.94Å; K259-E331 PolarHBondContact NZ-OE1 2.8Å; N328-E331 PolarHBondContact O-N 2.98Å; Y329-E331 PolarHBondContact O-N 2.96Å; E331-S334 PolarHBondContact O-N 3.4Å; E331-T335 VanDerWaalsContact O-CB 3.28Å; E331-T335 WeakPolarHBondContact O-CB 3.36Å; E331-T335 PolarHBondContact O-N 3.16Å; E331-T335 PolarHBondContact O-OG1 2.91Å
332T93.4Very high92.2Very high3 Ų323.7 Ų23.72%0.01811%0.109CC..Hα-helixtrans-65.9-47.2175.6-600000110.5V37 V48 I322 N328 Y329 T335 L336V37-T332 HydrophobicContact CG2-CG2 4.07Å; V48-T332 HydrophobicContact CG1-CG2 4.46Å; V48-T332 HydrophobicContact CG2-CG2 4.17Å; I322-T332 HydrophobicContact CB-CG2 4.05Å; I322-T332 HydrophobicContact CD1-CG2 4.1Å; I322-T332 HydrophobicContact CG2-CG2 4.13Å; N328-T332 WeakPolarHBondContact O-CB 3.25Å; N328-T332 PolarHBondContact O-N 2.72Å; N328-T332 PolarHBondContact O-OG1 3.5Å; Y329-T332 WeakPolarHBondContact O-CB 3.37Å; Y329-T332 PolarHBondContact O-N 3.47Å; Y329-T332 VanDerWaalsContact O-N 3.15Å; T332-T335 PolarHBondContact O-N 3.07Å; T332-L336 HydrophobicContact CG2-CD1 3.89Å; T332-L336 HydrophobicContact CG2-CG 4.49Å; T332-L336 WeakPolarHBondContact O-CB 3.18Å; T332-L336 VanDerWaalsContact O-CG 3.23Å; T332-L336 WeakPolarHBondContact O-CG 3.15Å; T332-L336 PolarHBondContact O-N 3.14Å
333I91.6Very high91.9Very high7 Ų725.9 Ų25.94%0.03612%0.119CC..Hα-helixtrans-62-45174.5-67-57.5000111.4V48 K59 F61 Y329 T335 L336 R337V48-I333 HydrophobicContact CB-CD1 3.83Å; V48-I333 HydrophobicContact CG1-CD1 4Å; V48-I333 HydrophobicContact CG2-CD1 4.12Å; K59-I333 HydrophobicContact CB-CD1 4.18Å; K59-I333 HydrophobicContact CD-CD1 3.85Å; F61-I333 HydrophobicContact CE2-CD1 4.02Å; F61-I333 HydrophobicContact CZ-CD1 4.39Å; Y329-I333 HydrophobicContact CD1-CG1 4.21Å; Y329-I333 HydrophobicContact CD2-CG1 4.32Å; Y329-I333 HydrophobicContact CE1-CG1 3.8Å; Y329-I333 HydrophobicContact CE2-CD1 4.15Å; Y329-I333 HydrophobicContact CE2-CG1 3.91Å; Y329-I333 HydrophobicContact CG-CG1 4.45Å; Y329-I333 WeakPolarHBondContact O-CG1 3.26Å; Y329-I333 PolarHBondContact O-N 3.29Å; I333-T335 VanDerWaalsContact C-N 3.31Å; I333-T335 PolarHBondContact O-N 2.89Å; I333-L336 PolarHBondContact O-N 3.36Å; I333-R337 HydrophobicContact CG2-CG 4.31Å; I333-R337 WeakPolarHBondContact O-CB 3.41Å; I333-R337 WeakPolarHBondContact O-CG 3.36Å; I333-R337 PolarHBondContact O-N 3.42Å
334S90Very high91.7Very high22 Ų2230 Ų3015%0.15414%0.141CC..Hα-helixtrans-59-44.2176.5-57.40000111.1D330 E331 R337 Y338 E566D330-S334 WeakPolarHBondContact O-CB 3.39Å; D330-S334 PolarHBondContact O-N 3.34Å; D330-S334 PolarHBondContact O-OG 2.96Å; E331-S334 PolarHBondContact O-N 3.4Å; S334-R337 PolarHBondContact O-N 2.91Å; S334-Y338 VanDerWaalsContact O-CB 3.31Å; S334-Y338 WeakPolarHBondContact O-CB 3.36Å; S334-Y338 PolarHBondContact O-N 3.04Å; S334-E566 PolarHBondContact OG-OE1 3.22Å
335T94.2Very high91.6Very high2 Ų229.7 Ų29.71%0.01214%0.139CC..Hα-helixtrans-62.9-44.8177.7-59.80000112.1Y99 A320 I322 E331 T332 I333 Y338 A339Y99-T335 HydrophobicContact CD1-CG2 4.1Å; Y99-T335 HydrophobicContact CE1-CG2 4.21Å; A320-T335 HydrophobicContact CB-CG2 4.05Å; I322-T335 HydrophobicContact CG2-CG2 3.74Å; E331-T335 VanDerWaalsContact O-CB 3.28Å; E331-T335 WeakPolarHBondContact O-CB 3.36Å; E331-T335 PolarHBondContact O-N 3.16Å; E331-T335 PolarHBondContact O-OG1 2.91Å; T332-T335 PolarHBondContact O-N 3.07Å; I333-T335 VanDerWaalsContact C-N 3.31Å; I333-T335 PolarHBondContact O-N 2.89Å; T335-Y338 WeakPolarHBondContact O-CB 3.27Å; T335-Y338 PolarHBondContact O-N 2.87Å; T335-A339 WeakPolarHBondContact O-CB 3.35Å; T335-A339 PolarHBondContact O-N 2.94Å
336L95.1Very high91.4Very high0 Ų036.7 Ų36.70%017%0.169CC..Hα-helixtrans-68.4-40.6179-68.7168.7000112.3V19 I46 V48 F61 F63 I322 T332 I333 Y338 A339 N340V19-L336 HydrophobicContact CG1-CD2 3.83Å; V19-L336 HydrophobicContact CG2-CD2 4.38Å; I46-L336 HydrophobicContact CD1-CD2 4.27Å; I46-L336 HydrophobicContact CG2-CD1 3.95Å; I46-L336 HydrophobicContact CG2-CD2 4.2Å; V48-L336 HydrophobicContact CG2-CD1 3.45Å; V48-L336 VanDerWaalsContact CG2-CD1 3.45Å; F61-L336 HydrophobicContact CD1-CB 4.26Å; F61-L336 HydrophobicContact CD2-CB 3.94Å; F61-L336 HydrophobicContact CD2-CD1 3.81Å; F61-L336 HydrophobicContact CD2-CG 4.38Å; F61-L336 HydrophobicContact CE1-CB 4.22Å; F61-L336 HydrophobicContact CE2-CB 3.89Å; F61-L336 HydrophobicContact CE2-CD1 3.88Å; F61-L336 HydrophobicContact CG-CB 4.13Å; F61-L336 HydrophobicContact CZ-CB 4.03Å; F63-L336 HydrophobicContact CE2-CD2 3.66Å; F63-L336 HydrophobicContact CZ-CB 4.43Å; F63-L336 HydrophobicContact CZ-CD2 3.76Å; I322-L336 HydrophobicContact CD1-CD2 4.38Å; T332-L336 HydrophobicContact CG2-CD1 3.89Å; T332-L336 HydrophobicContact CG2-CG 4.49Å; T332-L336 WeakPolarHBondContact O-CB 3.18Å; T332-L336 VanDerWaalsContact O-CG 3.23Å; T332-L336 WeakPolarHBondContact O-CG 3.15Å; T332-L336 PolarHBondContact O-N 3.14Å; I333-L336 PolarHBondContact O-N 3.36Å; L336-Y338 VanDerWaalsContact C-N 3.32Å; L336-Y338 PolarHBondContact O-N 3.29Å; L336-A339 PolarHBondContact O-N 3.4Å; L336-N340 VanDerWaalsContact O-CB 3.26Å; L336-N340 WeakPolarHBondContact O-CB 3.33Å; L336-N340 PolarHBondContact O-N 3.48Å
337R91.3Very high91.4Very high20 Ų2035 Ų358%0.07516%0.16CC..Hα-helixtrans-61.8-39.2172.8-76.7177.9167.3174-3.3112.1F61 I333 S334 R341 E559 D562 E566F61-R337 HydrophobicContact CE1-CG 4.15Å; F61-R337 HydrophobicContact CZ-CG 4.28Å; I333-R337 HydrophobicContact CG2-CG 4.31Å; I333-R337 WeakPolarHBondContact O-CB 3.41Å; I333-R337 WeakPolarHBondContact O-CG 3.36Å; I333-R337 PolarHBondContact O-N 3.42Å; S334-R337 PolarHBondContact O-N 2.91Å; R337-R341 PolarHBondContact O-N 2.84Å; R337-R341 VanDerWaalsContact O-N 3.17Å; R337-E559 PolarHBondContact NH2-O 3.29Å; R337-D562 PolarHBondContact NH1-O 2.95Å; R337-E566 WeakPolarHBondContact CD-OE2 3.43Å; R337-E566 IonicContact CZ-OE2 3.93Å; R337-E566 IonicContact NE-OE2 3.64Å; R337-E566 IonicContact NH1-OE2 3.14Å; R337-E566 PolarHBondContact NH1-OE2 3.07Å
338Y91Very high91.3Very high12 Ų1237 Ų375%0.04717%0.172CC..Hα-helixtrans-64.9-50.5176.2-164.5-79.9000111.4Y99 L280 G281 I284 M318 S334 T335 L336 N340 R341 A342Y99-Y338 HydrophobicContact CD1-CD1 4.23Å; Y99-Y338 HydrophobicContact CD2-CE1 4.22Å; Y99-Y338 AromaticContact CE1-CD1 3.86Å; Y99-Y338 HydrophobicContact CE1-CD1 3.86Å; Y99-Y338 HydrophobicContact CE1-CD2 4.43Å; Y99-Y338 HydrophobicContact CE1-CE1 4.35Å; Y99-Y338 AromaticContact CE1-CG 3.89Å; Y99-Y338 HydrophobicContact CE1-CG 3.89Å; Y99-Y338 HydrophobicContact CE2-CD1 4.23Å; Y99-Y338 AromaticContact CE2-CE1 3.9Å; Y99-Y338 HydrophobicContact CE2-CE1 3.9Å; Y99-Y338 HydrophobicContact CE2-CE2 4.26Å; Y99-Y338 AromaticContact CE2-CZ 3.91Å; Y99-Y338 AromaticContact CZ-CD1 3.85Å; Y99-Y338 AromaticContact CZ-CD2 3.91Å; Y99-Y338 AromaticContact CZ-CE1 3.97Å; Y99-Y338 AromaticContact CZ-CG 3.8Å; Y99-Y338 WeakPolarHBondContact OH-CD2 3.46Å; L280-Y338 VanDerWaalsContact CB-OH 3.25Å; L280-Y338 WeakPolarHBondContact CB-OH 3.36Å; L280-Y338 VanDerWaalsContact CD2-OH 3.32Å; L280-Y338 WeakPolarHBondContact CD2-OH 3.47Å; L280-Y338 WeakPolarHBondContact CG-OH 3.32Å; G281-Y338 VanDerWaalsContact CA-CE2 3.44Å; G281-Y338 PolarHBondContact N-OH 2.88Å; I284-Y338 HydrophobicContact CD1-CD1 4.2Å; I284-Y338 HydrophobicContact CD1-CE1 3.38Å; M318-Y338 HydrophobicContact CE-CD1 3.72Å; M318-Y338 HydrophobicContact CE-CE1 4.23Å; M318-Y338 HydrophobicContact SD-CD1 4.41Å; S334-Y338 VanDerWaalsContact O-CB 3.31Å; S334-Y338 WeakPolarHBondContact O-CB 3.36Å; S334-Y338 PolarHBondContact O-N 3.04Å; T335-Y338 WeakPolarHBondContact O-CB 3.27Å; T335-Y338 PolarHBondContact O-N 2.87Å; L336-Y338 VanDerWaalsContact C-N 3.32Å; L336-Y338 PolarHBondContact O-N 3.29Å; Y338-N340 VanDerWaalsContact C-N 3.34Å; Y338-N340 PolarHBondContact O-N 2.99Å; Y338-R341 PolarHBondContact O-N 3.01Å; Y338-A342 PolarHBondContact O-N 3.1Å
339A94.8Very high91.3Very high0 Ų037.3 Ų37.30%018%0.176CC..Hα-helixtrans-59-42.5176.300000112.2V17 F63 M318 A320 T335 L336 R341 A342 K343V17-A339 HydrophobicContact CG1-CB 3.7Å; F63-A339 HydrophobicContact CE1-CB 3.73Å; F63-A339 HydrophobicContact CZ-CB 4.27Å; M318-A339 HydrophobicContact CE-CB 3.98Å; M318-A339 HydrophobicContact SD-CB 4.3Å; A320-A339 HydrophobicContact CB-CB 3.85Å; T335-A339 WeakPolarHBondContact O-CB 3.35Å; T335-A339 PolarHBondContact O-N 2.94Å; L336-A339 PolarHBondContact O-N 3.4Å; A339-R341 VanDerWaalsContact C-N 3.32Å; A339-R341 PolarHBondContact O-N 2.71Å; A339-A342 WeakPolarHBondContact O-CB 3.38Å; A339-A342 PolarHBondContact O-N 3.18Å; A339-A342 VanDerWaalsContact O-N 3.17Å; A339-K343 PolarHBondContact O-N 3.05Å; A339-K343 VanDerWaalsContact O-N 3.13Å
340N92.7Very high91.3Very high65 Ų6544.5 Ų44.535%0.34820%0.203SC..Hα-helixtrans-66.7-31.8179.4-170.663.5000112.7F61 F63 L336 Y338 N344F61-N340 HydrophobicContact CD1-CB 4.33Å; F63-N340 HydrophobicContact CE1-CB 4.2Å; F63-N340 HydrophobicContact CZ-CB 4.5Å; L336-N340 VanDerWaalsContact O-CB 3.26Å; L336-N340 WeakPolarHBondContact O-CB 3.33Å; L336-N340 PolarHBondContact O-N 3.48Å; Y338-N340 VanDerWaalsContact C-N 3.34Å; Y338-N340 PolarHBondContact O-N 2.99Å; N340-N344 PolarHBondContact O-ND2 3.15Å
341R91Very high91.3Very high89 Ų8943.7 Ų43.734%0.33620%0.198SC..Hα-helixtrans-67.2-50.7167.9-75.6-176.9-74.7-178.5-10.1110.8I284 S285 V288 R337 Y338 A339 K343 N344I284-R341 HydrophobicContact CG2-CB 3.81Å; S285-R341 PolarHBondContact OG-NH1 2.98Å; V288-R341 VanDerWaalsContact CG2-O 3.29Å; V288-R341 WeakPolarHBondContact CG2-O 3.25Å; R337-R341 PolarHBondContact O-N 2.84Å; R337-R341 VanDerWaalsContact O-N 3.17Å; Y338-R341 PolarHBondContact O-N 3.01Å; A339-R341 VanDerWaalsContact C-N 3.32Å; A339-R341 PolarHBondContact O-N 2.71Å; R341-K343 PolarHBondContact O-N 3.14Å; R341-K343 VanDerWaalsContact O-N 3.11Å; R341-N344 PolarHBondContact O-N 3.33Å
342A92.9Very high91.2Very high0 Ų045 Ų450%021%0.205CC..Hα-helixtrans-52.8-37-176.500000113.6V17 I284 M318 Y338 A339 N344 I345V17-A342 HydrophobicContact CG2-CB 4.09Å; I284-A342 HydrophobicContact CD1-CB 4.11Å; I284-A342 HydrophobicContact CG2-CB 4.47Å; M318-A342 HydrophobicContact SD-CB 3.64Å; Y338-A342 PolarHBondContact O-N 3.1Å; A339-A342 WeakPolarHBondContact O-CB 3.38Å; A339-A342 PolarHBondContact O-N 3.18Å; A339-A342 VanDerWaalsContact O-N 3.17Å; A342-N344 PolarHBondContact O-N 2.74Å; A342-I345 HydrophobicContact CB-CD1 4.38Å; A342-I345 WeakPolarHBondContact O-CB 3.49Å; A342-I345 VanDerWaalsContact O-CG1 3.29Å; A342-I345 WeakPolarHBondContact O-CG1 3.16Å; A342-I345 PolarHBondContact O-N 3.42Å
343K92.4Very high90.7Very high47 Ų4746.6 Ų46.620%0.20421%0.212CC..THydrogen-bonded Turntrans-54.3-26.5177.4-164.8-175.4-170.7-178.10114.6V17 T62 D64 A339 R341V17-K343 HydrophobicContact CB-CB 4.22Å; V17-K343 HydrophobicContact CB-CG 4.44Å; V17-K343 HydrophobicContact CG2-CB 3.78Å; V17-K343 HydrophobicContact CG2-CG 4.35Å; T62-K343 PolarHBondContact O-NZ 3.31Å; D64-K343 WeakPolarHBondContact OD1-CE 3.4Å; D64-K343 IonicContact OD1-NZ 2.7Å; A339-K343 PolarHBondContact O-N 3.05Å; A339-K343 VanDerWaalsContact O-N 3.13Å; R341-K343 PolarHBondContact O-N 3.14Å; R341-K343 VanDerWaalsContact O-N 3.11Å
344N90.6Very high89.9Confident86 Ų8649.8 Ų49.846%0.4623%0.23SC..THydrogen-bonded Turntrans-92.9-1-176.9-61.3-68.8000113.4V288 N340 R341 A342 K346V288-N344 HydrophobicContact CG1-CB 3.83Å; V288-N344 HydrophobicContact CG2-CB 4.01Å; N340-N344 PolarHBondContact O-ND2 3.15Å; R341-N344 PolarHBondContact O-N 3.33Å; A342-N344 PolarHBondContact O-N 2.74Å; N344-K346 PolarHBondContact O-N 2.89Å
345I91.8Very high88.8Confident1 Ų153.8 Ų53.81%0.00526%0.255CS..PPolyproline II helixtrans-70.9128.2173.2-58.7167.6000108.6N14 V15 I284 L287 V288 L310 A342N14-I345 CarbonylContact C-O 3.57Å; N14-I345 VanDerWaalsContact CA-O 3.23Å; N14-I345 WeakPolarHBondContact CA-O 3.44Å; V15-I345 HydrophobicContact CB-CB 4.26Å; V15-I345 HydrophobicContact CG2-CB 3.73Å; V15-I345 HydrophobicContact CG2-CD1 4.36Å; V15-I345 HydrophobicContact CG2-CG2 3.8Å; V15-I345 PolarHBondContact N-O 3.23Å; I284-I345 HydrophobicContact CB-CD1 4.19Å; I284-I345 HydrophobicContact CD1-CD1 4.29Å; I284-I345 HydrophobicContact CG1-CD1 3.73Å; I284-I345 HydrophobicContact CG2-CD1 4Å; I284-I345 HydrophobicContact CG2-CG1 4.44Å; L287-I345 HydrophobicContact CB-CG1 4.29Å; L287-I345 HydrophobicContact CD1-CD1 4.41Å; L287-I345 HydrophobicContact CD1-CG1 4.46Å; L287-I345 HydrophobicContact CD1-CG2 4Å; V288-I345 HydrophobicContact CG2-CG1 3.89Å; L310-I345 HydrophobicContact CD2-CD1 4.03Å; A342-I345 HydrophobicContact CB-CD1 4.38Å; A342-I345 WeakPolarHBondContact O-CB 3.49Å; A342-I345 VanDerWaalsContact O-CG1 3.29Å; A342-I345 WeakPolarHBondContact O-CG1 3.16Å; A342-I345 PolarHBondContact O-N 3.42Å
346K90.6Very high87.2Confident149 Ų14961 Ų6165%0.64829%0.286SS*.BIsolated β-bridgetrans-99.4116.3176.4-52.3-167.6176.2-173.90109.8N14 N344N14-K346 WeakPolarHBondContact OD1-CG 3.2Å; N344-K346 PolarHBondContact O-N 2.89Å
347N90.8Very high85.9Confident8 Ų862 Ų624%0.04329%0.292CS..PPolyproline II helixtrans-92.5167.7170.6-67.45.7000110.2D13 S309 G311 S314 T316D13-N347 WeakPolarHBondContact O-CA 3.39Å; D13-N347 VanDerWaalsContact O-CB 3.32Å; D13-N347 WeakPolarHBondContact O-CB 3.2Å; D13-N347 PolarHBondContact O-N 3.18Å; S309-N347 PolarHBondContact O-ND2 2.84Å; G311-N347 WeakPolarHBondContact CA-OD1 3.49Å; G311-N347 PolarHBondContact N-OD1 3.43Å; S314-N347 WeakPolarHBondContact O-CB 3.48Å; S314-N347 PolarHBondContact O-ND2 2.9Å; T316-N347 PolarHBondContact OG1-ND2 3.02Å
348K88.1Confident84.6Confident177 Ų17762.8 Ų62.877%0.7730%0.302SS*.  trans-129.873.2176.2-66.3-174.5178.9-174.80109G312G312-K348 PolarHBondContact O-N 2.97Å
349A89.4Confident83.5Confident18 Ų1866.3 Ų66.315%0.14932%0.321CS..  trans-72.7136.2-177.500000111.2Y92 K315Y92-A349 HydrophobicContact CD1-CB 3.94Å; Y92-A349 HydrophobicContact CE1-CB 4.28Å; K315-A349 HydrophobicContact CG-CB 3.56Å
350R88.8Confident82.1Confident169 Ų16969.6 Ų69.664%0.63834%0.339SS*.  trans-133.5156.3172.558172.3-173.2-146.82.6109.7Y92 N313Y92-R350 WeakPolarHBondContact CD1-O 3.42Å; N313-R350 PolarHBondContact ND2-NE 2.85Å; N313-R350 VanDerWaalsContact OD1-CG 3.29Å; N313-R350 WeakPolarHBondContact OD1-CG 3.33Å; N313-R350 PolarHBondContact OD1-N 2.94Å; N313-R350 PolarHBondContact OD1-O 3.37Å
351I89Confident81Confident39 Ų3970.2 Ų70.220%0.234%0.336CS..BIsolated β-bridgetrans-67.4135.9168.2-59.5174.4000107.4Y92 R242 E353Y92-I351 HydrophobicContact CD1-CG1 4.33Å; Y92-I351 HydrophobicContact CD2-CG1 3.9Å; Y92-I351 HydrophobicContact CE1-CG1 3.99Å; Y92-I351 HydrophobicContact CE2-CD1 4.03Å; Y92-I351 HydrophobicContact CE2-CG1 3.5Å; Y92-I351 HydrophobicContact CG-CG1 4.29Å; R242-I351 HydrophobicContact CG-CG2 4.37Å; I351-E353 HydrophobicContact CG2-CB 4.36Å; I351-E353 HydrophobicContact CG2-CG 4.29Å
352N86.7Confident80Confident30 Ų3072 Ų7216%0.1635%0.348CS..  trans-93.3106.5173.2-41.6-74.3000108.9G91 N93 R242 M243 N313G91-N352 PolarHBondContact O-N 3.24Å; G91-N352 PolarHBondContact O-ND2 3.24Å; N93-N352 PolarHBondContact OD1-ND2 2.89Å; R242-N352 CarbonylContact C-O 3.53Å; R242-N352 WeakPolarHBondContact CA-O 3.09Å; M243-N352 PolarHBondContact N-O 2.91Å; M243-N352 WeakPolarHBondContact O-CB 3.44Å; M243-N352 PolarHBondContact O-ND2 3.07Å; N313-N352 PolarHBondContact ND2-OD1 2.86Å
353E82.8Confident78.9Confident38 Ų3877 Ų7718%0.17837%0.37CS..BIsolated β-bridgetrans-148173.3-179.364.5-162.215700110.1R242 I351 A358 R361R242-E353 HydrophobicContact CG-CB 4.15Å; I351-E353 HydrophobicContact CG2-CB 4.36Å; I351-E353 HydrophobicContact CG2-CG 4.29Å; E353-A358 HydrophobicContact CG-CB 3.85Å; E353-A358 WeakPolarHBondContact OE1-CA 3.33Å; E353-R361 IonicContact OE1-CZ 3.82Å; E353-R361 IonicContact OE1-NH1 3.78Å; E353-R361 PolarHBondContact OE1-NH1 3.46Å; E353-R361 IonicContact OE1-NH2 3.17Å; E353-R361 IonicContact OE2-CZ 3.28Å; E353-R361 IonicContact OE2-NH1 3.13Å; E353-R361 PolarHBondContact OE2-NH1 3.45Å; E353-R361 IonicContact OE2-NH2 2.66Å; E353-R361 PolarHBondContact OE2-NH2 2.81Å
354D74.3Confident77.7Confident74 Ų7478.9 Ų78.940%0.39638%0.38SS..  trans-60.4134.7175.4-169.3-61.6000109.7K356 D357 A358D354-K356 PolarHBondContact O-N 3.42Å; D354-K356 WeakPolarHBondContact OD1-CB 3.41Å; D354-K356 WeakPolarHBondContact OD1-CG 3.42Å; D354-K356 PolarHBondContact OD1-N 2.88Å; D354-D357 HydrophobicContact CB-CB 4.33Å; D354-D357 WeakPolarHBondContact O-CB 3.44Å; D354-D357 PolarHBondContact O-N 3Å; D354-A358 PolarHBondContact O-N 2.79Å
355P66.3Low76.8Confident106 Ų10681 Ų8169%0.68839%0.385SS*.Hα-helixtrans-51.7-26.8176.7-29.636000115.1L359P355-L359 WeakPolarHBondContact O-CB 3.38Å; P355-L359 PolarHBondContact O-N 3.35Å
356K62Low75.7Confident153 Ų15386.1 Ų86.167%0.66541%0.409SS*.Hα-helixtrans-70.6-43.8173.5-63.5171.4-175.6169.30112D354 L359 L360D354-K356 PolarHBondContact O-N 3.42Å; D354-K356 WeakPolarHBondContact OD1-CB 3.41Å; D354-K356 WeakPolarHBondContact OD1-CG 3.42Å; D354-K356 PolarHBondContact OD1-N 2.88Å; K356-L359 PolarHBondContact O-N 3.32Å; K356-L360 WeakPolarHBondContact O-CB 3.42Å; K356-L360 WeakPolarHBondContact O-CG 3.39Å; K356-L360 PolarHBondContact O-N 2.84Å
357D66.4Low74.8Confident22 Ų2283.4 Ų83.412%0.11840%0.4CS..Hα-helixtrans-67.9-40.3-179.5-65-10000110.8H240 D354 L359 L360 R361H240-D357 WeakPolarHBondContact CA-OD2 3.17Å; H240-D357 WeakPolarHBondContact CB-OD2 3.26Å; H240-D357 IonicContact CE1-OD1 3.9Å; H240-D357 PolarHBondContact CE1-OD1 2.89Å; H240-D357 IonicContact CG-OD2 3.71Å; H240-D357 IonicContact ND1-OD1 3.26Å; H240-D357 PolarHBondContact ND1-OD1 3.14Å; H240-D357 IonicContact ND1-OD2 3.54Å; H240-D357 PolarHBondContact ND1-OD2 3.35Å; H240-D357 VanDerWaalsContact ND1-OD2 3.14Å; D354-D357 HydrophobicContact CB-CB 4.33Å; D354-D357 WeakPolarHBondContact O-CB 3.44Å; D354-D357 PolarHBondContact O-N 3Å; D357-L359 VanDerWaalsContact C-N 3.35Å; D357-L359 PolarHBondContact O-N 3Å; D357-L360 PolarHBondContact O-N 2.88Å; D357-R361 PolarHBondContact O-N 2.9Å
358A65.2Low73.9Confident36 Ų3689.6 Ų89.630%0.29843%0.429SS..Hα-helixtrans-58.7-45.2173.200000111.9E353 D354 R361 Q362E353-A358 HydrophobicContact CG-CB 3.85Å; E353-A358 WeakPolarHBondContact OE1-CA 3.33Å; D354-A358 PolarHBondContact O-N 2.79Å; A358-R361 PolarHBondContact O-N 2.82Å; A358-Q362 WeakPolarHBondContact O-CB 3.42Å; A358-Q362 PolarHBondContact O-N 3.3Å
359L66.8Low73.2Confident85 Ų8584.4 Ų84.445%0.44541%0.408SS..Hα-helixtrans-68.7-40.4178.7-172.365.7000111.7P355 K356 D357 Q362 F363P355-L359 WeakPolarHBondContact O-CB 3.38Å; P355-L359 PolarHBondContact O-N 3.35Å; K356-L359 PolarHBondContact O-N 3.32Å; D357-L359 VanDerWaalsContact C-N 3.35Å; D357-L359 PolarHBondContact O-N 3Å; L359-Q362 PolarHBondContact O-N 2.94Å; L359-F363 HydrophobicContact CD1-CD2 4.45Å; L359-F363 HydrophobicContact CD1-CE1 4.27Å; L359-F363 HydrophobicContact CD1-CE2 3.82Å; L359-F363 HydrophobicContact CD1-CZ 3.71Å; L359-F363 HydrophobicContact CD2-CE2 3.88Å; L359-F363 HydrophobicContact CD2-CZ 4.31Å; L359-F363 HydrophobicContact CG-CD2 4.03Å; L359-F363 HydrophobicContact CG-CE2 3.51Å; L359-F363 HydrophobicContact CG-CZ 3.95Å; L359-F363 WeakPolarHBondContact O-CD2 3.32Å; L359-F363 WeakPolarHBondContact O-CG 3.33Å; L359-F363 PolarHBondContact O-N 3.47Å
360L65.4Low72.3Confident70 Ų7087.8 Ų87.837%0.36642%0.423SS..Hα-helixtrans-59.5-46.5173.5-78.7166.6000111.7K356 D357 F363 Q364K356-L360 WeakPolarHBondContact O-CB 3.42Å; K356-L360 WeakPolarHBondContact O-CG 3.39Å; K356-L360 PolarHBondContact O-N 2.84Å; D357-L360 PolarHBondContact O-N 2.88Å; L360-F363 PolarHBondContact O-N 3.07Å; L360-Q364 WeakPolarHBondContact O-CB 3.35Å; L360-Q364 VanDerWaalsContact O-CG 3.32Å; L360-Q364 WeakPolarHBondContact O-CG 3.47Å; L360-Q364 PolarHBondContact O-N 3.05Å
361R69.2Low71.3Confident77 Ų7786 Ų8629%0.29142%0.419SS..Hα-helixtrans-65.5-39176.7-169-179.4-59.4120.919.1112E353 D357 A358 F363 Q364 K365E353-R361 IonicContact OE1-CZ 3.82Å; E353-R361 IonicContact OE1-NH1 3.78Å; E353-R361 PolarHBondContact OE1-NH1 3.46Å; E353-R361 IonicContact OE1-NH2 3.17Å; E353-R361 IonicContact OE2-CZ 3.28Å; E353-R361 IonicContact OE2-NH1 3.13Å; E353-R361 PolarHBondContact OE2-NH1 3.45Å; E353-R361 IonicContact OE2-NH2 2.66Å; E353-R361 PolarHBondContact OE2-NH2 2.81Å; D357-R361 PolarHBondContact O-N 2.9Å; A358-R361 PolarHBondContact O-N 2.82Å; R361-F363 VanDerWaalsContact C-N 3.35Å; R361-F363 PolarHBondContact O-N 3.07Å; R361-Q364 PolarHBondContact O-N 2.85Å; R361-K365 WeakPolarHBondContact O-CB 3.37Å; R361-K365 PolarHBondContact O-N 2.91Å
362Q71.3Confident70.7Confident127 Ų12789.8 Ų89.859%0.59344%0.435SS*.Hα-helixtrans-60.9-45.2176.2-172.6173.2-0.900111.1A358 L359 K365 E366A358-Q362 WeakPolarHBondContact O-CB 3.42Å; A358-Q362 PolarHBondContact O-N 3.3Å; L359-Q362 PolarHBondContact O-N 2.94Å; Q362-K365 PolarHBondContact O-N 3.19Å; Q362-E366 WeakPolarHBondContact O-CB 3.29Å; Q362-E366 PolarHBondContact O-N 2.93Å
363F69.6Low69.9Low104 Ų10493.6 Ų93.646%0.45645%0.45SS..Hα-helixtrans-67.2-39.3174.5-67.3-36.3000113.2L359 L360 R361 K365 E366 I367L359-F363 HydrophobicContact CD1-CD2 4.45Å; L359-F363 HydrophobicContact CD1-CE1 4.27Å; L359-F363 HydrophobicContact CD1-CE2 3.82Å; L359-F363 HydrophobicContact CD1-CZ 3.71Å; L359-F363 HydrophobicContact CD2-CE2 3.88Å; L359-F363 HydrophobicContact CD2-CZ 4.31Å; L359-F363 HydrophobicContact CG-CD2 4.03Å; L359-F363 HydrophobicContact CG-CE2 3.51Å; L359-F363 HydrophobicContact CG-CZ 3.95Å; L359-F363 WeakPolarHBondContact O-CD2 3.32Å; L359-F363 WeakPolarHBondContact O-CG 3.33Å; L359-F363 PolarHBondContact O-N 3.47Å; L360-F363 PolarHBondContact O-N 3.07Å; R361-F363 VanDerWaalsContact C-N 3.35Å; R361-F363 PolarHBondContact O-N 3.07Å; F363-K365 PolarHBondContact O-N 2.96Å; F363-E366 PolarHBondContact O-N 3.48Å; F363-I367 WeakPolarHBondContact O-CB 3.4Å; F363-I367 WeakPolarHBondContact O-CD1 3.49Å; F363-I367 WeakPolarHBondContact O-CG1 3.31Å; F363-I367 PolarHBondContact O-N 2.91Å
364Q67.3Low69.2Low88 Ų8897 Ų9741%0.41147%0.469SS..Hα-helixtrans-60.2-45.5174.7-76.9171.3-4.300111.4L360 R361 I367 E368L360-Q364 WeakPolarHBondContact O-CB 3.35Å; L360-Q364 VanDerWaalsContact O-CG 3.32Å; L360-Q364 WeakPolarHBondContact O-CG 3.47Å; L360-Q364 PolarHBondContact O-N 3.05Å; R361-Q364 PolarHBondContact O-N 2.85Å; Q364-I367 PolarHBondContact O-N 3.22Å; Q364-E368 WeakPolarHBondContact O-CB 3.4Å; Q364-E368 PolarHBondContact O-N 2.79Å
365K71.1Confident68.9Low130 Ų13099.6 Ų99.657%0.56548%0.478SS*.Hα-helixtrans-66.2-36.8176.6-174.5174.4-178.4174.80112.4R361 Q362 F363 E368 E369R361-K365 WeakPolarHBondContact O-CB 3.37Å; R361-K365 PolarHBondContact O-N 2.91Å; Q362-K365 PolarHBondContact O-N 3.19Å; F363-K365 PolarHBondContact O-N 2.96Å; K365-E368 PolarHBondContact O-N 2.86Å; K365-E369 WeakPolarHBondContact O-CB 3.45Å; K365-E369 PolarHBondContact O-N 2.83Å
366E69.9Low69Low109 Ų10999.5 Ų99.551%0.50947%0.468SS..Hα-helixtrans-67.7-40.7174-172.4167.6-161.800111.5Q362 F363 E369 L370Q362-E366 WeakPolarHBondContact O-CB 3.29Å; Q362-E366 PolarHBondContact O-N 2.93Å; F363-E366 PolarHBondContact O-N 3.48Å; E366-E369 PolarHBondContact O-N 3.49Å; E366-L370 HydrophobicContact CG-CD1 4.04Å; E366-L370 VanDerWaalsContact O-CB 3.27Å; E366-L370 WeakPolarHBondContact O-CB 3.29Å; E366-L370 WeakPolarHBondContact O-CD1 3.41Å; E366-L370 WeakPolarHBondContact O-CG 3.44Å; E366-L370 PolarHBondContact O-N 3.33Å
367I70.8Confident68.6Low91 Ų9193.8 Ų93.847%0.46745%0.453SS..Hα-helixtrans-61.6-43.1172.3-71.2162.8000110.9F363 Q364 L370 K371F363-I367 WeakPolarHBondContact O-CB 3.4Å; F363-I367 WeakPolarHBondContact O-CD1 3.49Å; F363-I367 WeakPolarHBondContact O-CG1 3.31Å; F363-I367 PolarHBondContact O-N 2.91Å; Q364-I367 PolarHBondContact O-N 3.22Å; I367-L370 PolarHBondContact O-N 3.5Å; I367-K371 HydrophobicContact CG2-CD 4.22Å; I367-K371 HydrophobicContact CG2-CG 4.41Å; I367-K371 WeakPolarHBondContact O-CB 3.49Å; I367-K371 VanDerWaalsContact O-CG 3.32Å; I367-K371 WeakPolarHBondContact O-CG 3.29Å; I367-K371 PolarHBondContact O-N 2.97Å
368E71.6Confident67.8Low139 Ų13998.7 Ų98.765%0.6548%0.475SS*.Hα-helixtrans-66.4-45.6177.3-171.9179.6-160.100111.6Q364 K365 L370 K371 K372Q364-E368 WeakPolarHBondContact O-CB 3.4Å; Q364-E368 PolarHBondContact O-N 2.79Å; K365-E368 PolarHBondContact O-N 2.86Å; E368-L370 VanDerWaalsContact C-N 3.26Å; E368-L370 PolarHBondContact O-N 2.84Å; E368-K371 PolarHBondContact O-N 3.35Å; E368-K372 WeakPolarHBondContact O-CB 3.48Å; E368-K372 PolarHBondContact O-N 2.8Å
369E73.4Confident66.9Low68 Ų68105.4 Ų105.432%0.31850%0.5SS..Hα-helixtrans-62.9-30.6172.9-85.5-150.3-171.900112.9K8 K365 E366 K373K8-E369 IonicContact NZ-OE1 3.69Å; K8-E369 PolarHBondContact NZ-OE1 3.08Å; K365-E369 WeakPolarHBondContact O-CB 3.45Å; K365-E369 PolarHBondContact O-N 2.83Å; E366-E369 PolarHBondContact O-N 3.49Å; E369-K373 WeakPolarHBondContact O-CB 3.17Å; E369-K373 WeakPolarHBondContact O-CD 3.47Å; E369-K373 WeakPolarHBondContact O-CE 3.34Å; E369-K373 WeakPolarHBondContact O-CG 3.46Å; E369-K373 PolarHBondContact O-N 2.79Å; E369-K373 IonicContact OE2-NZ 3.11Å; E369-K373 PolarHBondContact OE2-NZ 2.85Å
370L70.3Confident66Low89 Ų89108.5 Ų108.547%0.46652%0.516SS..Hα-helixtrans-77.5-42.1175.5-75.6168.3000111.7E366 I367 E368 K373 L374E366-L370 HydrophobicContact CG-CD1 4.04Å; E366-L370 VanDerWaalsContact O-CB 3.27Å; E366-L370 WeakPolarHBondContact O-CB 3.29Å; E366-L370 WeakPolarHBondContact O-CD1 3.41Å; E366-L370 WeakPolarHBondContact O-CG 3.44Å; E366-L370 PolarHBondContact O-N 3.33Å; I367-L370 PolarHBondContact O-N 3.5Å; E368-L370 VanDerWaalsContact C-N 3.26Å; E368-L370 PolarHBondContact O-N 2.84Å; L370-K373 PolarHBondContact O-N 2.86Å; L370-L374 WeakPolarHBondContact O-CG 3.13Å; L370-L374 PolarHBondContact O-N 3.05Å
371K69Low65.1Low130 Ų130109.6 Ų109.657%0.56553%0.529SS*.Hα-helixtrans-58.4-47.7172.3-79.5-179.8175.1-170.10111.1I367 E368 K373 L374 E375I367-K371 HydrophobicContact CG2-CD 4.22Å; I367-K371 HydrophobicContact CG2-CG 4.41Å; I367-K371 WeakPolarHBondContact O-CB 3.49Å; I367-K371 VanDerWaalsContact O-CG 3.32Å; I367-K371 WeakPolarHBondContact O-CG 3.29Å; I367-K371 PolarHBondContact O-N 2.97Å; E368-K371 PolarHBondContact O-N 3.35Å; K371-K373 VanDerWaalsContact C-N 3.32Å; K371-K373 PolarHBondContact O-N 2.85Å; K371-L374 CarbonylContact O-C 3.54Å; K371-L374 WeakPolarHBondContact O-CA 3.45Å; K371-L374 WeakPolarHBondContact O-CB 3.24Å; K371-L374 PolarHBondContact O-N 2.81Å; K371-E375 PolarHBondContact O-N 3.38Å
372K74.6Confident63.7Low120 Ų120109.4 Ų109.452%0.52255%0.552SS.*Hα-helixtrans-60.2-39.8176.1179.9164.7177.41610112.6E368 L374 E375 E376E368-K372 WeakPolarHBondContact O-CB 3.48Å; E368-K372 PolarHBondContact O-N 2.8Å; K372-L374 VanDerWaalsContact C-N 3.27Å; K372-L374 PolarHBondContact O-N 2.96Å; K372-E375 PolarHBondContact O-N 2.98Å; K372-E376 WeakPolarHBondContact CE-OE1 3.46Å; K372-E376 HydrophobicContact CG-CG 4.37Å; K372-E376 IonicContact NZ-OE1 2.67Å; K372-E376 VanDerWaalsContact O-CB 3.3Å; K372-E376 WeakPolarHBondContact O-CB 3.29Å; K372-E376 VanDerWaalsContact O-CG 3.25Å; K372-E376 WeakPolarHBondContact O-CG 3.41Å; K372-E376 PolarHBondContact O-N 3.32Å
373K71.4Confident62.1Low110 Ų110108.5 Ų108.548%0.47856%0.56SS.*Hα-helixtrans-69.1-22.6173.6-72.4162.7-164.2141.80113.4E369 L370 K371 G377E369-K373 WeakPolarHBondContact O-CB 3.17Å; E369-K373 WeakPolarHBondContact O-CD 3.47Å; E369-K373 WeakPolarHBondContact O-CE 3.34Å; E369-K373 WeakPolarHBondContact O-CG 3.46Å; E369-K373 PolarHBondContact O-N 2.79Å; E369-K373 IonicContact OE2-NZ 3.11Å; E369-K373 PolarHBondContact OE2-NZ 2.85Å; L370-K373 PolarHBondContact O-N 2.86Å; K371-K373 VanDerWaalsContact C-N 3.32Å; K371-K373 PolarHBondContact O-N 2.85Å; K373-G377 PolarHBondContact O-N 3.29Å
374L68.4Low60.5Low110 Ų110113.2 Ų113.258%0.57658%0.583SS**Hα-helixtrans-79.3-45.4172.1-72.1166.2000110.5L370 K371 K372 G377 E378L370-L374 WeakPolarHBondContact O-CG 3.13Å; L370-L374 PolarHBondContact O-N 3.05Å; K371-L374 CarbonylContact O-C 3.54Å; K371-L374 WeakPolarHBondContact O-CA 3.45Å; K371-L374 WeakPolarHBondContact O-CB 3.24Å; K371-L374 PolarHBondContact O-N 2.81Å; K372-L374 VanDerWaalsContact C-N 3.27Å; K372-L374 PolarHBondContact O-N 2.96Å; L374-G377 CarbonylContact O-C 3.59Å; L374-G377 WeakPolarHBondContact O-CA 2.89Å; L374-G377 PolarHBondContact O-N 3.33Å; L374-E378 WeakPolarHBondContact O-CB 3.37Å; L374-E378 WeakPolarHBondContact O-CG 3.34Å; L374-E378 PolarHBondContact O-N 3.27Å
375E67.9Low58.9Low127 Ų127112.9 Ų112.959%0.59360%0.603SS**Hα-helixtrans-58.7-48.7173.1-70171.5160.500111.5K371 K372 G377 E378 E379K371-E375 PolarHBondContact O-N 3.38Å; K372-E375 PolarHBondContact O-N 2.98Å; E375-G377 PolarHBondContact O-N 2.91Å; E375-G377 VanDerWaalsContact O-N 3.14Å; E375-E378 PolarHBondContact O-N 2.86Å; E375-E379 PolarHBondContact O-N 2.99Å; E375-E379 VanDerWaalsContact O-N 3.1Å
376E67.8Low57.1Low104 Ų104113 Ų11349%0.48662%0.62SS.*Hα-helixtrans-62.7-16.4173.4-70.5172.7176.500113.2K372K372-E376 WeakPolarHBondContact CE-OE1 3.46Å; K372-E376 HydrophobicContact CG-CG 4.37Å; K372-E376 IonicContact NZ-OE1 2.67Å; K372-E376 VanDerWaalsContact O-CB 3.3Å; K372-E376 WeakPolarHBondContact O-CB 3.29Å; K372-E376 VanDerWaalsContact O-CG 3.25Å; K372-E376 WeakPolarHBondContact O-CG 3.41Å; K372-E376 PolarHBondContact O-N 3.32Å
377G52.4Low55.3Low33 Ų33111.4 Ų111.434%0.3463%0.633SS.*Hα-helixtrans-96.5-29.2174.200000114.1K373 L374 E375 I380 S381K373-G377 PolarHBondContact O-N 3.29Å; L374-G377 CarbonylContact O-C 3.59Å; L374-G377 WeakPolarHBondContact O-CA 2.89Å; L374-G377 PolarHBondContact O-N 3.33Å; E375-G377 PolarHBondContact O-N 2.91Å; E375-G377 VanDerWaalsContact O-N 3.14Å; G377-I380 PolarHBondContact O-N 2.92Å; G377-S381 PolarHBondContact O-OG 3.39Å
378E51.3Low53.3Low125 Ų125112 Ų11258%0.58465%0.645SS**Hα-helixtrans-73.2-33.7176.1-77.5179.4173.100110.8L374 E375 I380 S381 G382L374-E378 WeakPolarHBondContact O-CB 3.37Å; L374-E378 WeakPolarHBondContact O-CG 3.34Å; L374-E378 PolarHBondContact O-N 3.27Å; E375-E378 PolarHBondContact O-N 2.86Å; E378-I380 PolarHBondContact O-N 3Å; E378-S381 PolarHBondContact O-N 3.1Å; E378-G382 PolarHBondContact O-N 3.02Å
379E46.4Very low51.4Low177 Ų177114.4 Ų114.483%0.82766%0.657SS**THydrogen-bonded Turntrans-58.4-19.9169.6-74.3-165.3152.700113.8E375E375-E379 PolarHBondContact O-N 2.99Å; E375-E379 VanDerWaalsContact O-N 3.1Å
380I48Very low49.2Very low150 Ų150119.1 Ų119.177%0.76968%0.679SS**THydrogen-bonded Turntrans-92-11177.3-63.8174.4000112.3G377 E378G377-I380 PolarHBondContact O-N 2.92Å; E378-I380 PolarHBondContact O-N 3Å
381S45.9Very low47.4Very low93 Ų93122.9 Ų122.965%0.6570%0.696SS**THydrogen-bonded Turntrans-128.9-12.8-174.554.50000116.1G377 E378 S383G377-S381 PolarHBondContact O-OG 3.39Å; E378-S381 PolarHBondContact O-N 3.1Å; S381-S383 PolarHBondContact O-N 2.74Å
382G39Very low45.5Very low74 Ų74123.9 Ų123.976%0.76371%0.707SS**  trans-81.163.7-177.200000115.7E378E378-G382 PolarHBondContact O-N 3.02Å
383S38.3Very low43.6Very low108 Ų108127 Ų12776%0.75572%0.724SS**  trans-140.161.2170179.10000113.5S381S381-S383 PolarHBondContact O-N 2.74Å
384E35.7Very low41.6Very low203 Ų203125.7 Ų125.795%0.94974%0.741SS**  trans-174.8137.2147-108.8171.8-154.800109.8
385G33Very low39.7Very low80 Ų80127.8 Ų127.883%0.82575%0.753SS**  trans13964.4171.700000117.1
386S34.2Very low37.9Very low132 Ų132128.4 Ų128.492%0.92376%0.761SS**  trans-72.4137.6166.6170.50000111.4
387G30.9Very low36.1Very low77 Ų77130.9 Ų130.979%0.79478%0.777SS**  trans-167.6121.9172.100000112.9
388S30.6Very low35Very low103 Ų103133.6 Ų133.672%0.7280%0.796SS**  trans-100.2156.7-172.847.20000113.6
389E30.3Very low34Very low190 Ų190131.3 Ų131.389%0.88881%0.807SS**  170.1166.7115.1-91173.7-169.600113.1
390E28.8Very low33.1Very low166 Ų166132.3 Ų132.378%0.77681%0.811SS**  trans-111.7-171.6-164.4-56.1178.4140.100113.7
391M31Very low32.2Very low169 Ų169130 Ų13083%0.83382%0.815SS**  trans78.9147.7157-69.2179.6-16400118.1
392D29.2Very low31.4Very low150 Ų150129.4 Ų129.480%0.80282%0.823SS**  cis-155.1173-2.9-162.89.3000111
393E34.2Very low31.1Very low186 Ų186135.8 Ų135.887%0.86983%0.833SS**  trans-81.1174.2176.2-61.2-177144.100114.7
394G29.9Very low30.6Very low82 Ų82134.3 Ų134.385%0.84584%0.835SS**  trans177.3122.9168.400000114.3
395D28.4Very low30.4Very low154 Ų154135.1 Ų135.182%0.82483%0.829SS**  trans-113.9-177.3-169.1-156.70.1000113.5
396D31.6Very low30.3Very low140 Ų140140.8 Ų140.875%0.74983%0.826SS**  trans97.8114.1149.2-82.8-36000123.6
397D29.6Very low30.2Very low156 Ų156145.1 Ų145.183%0.83482%0.822SS**  89.9155.8124.2-150.830.2000123.4
398A29.2Very low30.3Very low90 Ų90151 Ų15174%0.74483%0.825SS**  trans-114.1-178.2-158.400000114.8
399G28.9Very low30.2Very low78 Ų78158.3 Ų158.380%0.80484%0.837SS**  trans172138.1170.400000115.6
400E29.4Very low30.3Very low198 Ų198152.4 Ų152.493%0.92583%0.827SS**  trans-94155.4-166-73.7-174.8110.900118.2
401A28.3Very low30.3Very low101 Ų101155.3 Ų155.384%0.83583%0.831SS**  trans9.1155.2143.200000124.5
402G29.5Very low30.5Very low80 Ų80155.4 Ų155.483%0.82583%0.827SS**  trans159.8119.3151.500000116.7
403E32.7Very low31Very low209 Ų209158.3 Ų158.398%0.97783%0.832SS**  trans-92169.7-177.1-64.4-170.5108.600116.1
404G28.2Very low31.3Very low77 Ų77154.5 Ų154.579%0.79482%0.821SS**  trans169.8120.7152.400000116.4
405R29.6Very low32.2Very low220 Ų220154.4 Ų154.483%0.8381%0.808SS**  trans-148.7121.3-177.9-141.3-177.2-170-169.87.4115.6
406R31.3Very low33.3Very low198 Ų198151.5 Ų151.575%0.74780%0.797SS**  trans62.3164.7153-71.6167.4100.5143.82.1118.7
407R31.9Very low34.2Very low223 Ų223152.1 Ų152.184%0.84280%0.8SS**  cis-168.1147.7-39-160.3166.1176.5162.9-3.4108.8
408K33.6Very low35.3Very low200 Ų200150.4 Ų150.487%0.8779%0.786SS**  trans-52.4156.8-179.7-68174.1172.5173.90116.3
409R29.2Very low36.2Very low258 Ų258151.7 Ų151.797%0.97478%0.778SS**  trans-164.9165130.3-103.5167.494.5171.46.2111.8
410G31.5Very low37.7Very low65 Ų65153.2 Ų153.267%0.6777%0.771SS**  trans-160.4-156.7-176.200000114.6
411R30.3Very low39.1Very low227 Ų227148.9 Ų148.986%0.85775%0.751SS**  trans81.6152.2-165.2-55.2174.195.2170.56.6111.9
412K33.9Very low40.3Very low171 Ų171149.5 Ų149.574%0.74374%0.738SS**  cis-158160.112.7-136.8169-179.5-1710109.2
413K39.2Very low41.5Very low212 Ų212151.6 Ų151.692%0.92273%0.726SS**  trans-75.3155.1177.5-65.4-175.6176.4-174.90113
414V41.5Very low43.1Very low105 Ų105144.6 Ų144.664%0.63670%0.704SS**  trans-136.6159.3179-167.80000111.5K418V414-K418 HydrophobicContact CG1-CD 3.65Å; V414-K418 HydrophobicContact CG1-CG 4.04Å
415S48.6Very low44.9Very low81 Ų81145.9 Ų145.957%0.56669%0.688SS**  trans-93.2168-16646.30000116D417 K418S415-D417 PolarHBondContact O-N 3.38Å; S415-K418 PolarHBondContact O-N 3.28Å
416P50.8Low46.6Very low92 Ų92139.4 Ų139.460%0.59767%0.669SS**THydrogen-bonded Turntrans-65.7-30.3-160.7-26.436.9000118.3K418 M419P416-K418 PolarHBondContact O-N 3.35Å; P416-K418 VanDerWaalsContact O-N 3.08Å; P416-M419 WeakPolarHBondContact O-CB 3.34Å; P416-M419 WeakPolarHBondContact O-CG 3.48Å; P416-M419 PolarHBondContact O-N 2.95Å
417D51.9Low48.2Very low153 Ų153136.5 Ų136.582%0.81866%0.664SS**THydrogen-bonded Turntrans-63.6-18.7-178.3-69.3-39.9000113.3S415 M419S415-D417 PolarHBondContact O-N 3.38Å; D417-M419 VanDerWaalsContact C-N 3.25Å; D417-M419 PolarHBondContact O-N 3.17Å
418K52.2Low50.1Low120 Ų120132.8 Ų132.852%0.52266%0.656SS.*Hα-helixtrans-71.6-15.6171.1-64.3-145.9-176.8-170.20113.7V414 S415 P416 V420 M422V414-K418 HydrophobicContact CG1-CD 3.65Å; V414-K418 HydrophobicContact CG1-CG 4.04Å; S415-K418 PolarHBondContact O-N 3.28Å; P416-K418 PolarHBondContact O-N 3.35Å; P416-K418 VanDerWaalsContact O-N 3.08Å; K418-V420 PolarHBondContact O-N 2.8Å; K418-M422 WeakPolarHBondContact O-CA 2.93Å; K418-M422 WeakPolarHBondContact O-CB 3.43Å; K418-M422 PolarHBondContact O-N 2.79Å
419M48.9Very low51.7Low118 Ų118129.4 Ų129.458%0.58164%0.643SS**Hα-helixtrans-69.2-34.7-174.4-65.6-157.9-55.700113P416 D417 Q423P416-M419 WeakPolarHBondContact O-CB 3.34Å; P416-M419 WeakPolarHBondContact O-CG 3.48Å; P416-M419 PolarHBondContact O-N 2.95Å; D417-M419 VanDerWaalsContact C-N 3.25Å; D417-M419 PolarHBondContact O-N 3.17Å; M419-Q423 VanDerWaalsContact O-CB 3.32Å; M419-Q423 WeakPolarHBondContact O-CB 3.32Å; M419-Q423 WeakPolarHBondContact O-CG 3.31Å; M419-Q423 PolarHBondContact O-N 3.5Å; M419-Q423 PolarHBondContact O-OE1 2.9Å
420V59.9Low53.5Low109 Ų109124 Ų12466%0.66162%0.623SS**Hα-helixtrans-74.1-43.5177.7-177.60000111K418 M422 Q423 A424K418-V420 PolarHBondContact O-N 2.8Å; V420-M422 VanDerWaalsContact C-N 3.29Å; V420-M422 PolarHBondContact O-N 3.32Å; V420-Q423 PolarHBondContact O-N 3.38Å; V420-A424 PolarHBondContact O-N 3.32Å
421E57.8Low55.5Low108 Ų108128.2 Ų128.251%0.50562%0.623SS.*Hα-helixtrans-64.8-34.8174.4-156.8-159.8151.100111.7K425E421-K425 WeakPolarHBondContact O-CB 3.45Å; E421-K425 WeakPolarHBondContact O-CG 3.28Å; E421-K425 PolarHBondContact O-N 2.85Å; E421-K425 IonicContact OE1-NZ 3.49Å; E421-K425 PolarHBondContact OE1-NZ 3.4Å
422M54.7Low57.6Low114 Ų114120 Ų12056%0.56260%0.604SS**Hα-helixtrans-73.2-33174.2-175.7168179.100112K418 V420 K425 I426K418-M422 WeakPolarHBondContact O-CA 2.93Å; K418-M422 WeakPolarHBondContact O-CB 3.43Å; K418-M422 PolarHBondContact O-N 2.79Å; V420-M422 VanDerWaalsContact C-N 3.29Å; V420-M422 PolarHBondContact O-N 3.32Å; M422-K425 PolarHBondContact O-N 3.49Å; M422-I426 HydrophobicContact CE-CD1 4.13Å; M422-I426 HydrophobicContact CG-CD1 3.75Å; M422-I426 HydrophobicContact CG-CG1 4.29Å; M422-I426 VanDerWaalsContact O-CB 3.25Å; M422-I426 WeakPolarHBondContact O-CB 3.47Å; M422-I426 WeakPolarHBondContact O-CD1 3.48Å; M422-I426 WeakPolarHBondContact O-CG1 3.43Å; M422-I426 PolarHBondContact O-N 2.87Å
423Q54.1Low59.1Low124 Ų124116.8 Ų116.858%0.57959%0.594SS**Hα-helixtrans-68.7-42.7174-81.7163.6-24.300111.8M419 V420 I426 E427M419-Q423 VanDerWaalsContact O-CB 3.32Å; M419-Q423 WeakPolarHBondContact O-CB 3.32Å; M419-Q423 WeakPolarHBondContact O-CG 3.31Å; M419-Q423 PolarHBondContact O-N 3.5Å; M419-Q423 PolarHBondContact O-OE1 2.9Å; V420-Q423 PolarHBondContact O-N 3.38Å; Q423-I426 PolarHBondContact O-N 3.33Å; Q423-E427 PolarHBondContact O-N 2.78Å
424A67.1Low60.4Low62 Ų62111 Ų11151%0.51257%0.57SS.*Hα-helixtrans-61-44.317200000111.8V420 E427 E428V420-A424 PolarHBondContact O-N 3.32Å; A424-E427 PolarHBondContact O-N 2.58Å; A424-E428 WeakPolarHBondContact O-CB 3.4Å; A424-E428 PolarHBondContact O-N 2.86Å
425K66.1Low61.9Low104 Ų104108.6 Ų108.645%0.45256%0.561SS.*Hα-helixtrans-66.1-36.7175.2-78.5170.2174.8165.30113.3E421 M422 E427 E428 E429E421-K425 WeakPolarHBondContact O-CB 3.45Å; E421-K425 WeakPolarHBondContact O-CG 3.28Å; E421-K425 PolarHBondContact O-N 2.85Å; E421-K425 IonicContact OE1-NZ 3.49Å; E421-K425 PolarHBondContact OE1-NZ 3.4Å; M422-K425 PolarHBondContact O-N 3.49Å; K425-E427 VanDerWaalsContact C-N 3.34Å; K425-E428 PolarHBondContact O-N 3.39Å; K425-E429 WeakPolarHBondContact O-CB 3.42Å; K425-E429 VanDerWaalsContact O-CG 3.29Å; K425-E429 WeakPolarHBondContact O-CG 3.39Å; K425-E429 PolarHBondContact O-N 2.95Å
426I64.3Low63.1Low84 Ų84111.3 Ų111.343%0.43156%0.563SS.*Hα-helixtrans-66.1-37.5174.4-76.5164.3000110.8M422 Q423 R430M422-I426 HydrophobicContact CE-CD1 4.13Å; M422-I426 HydrophobicContact CG-CD1 3.75Å; M422-I426 HydrophobicContact CG-CG1 4.29Å; M422-I426 VanDerWaalsContact O-CB 3.25Å; M422-I426 WeakPolarHBondContact O-CB 3.47Å; M422-I426 WeakPolarHBondContact O-CD1 3.48Å; M422-I426 WeakPolarHBondContact O-CG1 3.43Å; M422-I426 PolarHBondContact O-N 2.87Å; Q423-I426 PolarHBondContact O-N 3.33Å; I426-R430 WeakPolarHBondContact O-CA 3.01Å; I426-R430 WeakPolarHBondContact O-CB 3.01Å; I426-R430 PolarHBondContact O-N 2.97Å
427E65.5Low64Low136 Ų136111.7 Ų111.764%0.63656%0.559SS**Hα-helixtrans-73.9-36.9178.3-168.2158.1-155.100112Q423 A424 K425 K431Q423-E427 PolarHBondContact O-N 2.78Å; A424-E427 PolarHBondContact O-N 2.58Å; K425-E427 VanDerWaalsContact C-N 3.34Å; E427-K431 WeakPolarHBondContact O-CB 3.46Å; E427-K431 PolarHBondContact O-N 3.19Å
428E70.9Confident64.9Low145 Ų145109.3 Ų109.368%0.67855%0.546SS*.Hα-helixtrans-66.9-46.2171.3-168.8173.2-153.800112.1A424 K425 R430 K431 A432A424-E428 WeakPolarHBondContact O-CB 3.4Å; A424-E428 PolarHBondContact O-N 2.86Å; K425-E428 PolarHBondContact O-N 3.39Å; E428-R430 PolarHBondContact O-N 2.89Å; E428-K431 PolarHBondContact O-N 3.03Å; E428-A432 WeakPolarHBondContact O-CB 3.07Å; E428-A432 PolarHBondContact O-N 2.81Å
429E68.1Low65.9Low130 Ų130109.9 Ų109.961%0.60755%0.553SS**Hα-helixtrans-62-40.8173-79.1-176.8159.800111.7K425 A432 L433K425-E429 WeakPolarHBondContact O-CB 3.42Å; K425-E429 VanDerWaalsContact O-CG 3.29Å; K425-E429 WeakPolarHBondContact O-CG 3.39Å; K425-E429 PolarHBondContact O-N 2.95Å; E429-A432 CarbonylContact O-C 3.6Å; E429-A432 PolarHBondContact O-N 2.95Å; E429-L433 WeakPolarHBondContact O-CB 3.23Å; E429-L433 PolarHBondContact O-N 2.76Å
430R66.7Low66.9Low144 Ų144110.4 Ų110.454%0.54355%0.554SS.*Hα-helixtrans-61.5-45.7176178.2178.2170.4-119-22.2110.7I426 E428 A432 L433 E434I426-R430 WeakPolarHBondContact O-CA 3.01Å; I426-R430 WeakPolarHBondContact O-CB 3.01Å; I426-R430 PolarHBondContact O-N 2.97Å; E428-R430 PolarHBondContact O-N 2.89Å; R430-A432 VanDerWaalsContact C-N 3.32Å; R430-A432 PolarHBondContact O-N 2.73Å; R430-L433 WeakPolarHBondContact O-CB 3.33Å; R430-L433 PolarHBondContact O-N 3.37Å; R430-E434 IonicContact CZ-OE1 3.29Å; R430-E434 IonicContact NH2-OE1 2.65Å; R430-E434 PolarHBondContact NH2-OE1 2.92Å; R430-E434 IonicContact NH2-OE2 3.05Å; R430-E434 WeakPolarHBondContact O-CB 3.37Å; R430-E434 PolarHBondContact O-N 3.4Å
431K72.5Confident67.6Low154 Ų154109.6 Ų109.667%0.6754%0.543SS*.Hα-helixtrans-67.3-33.9179-150.7172.2-169.5175.30112.1E427 E428 A435E427-K431 WeakPolarHBondContact O-CB 3.46Å; E427-K431 PolarHBondContact O-N 3.19Å; E428-K431 PolarHBondContact O-N 3.03Å; K431-A435 WeakPolarHBondContact O-CB 2.81Å; K431-A435 PolarHBondContact O-N 2.86Å
432A74Confident68.4Low55 Ų55109.8 Ų109.846%0.45554%0.544SS..Hα-helixtrans-71.8-31.4171.800000113.1E428 E429 R430 K436E428-A432 WeakPolarHBondContact O-CB 3.07Å; E428-A432 PolarHBondContact O-N 2.81Å; E429-A432 CarbonylContact O-C 3.6Å; E429-A432 PolarHBondContact O-N 2.95Å; R430-A432 VanDerWaalsContact C-N 3.32Å; R430-A432 PolarHBondContact O-N 2.73Å; A432-K436 WeakPolarHBondContact O-CB 3.19Å; A432-K436 VanDerWaalsContact O-CG 3.29Å; A432-K436 WeakPolarHBondContact O-CG 3.33Å; A432-K436 PolarHBondContact O-N 3.46Å; A432-K436 VanDerWaalsContact O-N 3.08Å
433L66.1Low69.4Low103 Ų103111.2 Ų111.254%0.53955%0.549SS..Hα-helixtrans-71.4-42.1172.2-106.1146.2000111.8E429 R430 K436 L437E429-L433 WeakPolarHBondContact O-CB 3.23Å; E429-L433 PolarHBondContact O-N 2.76Å; R430-L433 WeakPolarHBondContact O-CB 3.33Å; R430-L433 PolarHBondContact O-N 3.37Å; L433-K436 PolarHBondContact O-N 2.87Å; L433-L437 WeakPolarHBondContact O-CB 3.43Å; L433-L437 WeakPolarHBondContact O-CG 3.33Å; L433-L437 PolarHBondContact O-N 2.98Å
434E67.1Low70.2Confident90 Ų90112.3 Ų112.342%0.42155%0.548SS..Hα-helixtrans-61.8-48.7176-153.2159.7-122.200109.8R430 K436 L437 D438R430-E434 IonicContact CZ-OE1 3.29Å; R430-E434 IonicContact NH2-OE1 2.65Å; R430-E434 PolarHBondContact NH2-OE1 2.92Å; R430-E434 IonicContact NH2-OE2 3.05Å; R430-E434 WeakPolarHBondContact O-CB 3.37Å; R430-E434 PolarHBondContact O-N 3.4Å; E434-K436 VanDerWaalsContact C-N 3.31Å; E434-K436 PolarHBondContact O-N 3.38Å; E434-L437 PolarHBondContact O-N 3.21Å; E434-D438 PolarHBondContact O-N 2.92Å
435A73.1Confident70.6Confident54 Ų54113 Ų11345%0.44654%0.543SS..Hα-helixtrans-64.2-29.317400000114.2K431 M439K431-A435 WeakPolarHBondContact O-CB 2.81Å; K431-A435 PolarHBondContact O-N 2.86Å; A435-M439 WeakPolarHBondContact O-CB 3.46Å; A435-M439 WeakPolarHBondContact O-CG 3.37Å; A435-M439 PolarHBondContact O-N 2.87Å
436K72.6Confident71.3Confident138 Ų138114.1 Ų114.160%0.655%0.548SS*.Hα-helixtrans-72.8-40.7172.3-84.4179.5176.5-174.80112.2A432 L433 E434 M439 E440A432-K436 WeakPolarHBondContact O-CB 3.19Å; A432-K436 VanDerWaalsContact O-CG 3.29Å; A432-K436 WeakPolarHBondContact O-CG 3.33Å; A432-K436 PolarHBondContact O-N 3.46Å; A432-K436 VanDerWaalsContact O-N 3.08Å; L433-K436 PolarHBondContact O-N 2.87Å; E434-K436 VanDerWaalsContact C-N 3.31Å; E434-K436 PolarHBondContact O-N 3.38Å; K436-M439 PolarHBondContact O-N 2.74Å; K436-E440 WeakPolarHBondContact O-CB 3.23Å; K436-E440 WeakPolarHBondContact O-CG 3.28Å; K436-E440 PolarHBondContact O-N 2.63Å
437L70.4Confident71.9Confident100 Ų100112.6 Ų112.652%0.52455%0.547SS..Hα-helixtrans-63.3-42.3176.3-77.9162.4000111.2L433 E434 E440 E441L433-L437 WeakPolarHBondContact O-CB 3.43Å; L433-L437 WeakPolarHBondContact O-CG 3.33Å; L433-L437 PolarHBondContact O-N 2.98Å; E434-L437 PolarHBondContact O-N 3.21Å; L437-E440 PolarHBondContact O-N 3.17Å; L437-E441 WeakPolarHBondContact O-CB 3.49Å; L437-E441 PolarHBondContact O-N 3.04Å
438D71.9Confident72.5Confident103 Ų103114.8 Ų114.855%0.55155%0.55SS*.Hα-helixtrans-61.8-43.8174.9-71.1-15.5000111.7E434 E441 E442E434-D438 PolarHBondContact O-N 2.92Å; D438-E441 PolarHBondContact O-N 3.45Å; D438-E442 PolarHBondContact O-N 2.98Å
439M72.6Confident73.1Confident133 Ų133110.7 Ų110.766%0.65554%0.541SS*.Hα-helixtrans-65.3-43.4176.4-70.7-90.4-72.600112.3A435 K436 E442 E443A435-M439 WeakPolarHBondContact O-CB 3.46Å; A435-M439 WeakPolarHBondContact O-CG 3.37Å; A435-M439 PolarHBondContact O-N 2.87Å; K436-M439 PolarHBondContact O-N 2.74Å; M439-E442 PolarHBondContact O-N 3.1Å; M439-E443 PolarHBondContact O-N 3.5Å
440E70.6Confident73.8Confident129 Ų129109.4 Ų109.460%0.60354%0.535SS*.Hα-helixtrans-65.5-36.4175.2-77.7-178.8178.200111.9K436 L437 E443 R444K436-E440 WeakPolarHBondContact O-CB 3.23Å; K436-E440 WeakPolarHBondContact O-CG 3.28Å; K436-E440 PolarHBondContact O-N 2.63Å; L437-E440 PolarHBondContact O-N 3.17Å; E440-E443 PolarHBondContact O-N 2.95Å; E440-R444 VanDerWaalsContact O-CB 3.23Å; E440-R444 WeakPolarHBondContact O-CB 3.5Å; E440-R444 PolarHBondContact O-N 3.22Å
441E73.8Confident74.2Confident92 Ų92108 Ų10843%0.4354%0.537SS..Hα-helixtrans-70.4-37.4176-175.7148.9-118.800111.8L437 D438 R444 N445L437-E441 WeakPolarHBondContact O-CB 3.49Å; L437-E441 PolarHBondContact O-N 3.04Å; D438-E441 PolarHBondContact O-N 3.45Å; E441-R444 IonicContact OE1-CZ 3.93Å; E441-R444 IonicContact OE1-NH1 2.59Å; E441-R444 IonicContact OE1-NH2 3Å; E441-R444 PolarHBondContact OE1-NH2 2.98Å; E441-N445 VanDerWaalsContact O-CB 3.27Å; E441-N445 WeakPolarHBondContact O-CB 3.48Å; E441-N445 PolarHBondContact O-N 3.2Å; E441-N445 PolarHBondContact O-ND2 3.42Å; E441-N445 VanDerWaalsContact O-ND2 3.14Å
442E75.2Confident74.7Confident112 Ų112105.2 Ų105.252%0.52353%0.527SS..Hα-helixtrans-61.8-46.3169.1-87.7-151.5-174.400112.9D438 M439 N445 K446D438-E442 PolarHBondContact O-N 2.98Å; M439-E442 PolarHBondContact O-N 3.1Å; E442-N445 PolarHBondContact O-N 2.66Å; E442-K446 WeakPolarHBondContact O-CG 3.46Å; E442-K446 PolarHBondContact O-N 3.26Å; E442-K446 IonicContact OE2-NZ 2.64Å; E442-K446 PolarHBondContact OE2-NZ 2.97Å
443E75.1Confident75.3Confident144 Ų144109.1 Ų109.167%0.67353%0.534SS*.Hα-helixtrans-64.4-43.2177.4-73.7-156.7154.700111.6M439 E440 N445 K446 A447M439-E443 PolarHBondContact O-N 3.5Å; E440-E443 PolarHBondContact O-N 2.95Å; E443-N445 VanDerWaalsContact C-N 3.31Å; E443-N445 PolarHBondContact O-N 2.9Å; E443-K446 PolarHBondContact O-N 3.41Å; E443-A447 WeakPolarHBondContact O-CB 3.39Å; E443-A447 PolarHBondContact O-N 3.23Å
444R70.9Confident75.7Confident147 Ų147111.4 Ų111.456%0.55554%0.535SS*.Hα-helixtrans-60.6-39.8175.4-167.3-168.671.9-160-4.8111.7E440 E441 R448E440-R444 VanDerWaalsContact O-CB 3.23Å; E440-R444 WeakPolarHBondContact O-CB 3.5Å; E440-R444 PolarHBondContact O-N 3.22Å; E441-R444 IonicContact OE1-CZ 3.93Å; E441-R444 IonicContact OE1-NH1 2.59Å; E441-R444 IonicContact OE1-NH2 3Å; E441-R444 PolarHBondContact OE1-NH2 2.98Å; R444-R448 WeakPolarHBondContact O-CB 3.49Å; R444-R448 PolarHBondContact O-N 3.17Å
445N76.3Confident76.2Confident77 Ų77113.5 Ų113.541%0.41255%0.545SS..Hα-helixtrans-71-38.3177.6-72.9-24.4000112.2E441 E442 E443 R448 A449E441-N445 VanDerWaalsContact O-CB 3.27Å; E441-N445 WeakPolarHBondContact O-CB 3.48Å; E441-N445 PolarHBondContact O-N 3.2Å; E441-N445 PolarHBondContact O-ND2 3.42Å; E441-N445 VanDerWaalsContact O-ND2 3.14Å; E442-N445 PolarHBondContact O-N 2.66Å; E443-N445 VanDerWaalsContact C-N 3.31Å; E443-N445 PolarHBondContact O-N 2.9Å; N445-R448 PolarHBondContact O-N 3.19Å; N445-A449 WeakPolarHBondContact O-CB 2.94Å; N445-A449 PolarHBondContact O-N 3.35Å
446K80.9Confident76.8Confident127 Ų127116.4 Ų116.455%0.55255%0.548SS*.Hα-helixtrans-62.4-47.7171.7-75.3166.4-172.2145.40111.5E442 E443 R448 A449 E450E442-K446 WeakPolarHBondContact O-CG 3.46Å; E442-K446 PolarHBondContact O-N 3.26Å; E442-K446 IonicContact OE2-NZ 2.64Å; E442-K446 PolarHBondContact OE2-NZ 2.97Å; E443-K446 PolarHBondContact O-N 3.41Å; K446-R448 VanDerWaalsContact C-N 3.33Å; K446-R448 PolarHBondContact O-N 2.89Å; K446-A449 PolarHBondContact O-N 2.84Å; K446-E450 PolarHBondContact O-N 2.82Å
447A76.6Confident77Confident51 Ų51113.6 Ų113.642%0.42154%0.539SS..Hα-helixtrans-60.4-41.3177.300000112.2E443 E450 L451E443-A447 WeakPolarHBondContact O-CB 3.39Å; E443-A447 PolarHBondContact O-N 3.23Å; A447-E450 PolarHBondContact O-N 3.25Å; A447-L451 WeakPolarHBondContact O-CG 3.23Å; A447-L451 PolarHBondContact O-N 2.89Å
448R77.8Confident77.2Confident182 Ų182114 Ų11469%0.68754%0.541SS*.Hα-helixtrans-63.5-43.1175.6-171.8177.6-177.3-1792112.4R444 N445 K446 E450 L451 E452R444-R448 WeakPolarHBondContact O-CB 3.49Å; R444-R448 PolarHBondContact O-N 3.17Å; N445-R448 PolarHBondContact O-N 3.19Å; K446-R448 VanDerWaalsContact C-N 3.33Å; K446-R448 PolarHBondContact O-N 2.89Å; R448-E450 VanDerWaalsContact C-N 3.35Å; R448-L451 PolarHBondContact O-N 2.75Å; R448-E452 PolarHBondContact O-N 2.86Å
449A82.2Confident77.9Confident60 Ų60113.6 Ų113.650%0.49654%0.539SS..Hα-helixtrans-66.4-35.7177.100000112.5N445 K446 K453N445-A449 WeakPolarHBondContact O-CB 2.94Å; N445-A449 PolarHBondContact O-N 3.35Å; K446-A449 PolarHBondContact O-N 2.84Å; A449-K453 WeakPolarHBondContact O-CB 3.31Å; A449-K453 PolarHBondContact O-N 2.93Å; A449-K453 VanDerWaalsContact O-N 3.12Å
450E82.9Confident78.4Confident102 Ų102113 Ų11348%0.47753%0.532SS..Hα-helixtrans-70.1-39.7175.6-159.3-173.7157.600112.1K446 A447 R448 K453 R454K446-E450 PolarHBondContact O-N 2.82Å; A447-E450 PolarHBondContact O-N 3.25Å; R448-E450 VanDerWaalsContact C-N 3.35Å; E450-K453 PolarHBondContact O-N 2.93Å; E450-R454 WeakPolarHBondContact O-CG 3.39Å; E450-R454 PolarHBondContact O-N 3.11Å; E450-R454 IonicContact OE1-CZ 3.68Å; E450-R454 IonicContact OE1-NE 2.79Å; E450-R454 PolarHBondContact OE1-NE 3.08Å; E450-R454 IonicContact OE1-NH2 2.64Å; E450-R454 PolarHBondContact OE1-NH2 2.76Å
451L75.9Confident78.5Confident114 Ų114109.3 Ų109.360%0.59752%0.524SS*.Hα-helixtrans-61.6-48.2173.4-75.9168.2000112A447 R448 K453 R454 E455A447-L451 WeakPolarHBondContact O-CG 3.23Å; A447-L451 PolarHBondContact O-N 2.89Å; R448-L451 PolarHBondContact O-N 2.75Å; L451-K453 PolarHBondContact O-N 3.04Å; L451-R454 PolarHBondContact O-N 2.85Å; L451-R454 VanDerWaalsContact O-N 3.15Å; L451-E455 WeakPolarHBondContact O-CB 3.23Å; L451-E455 PolarHBondContact O-N 3.14Å
452E83.9Confident78.5Confident97 Ų97110.9 Ų110.945%0.45353%0.531SS..Hα-helixtrans-62.2-31.6178.3-164.1-168.5148.900112.1R448 K456R448-E452 PolarHBondContact O-N 2.86Å; E452-K456 WeakPolarHBondContact O-CG 3.23Å; E452-K456 PolarHBondContact O-N 2.83Å; E452-K456 WeakPolarHBondContact OE1-CE 3.26Å; E452-K456 IonicContact OE1-NZ 3.99Å; E452-K456 PolarHBondContact OE1-NZ 3.15Å
453K85.1Confident78.7Confident137 Ų137111.3 Ų111.360%0.59653%0.533SS*.Hα-helixtrans-68.9-49.4172.4-172.8-175.8174.3-169.90111.6A449 E450 L451 E455 K456 D457A449-K453 WeakPolarHBondContact O-CB 3.31Å; A449-K453 PolarHBondContact O-N 2.93Å; A449-K453 VanDerWaalsContact O-N 3.12Å; E450-K453 PolarHBondContact O-N 2.93Å; L451-K453 PolarHBondContact O-N 3.04Å; K453-E455 VanDerWaalsContact C-N 3.28Å; K453-E455 PolarHBondContact O-N 2.99Å; K453-K456 PolarHBondContact O-N 2.95Å; K453-D457 PolarHBondContact O-N 3.39Å
454R75.3Confident78.7Confident150 Ų150110.8 Ų110.857%0.56653%0.531SS*.Hα-helixtrans-60.2-37.3178.1-71.7-179-170.9-169.84.7112.1E450 L451 D457 L458E450-R454 WeakPolarHBondContact O-CG 3.39Å; E450-R454 PolarHBondContact O-N 3.11Å; E450-R454 IonicContact OE1-CZ 3.68Å; E450-R454 IonicContact OE1-NE 2.79Å; E450-R454 PolarHBondContact OE1-NE 3.08Å; E450-R454 IonicContact OE1-NH2 2.64Å; E450-R454 PolarHBondContact OE1-NH2 2.76Å; L451-R454 PolarHBondContact O-N 2.85Å; L451-R454 VanDerWaalsContact O-N 3.15Å; R454-D457 PolarHBondContact O-N 2.81Å; R454-L458 WeakPolarHBondContact O-CB 3.35Å; R454-L458 PolarHBondContact O-N 3.31Å
455E78.3Confident78.7Confident135 Ų135109.5 Ų109.563%0.63153%0.531SS*.Hα-helixtrans-63.8-44.6176-171.6175.3-161.900111.9L451 K453 D457 L458 L459L451-E455 WeakPolarHBondContact O-CB 3.23Å; L451-E455 PolarHBondContact O-N 3.14Å; K453-E455 VanDerWaalsContact C-N 3.28Å; K453-E455 PolarHBondContact O-N 2.99Å; E455-D457 PolarHBondContact O-N 3.07Å; E455-L458 PolarHBondContact O-N 2.95Å; E455-L459 WeakPolarHBondContact O-CB 3.46Å; E455-L459 PolarHBondContact O-N 3.3Å
456K83.9Confident78.6Confident115 Ų115111.6 Ų111.650%0.554%0.538SS..Hα-helixtrans-65.3-37.2175.1-73.6169.8-172.41660113.1E452 K453 K460E452-K456 WeakPolarHBondContact O-CG 3.23Å; E452-K456 PolarHBondContact O-N 2.83Å; E452-K456 WeakPolarHBondContact OE1-CE 3.26Å; E452-K456 IonicContact OE1-NZ 3.99Å; E452-K456 PolarHBondContact OE1-NZ 3.15Å; K453-K456 PolarHBondContact O-N 2.95Å; K456-K460 WeakPolarHBondContact O-CG 3.28Å; K456-K460 PolarHBondContact O-N 2.91Å; K456-K460 VanDerWaalsContact O-N 3.14Å
457D78.6Confident78.5Confident78 Ų78109.9 Ų109.942%0.41753%0.534SS..Hα-helixtrans-71.1-38.3177.5-68.8-24.2000111.2K453 R454 E455 K460 A461K453-D457 PolarHBondContact O-N 3.39Å; R454-D457 PolarHBondContact O-N 2.81Å; E455-D457 PolarHBondContact O-N 3.07Å; D457-K460 PolarHBondContact O-N 3.3Å; D457-A461 PolarHBondContact O-N 3.36Å
458L74.4Confident78.2Confident108 Ų108112.6 Ų112.657%0.56554%0.541SS*.Hα-helixtrans-61.1-44.7170.2-100.6163.9000112.5R454 E455 K460 A461 Q462R454-L458 WeakPolarHBondContact O-CB 3.35Å; R454-L458 PolarHBondContact O-N 3.31Å; E455-L458 PolarHBondContact O-N 2.95Å; L458-K460 VanDerWaalsContact C-N 3.32Å; L458-K460 PolarHBondContact O-N 2.95Å; L458-A461 PolarHBondContact O-N 2.94Å; L458-Q462 WeakPolarHBondContact O-CG 3.46Å; L458-Q462 PolarHBondContact O-N 2.92Å
459L85.1Confident77.6Confident96 Ų96108 Ų10850%0.50353%0.53SS..Hα-helixtrans-64.1-38-179.5-158.1106.6000111.8E455 Q463E455-L459 WeakPolarHBondContact O-CB 3.46Å; E455-L459 PolarHBondContact O-N 3.3Å; L459-Q463 WeakPolarHBondContact O-CG 3.32Å; L459-Q463 PolarHBondContact O-N 2.8Å
460K83.5Confident77.2Confident121 Ų121110.9 Ų110.953%0.52653%0.533SS..Hα-helixtrans-64.3-47.1171.7-76176.4-179.5172.20112.1K456 D457 L458 Q462 Q463 E464K456-K460 WeakPolarHBondContact O-CG 3.28Å; K456-K460 PolarHBondContact O-N 2.91Å; K456-K460 VanDerWaalsContact O-N 3.14Å; D457-K460 PolarHBondContact O-N 3.3Å; L458-K460 VanDerWaalsContact C-N 3.32Å; L458-K460 PolarHBondContact O-N 2.95Å; K460-Q462 VanDerWaalsContact C-N 3.28Å; K460-Q462 PolarHBondContact O-N 2.92Å; K460-Q463 PolarHBondContact O-N 2.86Å; K460-Q463 VanDerWaalsContact O-N 3.12Å; K460-E464 WeakPolarHBondContact O-CG 3.42Å; K460-E464 PolarHBondContact O-N 3.47Å
461A72.8Confident76.5Confident51 Ų51111.8 Ų111.842%0.42154%0.535SS..Hα-helixtrans-59.9-39.1178.100000111.8D457 L458 H465D457-A461 PolarHBondContact O-N 3.36Å; L458-A461 PolarHBondContact O-N 2.94Å; A461-H465 VanDerWaalsContact O-CB 3.24Å; A461-H465 WeakPolarHBondContact O-CB 3.34Å; A461-H465 PolarHBondContact O-N 2.89Å
462Q73.8Confident75.7Confident124 Ų124110.9 Ų110.958%0.57953%0.531SS*.Hα-helixtrans-64.9-41.6173.3-74.2179.7-12.500112.7L458 K460 H465 H466L458-Q462 WeakPolarHBondContact O-CG 3.46Å; L458-Q462 PolarHBondContact O-N 2.92Å; K460-Q462 VanDerWaalsContact C-N 3.28Å; K460-Q462 PolarHBondContact O-N 2.92Å; Q462-H465 PolarHBondContact O-N 2.72Å; Q462-H466 WeakPolarHBondContact O-CB 3.43Å; Q462-H466 PolarHBondContact O-N 3.2Å
463Q79.4Confident74.7Confident122 Ų122108 Ų10857%0.5752%0.521SS*.Hα-helixtrans-64.7-43.9175.4-74.7176.1-3.300112.1L459 K460 H466 L467L459-Q463 WeakPolarHBondContact O-CG 3.32Å; L459-Q463 PolarHBondContact O-N 2.8Å; K460-Q463 PolarHBondContact O-N 2.86Å; K460-Q463 VanDerWaalsContact O-N 3.12Å; Q463-H466 PolarHBondContact O-N 3.22Å; Q463-L467 VanDerWaalsContact O-CB 3.29Å; Q463-L467 WeakPolarHBondContact O-CB 3.47Å; Q463-L467 PolarHBondContact O-N 3.42Å
464E75.2Confident73.7Confident133 Ų133103.8 Ų103.862%0.62151%0.512SS*.Hα-helixtrans-63.3-42175.8-72.3179.4177.300111.7K460 L467 L468K460-E464 WeakPolarHBondContact O-CG 3.42Å; K460-E464 PolarHBondContact O-N 3.47Å; E464-L467 PolarHBondContact O-N 3.05Å; E464-L468 WeakPolarHBondContact O-CB 3.42Å; E464-L468 WeakPolarHBondContact O-CG 3.29Å; E464-L468 PolarHBondContact O-N 3.42Å
465H70.6Confident72.7Confident120 Ų120102 Ų10256%0.55651%0.513SS*.Hα-helixtrans-63.3-43175.1-174.3-94.8000112.4A461 Q462 L468 L469A461-H465 VanDerWaalsContact O-CB 3.24Å; A461-H465 WeakPolarHBondContact O-CB 3.34Å; A461-H465 PolarHBondContact O-N 2.89Å; Q462-H465 PolarHBondContact O-N 2.72Å; H465-L468 PolarHBondContact O-N 3.39Å; H465-L469 WeakPolarHBondContact O-CG 3.32Å; H465-L469 PolarHBondContact O-N 3.21Å
466H74.9Confident71.3Confident121 Ų121100.4 Ų100.456%0.5651%0.505SS*.Hα-helixtrans-64.9-40.9176.4-166.269.6000111.9Q462 Q463 L468 L469 E470Q462-H466 WeakPolarHBondContact O-CB 3.43Å; Q462-H466 PolarHBondContact O-N 3.2Å; Q463-H466 PolarHBondContact O-N 3.22Å; H466-L468 VanDerWaalsContact C-N 3.32Å; H466-L468 PolarHBondContact O-N 3.05Å; H466-L469 WeakPolarHBondContact O-CB 3.23Å; H466-L469 PolarHBondContact O-N 3.42Å; H466-E470 PolarHBondContact O-N 2.69Å
467L78.1Confident69.7Low90 Ų90101 Ų10147%0.47151%0.508SS..Hα-helixtrans-72.5-26.1178.8-158.7145.4000112.3Q463 E464 K471Q463-L467 VanDerWaalsContact O-CB 3.29Å; Q463-L467 WeakPolarHBondContact O-CB 3.47Å; Q463-L467 PolarHBondContact O-N 3.42Å; E464-L467 PolarHBondContact O-N 3.05Å; L467-K471 HydrophobicContact CD2-CD 4.19Å; L467-K471 VanDerWaalsContact O-CG 3.3Å; L467-K471 WeakPolarHBondContact O-CG 3.4Å; L467-K471 PolarHBondContact O-N 3.12Å
468L70.5Confident68.4Low108 Ų108105.1 Ų105.157%0.56552%0.522SS*.Hα-helixtrans-70.2-44.1166.3-80.7164.8000111.8E464 H465 H466 K471 L472E464-L468 WeakPolarHBondContact O-CB 3.42Å; E464-L468 WeakPolarHBondContact O-CG 3.29Å; E464-L468 PolarHBondContact O-N 3.42Å; H465-L468 PolarHBondContact O-N 3.39Å; H466-L468 VanDerWaalsContact C-N 3.32Å; H466-L468 PolarHBondContact O-N 3.05Å; L468-K471 WeakPolarHBondContact O-CB 3.5Å; L468-K471 PolarHBondContact O-N 2.89Å; L468-L472 WeakPolarHBondContact O-CB 3.12Å; L468-L472 PolarHBondContact O-N 3.1Å
469L66.1Low67.1Low86 Ų86105.5 Ų105.545%0.4553%0.529SS..Hα-helixtrans-61.8-41.7175-79.3169.3000112.5H465 H466 K471 L472 S473H465-L469 WeakPolarHBondContact O-CG 3.32Å; H465-L469 PolarHBondContact O-N 3.21Å; H466-L469 WeakPolarHBondContact O-CB 3.23Å; H466-L469 PolarHBondContact O-N 3.42Å; L469-K471 VanDerWaalsContact C-N 3.34Å; L469-K471 PolarHBondContact O-N 3.1Å; L469-L472 PolarHBondContact O-N 2.64Å; L469-S473 WeakPolarHBondContact O-CB 3.25Å; L469-S473 PolarHBondContact O-N 3.28Å
470E72.4Confident65.2Low121 Ų121106.6 Ų106.657%0.56553%0.534SS*.Hα-helixtrans-62.3-40.6172.9-79.8-161.9126.900112H466 S473 A474H466-E470 PolarHBondContact O-N 2.69Å; E470-S473 PolarHBondContact O-N 3.43Å; E470-A474 WeakPolarHBondContact O-CB 3.46Å; E470-A474 PolarHBondContact O-N 3.32Å
471K68.9Low63.1Low121 Ų121106 Ų10653%0.52654%0.54SS..Hα-helixtrans-64.4-39.6174.1-78169.8179.6167.80112.1L467 L468 L469 A474 L475L467-K471 HydrophobicContact CD2-CD 4.19Å; L467-K471 VanDerWaalsContact O-CG 3.3Å; L467-K471 WeakPolarHBondContact O-CG 3.4Å; L467-K471 PolarHBondContact O-N 3.12Å; L468-K471 WeakPolarHBondContact O-CB 3.5Å; L468-K471 PolarHBondContact O-N 2.89Å; L469-K471 VanDerWaalsContact C-N 3.34Å; L469-K471 PolarHBondContact O-N 3.1Å; K471-A474 PolarHBondContact O-N 3.4Å; K471-L475 WeakPolarHBondContact O-CB 3.47Å; K471-L475 VanDerWaalsContact O-CG 3.28Å; K471-L475 WeakPolarHBondContact O-CG 3.36Å; K471-L475 PolarHBondContact O-N 3.23Å
472L59.8Low61.5Low95 Ų95106.1 Ų106.150%0.49755%0.546SS..Hα-helixtrans-62.6-52.6175.3-124.7165.5000110.2L468 L469 A474 L475 E476L468-L472 WeakPolarHBondContact O-CB 3.12Å; L468-L472 PolarHBondContact O-N 3.1Å; L469-L472 PolarHBondContact O-N 2.64Å; L472-A474 VanDerWaalsContact C-N 3.29Å; L472-A474 PolarHBondContact O-N 2.99Å; L472-L475 WeakPolarHBondContact O-CB 3.49Å; L472-L475 PolarHBondContact O-N 3.12Å; L472-E476 HydrophobicContact CD2-CG 4.3Å; L472-E476 WeakPolarHBondContact O-CG 3.34Å; L472-E476 PolarHBondContact O-N 3.23Å
473S61.9Low60.2Low36 Ų36101 Ų10125%0.25253%0.526SS..Hα-helixtrans-61.2-35.2176.5-169.40000113L469 E470 K477L469-S473 WeakPolarHBondContact O-CB 3.25Å; L469-S473 PolarHBondContact O-N 3.28Å; E470-S473 PolarHBondContact O-N 3.43Å; S473-K477 VanDerWaalsContact O-CB 3.23Å; S473-K477 WeakPolarHBondContact O-CB 3.44Å; S473-K477 WeakPolarHBondContact O-CD 3.27Å; S473-K477 VanDerWaalsContact O-CG 3.23Å; S473-K477 WeakPolarHBondContact O-CG 3.43Å; S473-K477 PolarHBondContact O-N 3.49Å; S473-K477 PolarHBondContact OG-NZ 3.14Å
474A64.6Low58.7Low49 Ų49100.8 Ų100.841%0.40553%0.533SS..Hα-helixtrans-73.3-27.8175.700000113E470 K471 L472 K478E470-A474 WeakPolarHBondContact O-CB 3.46Å; E470-A474 PolarHBondContact O-N 3.32Å; K471-A474 PolarHBondContact O-N 3.4Å; L472-A474 VanDerWaalsContact C-N 3.29Å; L472-A474 PolarHBondContact O-N 2.99Å; A474-K478 WeakPolarHBondContact O-CB 3.31Å; A474-K478 VanDerWaalsContact O-CG 3.25Å; A474-K478 WeakPolarHBondContact O-CG 3.39Å; A474-K478 PolarHBondContact O-N 3.3Å; A474-K478 VanDerWaalsContact O-N 3.17Å
475L54.7Low57.5Low112 Ų11299.6 Ų99.659%0.58653%0.531SS*.Hα-helixtrans-74.3-50170.7-76.2165.6000110.5K471 L472 K477 K478 V479K471-L475 WeakPolarHBondContact O-CB 3.47Å; K471-L475 VanDerWaalsContact O-CG 3.28Å; K471-L475 WeakPolarHBondContact O-CG 3.36Å; K471-L475 PolarHBondContact O-N 3.23Å; L472-L475 WeakPolarHBondContact O-CB 3.49Å; L472-L475 PolarHBondContact O-N 3.12Å; L475-K477 PolarHBondContact O-N 3.47Å; L475-K478 PolarHBondContact O-N 3.33Å; L475-V479 WeakPolarHBondContact O-CG2 3.42Å; L475-V479 PolarHBondContact O-N 3.04Å
476E48.9Very low56.5Low101 Ų10196.8 Ų96.847%0.47252%0.52SS..Hα-helixtrans-52.7-51.2173.6-70.7168.2168.300111.2L472 K478 V479 I480L472-E476 HydrophobicContact CD2-CG 4.3Å; L472-E476 WeakPolarHBondContact O-CG 3.34Å; L472-E476 PolarHBondContact O-N 3.23Å; E476-K478 VanDerWaalsContact C-N 3.3Å; E476-K478 PolarHBondContact O-N 3.18Å; E476-V479 PolarHBondContact O-N 3.36Å; E476-I480 WeakPolarHBondContact O-CB 3.49Å; E476-I480 VanDerWaalsContact O-CG1 3.29Å; E476-I480 WeakPolarHBondContact O-CG1 3.43Å; E476-I480 PolarHBondContact O-N 2.89Å
477K50.3Low55.7Low127 Ų12795.9 Ų95.955%0.55252%0.519SS*.Hα-helixtrans-63.3-32.1176.7-74.5166.3179.81500112.9S473 L475 V481S473-K477 VanDerWaalsContact O-CB 3.23Å; S473-K477 WeakPolarHBondContact O-CB 3.44Å; S473-K477 WeakPolarHBondContact O-CD 3.27Å; S473-K477 VanDerWaalsContact O-CG 3.23Å; S473-K477 WeakPolarHBondContact O-CG 3.43Å; S473-K477 PolarHBondContact O-N 3.49Å; S473-K477 PolarHBondContact OG-NZ 3.14Å; L475-K477 PolarHBondContact O-N 3.47Å; K477-V481 WeakPolarHBondContact O-CB 3.42Å; K477-V481 WeakPolarHBondContact O-CG2 3.32Å; K477-V481 PolarHBondContact O-N 3Å
478K50.4Low55Low166 Ų16693.7 Ų93.772%0.72251%0.514SS*.Hα-helixtrans-74.5-32.6174.5-81.8176.8178.4178.70113A474 L475 E476 G482A474-K478 WeakPolarHBondContact O-CB 3.31Å; A474-K478 VanDerWaalsContact O-CG 3.25Å; A474-K478 WeakPolarHBondContact O-CG 3.39Å; A474-K478 PolarHBondContact O-N 3.3Å; A474-K478 VanDerWaalsContact O-N 3.17Å; L475-K478 PolarHBondContact O-N 3.33Å; E476-K478 VanDerWaalsContact C-N 3.3Å; E476-K478 PolarHBondContact O-N 3.18Å; K478-G482 PolarHBondContact O-N 2.99Å
479V47.9Very low54.9Low115 Ų11592.8 Ų92.870%0.69751%0.505SS*.Hα-helixtrans-67-42.6172170.80000110.4L475 E476L475-V479 WeakPolarHBondContact O-CG2 3.42Å; L475-V479 PolarHBondContact O-N 3.04Å; E476-V479 PolarHBondContact O-N 3.36Å
480I44.9Very low54.9Low119 Ų11989.9 Ų89.961%0.6149%0.494SS*.Hα-helixtrans-78.2-47.4-177.1-65.1164.3000112.3E476 G482 G483E476-I480 WeakPolarHBondContact O-CB 3.49Å; E476-I480 VanDerWaalsContact O-CG1 3.29Å; E476-I480 WeakPolarHBondContact O-CG1 3.43Å; E476-I480 PolarHBondContact O-N 2.89Å; I480-G482 VanDerWaalsContact C-N 3.34Å; I480-G482 PolarHBondContact O-N 3.15Å; I480-G483 PolarHBondContact O-N 3.09Å
481V38Very low54.9Low110 Ų11089.1 Ų89.167%0.66749%0.49SS*.Hα-helixtrans-79.3-16.5-171.8-1790000112.9K477 G483K477-V481 WeakPolarHBondContact O-CB 3.42Å; K477-V481 WeakPolarHBondContact O-CG2 3.32Å; K477-V481 PolarHBondContact O-N 3Å; V481-G483 VanDerWaalsContact C-N 3.28Å
482G39.7Very low55.4Low53 Ų5388.6 Ų88.655%0.54649%0.489SS..THydrogen-bonded Turntrans-77.9-10.9165.100000114.1K478 I480K478-G482 PolarHBondContact O-N 2.99Å; I480-G482 VanDerWaalsContact C-N 3.34Å; I480-G482 PolarHBondContact O-N 3.15Å
483G46.9Very low56.1Low15 Ų1584.2 Ų84.216%0.15547%0.466CS..  trans-97.7-9.2-164.500000116.8I480 V481 D485 L486 L487I480-G483 PolarHBondContact O-N 3.09Å; V481-G483 VanDerWaalsContact C-N 3.28Å; G483-D485 VanDerWaalsContact C-N 3.26Å; G483-D485 PolarHBondContact O-N 3.27Å; G483-D485 VanDerWaalsContact O-N 3.17Å; G483-L486 PolarHBondContact O-N 3.34Å; G483-L487 PolarHBondContact O-N 2.81Å
484V47Very low56.9Low119 Ų11983.3 Ų83.372%0.72146%0.458SS*.Hα-helixtrans-61.6-31.7-169.8-169.90000113.3
485D51.9Low57.8Low108 Ų10887.1 Ų87.158%0.57846%0.462SS*.Hα-helixtrans-98.23.4176.3-172.442000112.8G483 K489G483-D485 VanDerWaalsContact C-N 3.26Å; G483-D485 PolarHBondContact O-N 3.27Å; G483-D485 VanDerWaalsContact O-N 3.17Å; D485-K489 WeakPolarHBondContact O-CG 3.42Å; D485-K489 PolarHBondContact O-NZ 3.32Å; D485-K489 IonicContact OD1-NZ 3.88Å; D485-K489 PolarHBondContact OD1-NZ 3.45Å; D485-K489 IonicContact OD2-NZ 3.55Å; D485-K489 PolarHBondContact OD2-NZ 3Å
486L49.1Very low59.2Low60 Ų6084.5 Ų84.531%0.31445%0.448SS..Hα-helixtrans-112.7-46.8-176.5-60.2-176000111.7D193 G483 A488 K489 A490D193-L486 WeakPolarHBondContact OD2-CB 3.38Å; G483-L486 PolarHBondContact O-N 3.34Å; L486-A488 VanDerWaalsContact C-N 3.31Å; L486-A488 PolarHBondContact O-N 3.39Å; L486-K489 PolarHBondContact O-N 3.42Å; L486-A490 PolarHBondContact O-N 2.6Å; L486-A490 VanDerWaalsContact O-N 3.16Å
487L56.7Low60.7Low103 Ų10379.9 Ų79.954%0.53943%0.427SS..Hα-helixtrans-57.5-47.9170.9-144.184000109.8G483 K489 A490 E491G483-L487 PolarHBondContact O-N 2.81Å; L487-K489 PolarHBondContact O-N 3.38Å; L487-K489 VanDerWaalsContact O-N 3.17Å; L487-A490 WeakPolarHBondContact O-CB 3.46Å; L487-A490 PolarHBondContact O-N 2.79Å; L487-E491 WeakPolarHBondContact CD2-OE1 3.08Å; L487-E491 WeakPolarHBondContact O-CB 3.45Å; L487-E491 WeakPolarHBondContact O-CG 3.44Å; L487-E491 PolarHBondContact O-N 3.26Å
488A65.1Low62.3Low44 Ų4477.1 Ų77.136%0.36442%0.416SS..Hα-helixtrans-56.7-32.917800000113.9L486 E492L486-A488 VanDerWaalsContact C-N 3.31Å; L486-A488 PolarHBondContact O-N 3.39Å; A488-E492 VanDerWaalsContact O-CB 3.22Å; A488-E492 WeakPolarHBondContact O-CB 3.38Å; A488-E492 PolarHBondContact O-N 3.28Å
489K67.3Low64Low88 Ų8873.7 Ų73.738%0.38340%0.403SS..Hα-helixtrans-78.7-31.9176.7-70.2-171.4-174.287.10113D485 L486 L487 Q493D485-K489 WeakPolarHBondContact O-CG 3.42Å; D485-K489 PolarHBondContact O-NZ 3.32Å; D485-K489 IonicContact OD1-NZ 3.88Å; D485-K489 PolarHBondContact OD1-NZ 3.45Å; D485-K489 IonicContact OD2-NZ 3.55Å; D485-K489 PolarHBondContact OD2-NZ 3Å; L486-K489 PolarHBondContact O-N 3.42Å; L487-K489 PolarHBondContact O-N 3.38Å; L487-K489 VanDerWaalsContact O-N 3.17Å; K489-Q493 PolarHBondContact O-N 2.76Å; K489-Q493 VanDerWaalsContact O-N 3.15Å
490A65.7Low65.6Low26 Ų2668.9 Ų68.922%0.21537%0.374CS..Hα-helixtrans-69.8-46.3172.200000110.4L486 L487 Q493 E494L486-A490 PolarHBondContact O-N 2.6Å; L486-A490 VanDerWaalsContact O-N 3.16Å; L487-A490 WeakPolarHBondContact O-CB 3.46Å; L487-A490 PolarHBondContact O-N 2.79Å; A490-Q493 PolarHBondContact O-N 3.04Å; A490-E494 WeakPolarHBondContact O-CB 3.3Å; A490-E494 PolarHBondContact O-N 3.41Å
491E73.4Confident67.3Low105 Ų10564 Ų6449%0.49135%0.349SS..Hα-helixtrans-60.2-42.1173.9-70.4171.3167.600112.1L487 E494 R495L487-E491 WeakPolarHBondContact CD2-OE1 3.08Å; L487-E491 WeakPolarHBondContact O-CB 3.45Å; L487-E491 WeakPolarHBondContact O-CG 3.44Å; L487-E491 PolarHBondContact O-N 3.26Å; E491-E494 PolarHBondContact O-N 3.11Å; E491-R495 WeakPolarHBondContact O-CB 3.39Å; E491-R495 PolarHBondContact O-N 3.05Å
492E79.6Confident69.5Low109 Ų10963.5 Ų63.551%0.50934%0.342SS..Hα-helixtrans-63.8-45.2175.7-177.5176.3-149.400111.8A488 E494 R495 L496A488-E492 VanDerWaalsContact O-CB 3.22Å; A488-E492 WeakPolarHBondContact O-CB 3.38Å; A488-E492 PolarHBondContact O-N 3.28Å; E492-E494 VanDerWaalsContact C-N 3.33Å; E492-E494 PolarHBondContact O-N 2.91Å; E492-R495 PolarHBondContact O-N 3.12Å; E492-L496 WeakPolarHBondContact O-CG 3.38Å; E492-L496 PolarHBondContact O-N 3.28Å
493Q74.3Confident71.7Confident4 Ų465 Ų652%0.01934%0.335CS..Hα-helixtrans-64-39.2175.4-169.976.32800111.3P117 N125 A128 K489 A490 L496 L497P117-Q493 PolarHBondContact O-NE2 2.83Å; N125-Q493 PolarHBondContact OD1-NE2 3.13Å; A128-Q493 HydrophobicContact CB-CB 4.15Å; A128-Q493 HydrophobicContact CB-CG 3.91Å; K489-Q493 PolarHBondContact O-N 2.76Å; K489-Q493 VanDerWaalsContact O-N 3.15Å; A490-Q493 PolarHBondContact O-N 3.04Å; Q493-L496 PolarHBondContact O-N 3.01Å; Q493-L497 VanDerWaalsContact O-CG 3.32Å; Q493-L497 WeakPolarHBondContact O-CG 3.3Å; Q493-L497 PolarHBondContact O-N 3.13Å
494E78.1Confident73.4Confident16 Ų1665 Ų658%0.07533%0.332CS..Hα-helixtrans-66.1-43.1176.9-170.3179.1-162.900111.8G132 K136 A490 E491 E492 L496 L497 E498G132-E494 WeakPolarHBondContact CA-OE1 3.26Å; G132-E494 VanDerWaalsContact CA-OE2 3.32Å; G132-E494 WeakPolarHBondContact CA-OE2 3.44Å; K136-E494 WeakPolarHBondContact CE-OE1 3.5Å; K136-E494 WeakPolarHBondContact CE-OE2 3.35Å; K136-E494 IonicContact NZ-OE1 3.1Å; K136-E494 PolarHBondContact NZ-OE1 3.25Å; K136-E494 IonicContact NZ-OE2 3.71Å; K136-E494 PolarHBondContact NZ-OE2 3.31Å; A490-E494 WeakPolarHBondContact O-CB 3.3Å; A490-E494 PolarHBondContact O-N 3.41Å; E491-E494 PolarHBondContact O-N 3.11Å; E492-E494 VanDerWaalsContact C-N 3.33Å; E492-E494 PolarHBondContact O-N 2.91Å; E494-L496 VanDerWaalsContact C-N 3.3Å; E494-L496 PolarHBondContact O-N 3.3Å; E494-L497 CarbonylContact O-C 3.57Å; E494-L497 WeakPolarHBondContact O-CA 3.29Å; E494-L497 WeakPolarHBondContact O-CB 3.46Å; E494-L497 PolarHBondContact O-N 3.09Å; E494-E498 PolarHBondContact O-N 2.85Å
495R83.8Confident75Confident130 Ų13063.3 Ų63.349%0.49132%0.316SS..Hα-helixtrans-60.6-40.8175.2-156.2-170.881.6-131.7-8.4111.3E491 E492 L497 E498 E499E491-R495 WeakPolarHBondContact O-CB 3.39Å; E491-R495 PolarHBondContact O-N 3.05Å; E492-R495 PolarHBondContact O-N 3.12Å; R495-L497 VanDerWaalsContact C-N 3.33Å; R495-L497 PolarHBondContact O-N 2.93Å; R495-E498 PolarHBondContact O-N 2.72Å; R495-E499 IonicContact CZ-OE1 3.48Å; R495-E499 IonicContact NE-OE1 2.71Å; R495-E499 PolarHBondContact NE-OE1 3Å; R495-E499 IonicContact NH2-OE1 3.52Å; R495-E499 PolarHBondContact NH2-OE1 2.88Å; R495-E499 WeakPolarHBondContact O-CB 3.34Å; R495-E499 VanDerWaalsContact O-CG 3.26Å; R495-E499 WeakPolarHBondContact O-CG 3.4Å; R495-E499 PolarHBondContact O-N 2.83Å
496L83.4Confident76.6Confident56 Ų5663.7 Ų63.729%0.29331%0.314SS..Hα-helixtrans-63.6-36.7173-70.6170.6000112.5L74 E492 Q493 E494 S500L74-L496 HydrophobicContact CD2-CB 4.19Å; L74-L496 WeakPolarHBondContact CD2-O 3.48Å; E492-L496 WeakPolarHBondContact O-CG 3.38Å; E492-L496 PolarHBondContact O-N 3.28Å; Q493-L496 PolarHBondContact O-N 3.01Å; E494-L496 VanDerWaalsContact C-N 3.3Å; E494-L496 PolarHBondContact O-N 3.3Å; L496-S500 WeakPolarHBondContact O-CB 3.29Å; L496-S500 PolarHBondContact O-N 3.34Å
497L81Confident78.1Confident4 Ų465.2 Ų65.22%0.02132%0.316CS..Hα-helixtrans-67.5-41.9174.6-71.8171.4000111.8L74 Y77 N78 N125 H129 Q493 E494 R495 N501L74-L497 HydrophobicContact CD2-CD2 4.16Å; L74-L497 HydrophobicContact CG-CD2 4.04Å; Y77-L497 HydrophobicContact CD1-CD2 3.61Å; Y77-L497 HydrophobicContact CE1-CD1 4.25Å; Y77-L497 HydrophobicContact CE1-CD2 4.11Å; Y77-L497 HydrophobicContact CG-CD2 4.36Å; N78-L497 PolarHBondContact ND2-O 2.84Å; N125-L497 HydrophobicContact CB-CD1 4.43Å; N125-L497 HydrophobicContact CB-CD2 4.41Å; H129-L497 HydrophobicContact CB-CD1 4.49Å; Q493-L497 VanDerWaalsContact O-CG 3.32Å; Q493-L497 WeakPolarHBondContact O-CG 3.3Å; Q493-L497 PolarHBondContact O-N 3.13Å; E494-L497 CarbonylContact O-C 3.57Å; E494-L497 WeakPolarHBondContact O-CA 3.29Å; E494-L497 WeakPolarHBondContact O-CB 3.46Å; E494-L497 PolarHBondContact O-N 3.09Å; R495-L497 VanDerWaalsContact C-N 3.33Å; R495-L497 PolarHBondContact O-N 2.93Å; L497-N501 WeakPolarHBondContact O-CB 3.32Å; L497-N501 PolarHBondContact O-N 3.07Å
498E84.2Confident79.1Confident70 Ų7068 Ų6833%0.32732%0.319SS..Hα-helixtrans-67.2-48.1176-72.3-179.5162.900112.3K136 E494 R495 S500 N501 N502K136-E498 IonicContact NZ-OE1 3.4Å; K136-E498 PolarHBondContact NZ-OE1 2.99Å; K136-E498 IonicContact NZ-OE2 2.72Å; E494-E498 PolarHBondContact O-N 2.85Å; R495-E498 PolarHBondContact O-N 2.72Å; E498-S500 VanDerWaalsContact C-N 3.34Å; E498-S500 PolarHBondContact O-N 2.87Å; E498-N501 PolarHBondContact O-N 3.39Å; E498-N501 VanDerWaalsContact O-N 3.15Å; E498-N502 VanDerWaalsContact O-CG 3.24Å; E498-N502 PolarHBondContact O-N 3.31Å; E498-N502 PolarHBondContact O-ND2 2.88Å
499E85.7Confident79.9Confident94 Ų9471.8 Ų71.844%0.43933%0.327SS..Hα-helixtrans-55.7-48.4173.9-75.5171.6-16100110.9R495 N501 N502 E503R495-E499 IonicContact CZ-OE1 3.48Å; R495-E499 IonicContact NE-OE1 2.71Å; R495-E499 PolarHBondContact NE-OE1 3Å; R495-E499 IonicContact NH2-OE1 3.52Å; R495-E499 PolarHBondContact NH2-OE1 2.88Å; R495-E499 WeakPolarHBondContact O-CB 3.34Å; R495-E499 VanDerWaalsContact O-CG 3.26Å; R495-E499 WeakPolarHBondContact O-CG 3.4Å; R495-E499 PolarHBondContact O-N 2.83Å; E499-N501 PolarHBondContact O-N 2.89Å; E499-N502 PolarHBondContact O-N 3.41Å; E499-E503 PolarHBondContact O-N 3.42Å; E499-E503 VanDerWaalsContact O-N 3.07Å
500S81.9Confident80.7Confident13 Ų1373.6 Ų73.69%0.09133%0.332CS..Hα-helixtrans-63.1-38.6175.9172.20000112.5N78 L496 E498 L504N78-S500 WeakPolarHBondContact ND2-CB 3.45Å; N78-S500 PolarHBondContact ND2-OG 3.22Å; N78-S500 VanDerWaalsContact ND2-OG 3.15Å; L496-S500 WeakPolarHBondContact O-CB 3.29Å; L496-S500 PolarHBondContact O-N 3.34Å; E498-S500 VanDerWaalsContact C-N 3.34Å; E498-S500 PolarHBondContact O-N 2.87Å; S500-L504 WeakPolarHBondContact O-CB 3.31Å; S500-L504 PolarHBondContact O-N 3.13Å
501N80.6Confident81.3Confident17 Ų1774 Ų749%0.09134%0.335CS..Hα-helixtrans-64.3-44.9177.9-179.389.7000111.3N78 R82 L497 E498 E499 L504 E505N78-N501 PolarHBondContact ND2-N 3.37Å; R82-N501 PolarHBondContact NH1-ND2 2.87Å; R82-N501 PolarHBondContact NH1-OD1 2.96Å; L497-N501 WeakPolarHBondContact O-CB 3.32Å; L497-N501 PolarHBondContact O-N 3.07Å; E498-N501 PolarHBondContact O-N 3.39Å; E498-N501 VanDerWaalsContact O-N 3.15Å; E499-N501 PolarHBondContact O-N 2.89Å; N501-L504 CarbonylContact O-C 3.6Å; N501-L504 PolarHBondContact O-N 2.95Å; N501-E505 PolarHBondContact ND2-OE1 3.34Å; N501-E505 PolarHBondContact O-N 3.15Å
502N85.1Confident81.6Confident99 Ų9973.4 Ų73.453%0.52933%0.332SS..Hα-helixtrans-64.6-44.8-179.1-65.1-14.9000111E498 E499 L504 E505 E506E498-N502 VanDerWaalsContact O-CG 3.24Å; E498-N502 PolarHBondContact O-N 3.31Å; E498-N502 PolarHBondContact O-ND2 2.88Å; E499-N502 PolarHBondContact O-N 3.41Å; N502-L504 VanDerWaalsContact C-N 3.28Å; N502-L504 PolarHBondContact O-N 2.9Å; N502-E505 PolarHBondContact O-N 3.5Å; N502-E506 PolarHBondContact O-N 2.99Å
503E85.1Confident81.9Confident85 Ų8574.1 Ų74.140%0.39734%0.336SS..Hα-helixtrans-59.2-42.1172.6-165.9-167.1178.100111.4E499 E506 R507E499-E503 PolarHBondContact O-N 3.42Å; E499-E503 VanDerWaalsContact O-N 3.07Å; E503-E506 PolarHBondContact O-N 3.48Å; E503-R507 WeakPolarHBondContact O-CG 3.44Å; E503-R507 PolarHBondContact O-N 3.17Å; E503-R507 IonicContact OE1-CZ 3.22Å; E503-R507 VanDerWaalsContact OE1-CZ 3.28Å; E503-R507 IonicContact OE1-NE 3.16Å; E503-R507 PolarHBondContact OE1-NE 2.97Å; E503-R507 VanDerWaalsContact OE1-NE 3.17Å; E503-R507 IonicContact OE1-NH2 3.67Å; E503-R507 PolarHBondContact OE1-NH2 3.17Å; E503-R507 IonicContact OE2-CZ 2.71Å; E503-R507 IonicContact OE2-NH2 3.36Å; E503-R507 PolarHBondContact OE2-NH2 3Å; E503-R507 VanDerWaalsContact OE2-NH2 3.13Å
504L82Confident82.3Confident15 Ų1578.2 Ų78.28%0.07936%0.357CS..Hα-helixtrans-69.6-34.9-178.1-173.1144.2000112.6D75 N78 L79 S500 N501 N502 R507 R508D75-L504 HydrophobicContact CB-CD1 3.96Å; N78-L504 HydrophobicContact CB-CD1 4.47Å; L79-L504 HydrophobicContact CD1-CD1 3.81Å; L79-L504 HydrophobicContact CD1-CD2 4.22Å; L79-L504 HydrophobicContact CD1-CG 4.38Å; L79-L504 HydrophobicContact CD2-CD2 3.71Å; L79-L504 HydrophobicContact CG-CD1 3.8Å; L79-L504 HydrophobicContact CG-CD2 3.61Å; L79-L504 HydrophobicContact CG-CG 4.23Å; S500-L504 WeakPolarHBondContact O-CB 3.31Å; S500-L504 PolarHBondContact O-N 3.13Å; N501-L504 CarbonylContact O-C 3.6Å; N501-L504 PolarHBondContact O-N 2.95Å; N502-L504 VanDerWaalsContact C-N 3.28Å; N502-L504 PolarHBondContact O-N 2.9Å; L504-R507 PolarHBondContact O-N 3.01Å; L504-R508 VanDerWaalsContact O-CB 3.28Å; L504-R508 WeakPolarHBondContact O-CB 3.36Å; L504-R508 PolarHBondContact O-N 3.11Å
505E82.1Confident82.4Confident83 Ų8383.1 Ų83.139%0.38838%0.375SS..Hα-helixtrans-64.5-40.8171.8-80.5-172.5-147.900112.3N501 N502 R508 K509N501-E505 PolarHBondContact ND2-OE1 3.34Å; N501-E505 PolarHBondContact O-N 3.15Å; N502-E505 PolarHBondContact O-N 3.5Å; E505-R508 PolarHBondContact O-N 3.49Å; E505-K509 WeakPolarHBondContact O-CG 3.49Å; E505-K509 PolarHBondContact O-N 2.85Å; E505-K509 IonicContact OE2-NZ 2.68Å
506E84.6Confident82.3Confident116 Ų11682 Ų8254%0.54237%0.374SS..Hα-helixtrans-65.4-40.4173.4-69.6-171.5170.900112.5N502 E503 R508 R510N502-E506 PolarHBondContact O-N 2.99Å; E503-E506 PolarHBondContact O-N 3.48Å; E506-R508 VanDerWaalsContact C-N 3.33Å; E506-R510 WeakPolarHBondContact O-CG 3.12Å; E506-R510 PolarHBondContact O-N 3.13Å; E506-R510 VanDerWaalsContact O-N 3.16Å; E506-R510 PolarHBondContact O-NE 2.7Å; E506-R510 IonicContact OE2-NH2 2.91Å
507R80.6Confident82.4Confident93 Ų9383.4 Ų83.435%0.35138%0.379SS..Hα-helixtrans-62.8-41.3173.2-71.2173.9-177.6-176.25.7110.7D75 E503 L504 R510 A511D75-R507 IonicContact OD1-NH1 3.87Å; D75-R507 IonicContact OD2-NH1 3.41Å; E503-R507 WeakPolarHBondContact O-CG 3.44Å; E503-R507 PolarHBondContact O-N 3.17Å; E503-R507 IonicContact OE1-CZ 3.22Å; E503-R507 VanDerWaalsContact OE1-CZ 3.28Å; E503-R507 IonicContact OE1-NE 3.16Å; E503-R507 PolarHBondContact OE1-NE 2.97Å; E503-R507 VanDerWaalsContact OE1-NE 3.17Å; E503-R507 IonicContact OE1-NH2 3.67Å; E503-R507 PolarHBondContact OE1-NH2 3.17Å; E503-R507 IonicContact OE2-CZ 2.71Å; E503-R507 IonicContact OE2-NH2 3.36Å; E503-R507 PolarHBondContact OE2-NH2 3Å; E503-R507 VanDerWaalsContact OE2-NH2 3.13Å; L504-R507 PolarHBondContact O-N 3.01Å; R507-R510 PolarHBondContact O-N 3.04Å; R507-A511 WeakPolarHBondContact O-CB 3.25Å; R507-A511 PolarHBondContact O-N 2.83Å
508R77.4Confident82.4Confident160 Ų16086.9 Ų86.960%0.60440%0.397SS*.Hα-helixtrans-64.3-45.9178-176.7178.9175.8-171.9-1.7112.2L504 E505 E506 R510 A511 E512L504-R508 VanDerWaalsContact O-CB 3.28Å; L504-R508 WeakPolarHBondContact O-CB 3.36Å; L504-R508 PolarHBondContact O-N 3.11Å; E505-R508 PolarHBondContact O-N 3.49Å; E506-R508 VanDerWaalsContact C-N 3.33Å; R508-R510 VanDerWaalsContact C-N 3.31Å; R508-R510 PolarHBondContact O-N 3.49Å; R508-A511 PolarHBondContact O-N 3.28Å; R508-E512 PolarHBondContact O-N 3.4Å
509K82.7Confident82.2Confident125 Ų12588 Ų8854%0.54340%0.402SS..Hα-helixtrans-57.8-44.1175.3-73.6165.3-175.6161.30111.2E505 E512 Q513E505-K509 WeakPolarHBondContact O-CG 3.49Å; E505-K509 PolarHBondContact O-N 2.85Å; E505-K509 IonicContact OE2-NZ 2.68Å; K509-E512 PolarHBondContact O-N 3.24Å; K509-Q513 WeakPolarHBondContact O-CG 3.28Å; K509-Q513 PolarHBondContact O-N 3.43Å; K509-Q513 VanDerWaalsContact O-N 3.09Å
510R83.6Confident82Confident125 Ų12589.4 Ų89.447%0.47241%0.409SS..Hα-helixtrans-64.7-42.7174.2-74.4178.1-80.5172.6-14.2113E506 R507 R508 Q513 L514E506-R510 WeakPolarHBondContact O-CG 3.12Å; E506-R510 PolarHBondContact O-N 3.13Å; E506-R510 VanDerWaalsContact O-N 3.16Å; E506-R510 PolarHBondContact O-NE 2.7Å; E506-R510 IonicContact OE2-NH2 2.91Å; R507-R510 PolarHBondContact O-N 3.04Å; R508-R510 VanDerWaalsContact C-N 3.31Å; R508-R510 PolarHBondContact O-N 3.49Å; R510-Q513 PolarHBondContact O-N 3.07Å; R510-L514 WeakPolarHBondContact O-CB 3.5Å; R510-L514 WeakPolarHBondContact O-CG 3.47Å; R510-L514 PolarHBondContact O-N 2.72Å
511A78.3Confident82Confident34 Ų3494.5 Ų94.528%0.28143%0.429SS..Hα-helixtrans-65.1-37.3177.600000112.3R507 R508 R515R507-A511 WeakPolarHBondContact O-CB 3.25Å; R507-A511 PolarHBondContact O-N 2.83Å; R508-A511 PolarHBondContact O-N 3.28Å; A511-R515 VanDerWaalsContact O-CB 3.24Å; A511-R515 WeakPolarHBondContact O-CB 3.43Å; A511-R515 PolarHBondContact O-N 3.06Å
512E79.6Confident81.9Confident93 Ų9397.3 Ų97.344%0.43544%0.442SS..Hα-helixtrans-68.5-39.9175.6-166.2-174.9145.800112.1R508 K509 R515 K516R508-E512 PolarHBondContact O-N 3.4Å; K509-E512 PolarHBondContact O-N 3.24Å; E512-R515 PolarHBondContact O-N 3.4Å; E512-K516 WeakPolarHBondContact O-CG 3.45Å; E512-K516 PolarHBondContact O-N 3.11Å; E512-K516 WeakPolarHBondContact OE1-CE 3.35Å; E512-K516 IonicContact OE1-NZ 2.72Å; E512-K516 PolarHBondContact OE1-NZ 3.31Å
513Q86.2Confident81.4Confident124 Ų12497.5 Ų97.558%0.57944%0.44SS*.Hα-helixtrans-60.3-53171.9-74.6171.5-24.300111.3K509 R510 R515 K516 E517K509-Q513 WeakPolarHBondContact O-CG 3.28Å; K509-Q513 PolarHBondContact O-N 3.43Å; K509-Q513 VanDerWaalsContact O-N 3.09Å; R510-Q513 PolarHBondContact O-N 3.07Å; Q513-R515 VanDerWaalsContact C-N 3.25Å; Q513-R515 PolarHBondContact O-N 3.15Å; Q513-K516 PolarHBondContact O-N 3.03Å; Q513-K516 VanDerWaalsContact O-N 3.15Å; Q513-E517 PolarHBondContact O-N 2.99Å
514L81.9Confident81Confident90 Ų9099.3 Ų99.347%0.47145%0.448SS..Hα-helixtrans-56.9-40.3176.8-74.8171.1000111.8R510 L518R510-L514 WeakPolarHBondContact O-CB 3.5Å; R510-L514 WeakPolarHBondContact O-CG 3.47Å; R510-L514 PolarHBondContact O-N 2.72Å; L514-L518 WeakPolarHBondContact O-CB 3.46Å; L514-L518 PolarHBondContact O-N 3.43Å
515R79.8Confident80.7Confident120 Ų120104.6 Ų104.645%0.45347%0.467SS..Hα-helixtrans-63.5-45.3177.2-179.4176.8166.1-176.7-7.3111.9I42 A511 E512 Q513 L518 E519I42-R515 HydrophobicContact CG2-CB 4.21Å; A511-R515 VanDerWaalsContact O-CB 3.24Å; A511-R515 WeakPolarHBondContact O-CB 3.43Å; A511-R515 PolarHBondContact O-N 3.06Å; E512-R515 PolarHBondContact O-N 3.4Å; Q513-R515 VanDerWaalsContact C-N 3.25Å; Q513-R515 PolarHBondContact O-N 3.15Å; R515-L518 PolarHBondContact O-N 2.99Å; R515-E519 HydrophobicContact CG-CG 4.49Å; R515-E519 IonicContact CZ-OE1 3.66Å; R515-E519 VanDerWaalsContact CZ-OE1 3.28Å; R515-E519 IonicContact NE-OE1 2.72Å; R515-E519 PolarHBondContact NE-OE1 2.93Å; R515-E519 IonicContact NH2-OE1 3.66Å; R515-E519 PolarHBondContact NH2-OE1 2.82Å; R515-E519 WeakPolarHBondContact O-CG 3.48Å; R515-E519 PolarHBondContact O-N 2.89Å
516K82.5Confident80.2Confident106 Ų106103.8 Ų103.846%0.46147%0.465SS..Hα-helixtrans-61.7-47.9176.7-74.3174.4-173.4164.30111.6E512 Q513 L518 E519 E520E512-K516 WeakPolarHBondContact O-CG 3.45Å; E512-K516 PolarHBondContact O-N 3.11Å; E512-K516 WeakPolarHBondContact OE1-CE 3.35Å; E512-K516 IonicContact OE1-NZ 2.72Å; E512-K516 PolarHBondContact OE1-NZ 3.31Å; Q513-K516 PolarHBondContact O-N 3.03Å; Q513-K516 VanDerWaalsContact O-N 3.15Å; K516-L518 PolarHBondContact O-N 2.94Å; K516-E519 PolarHBondContact O-N 3.14Å; K516-E520 WeakPolarHBondContact O-CB 3.08Å; K516-E520 WeakPolarHBondContact O-CG 3.33Å; K516-E520 PolarHBondContact O-N 2.66Å
517E85.9Confident79.5Confident86 Ų86101.8 Ų101.840%0.40246%0.458SS..Hα-helixtrans-56.7-33.9174.9-74.2-172.7-150.300112.9Q513 K521Q513-E517 PolarHBondContact O-N 2.99Å; E517-K521 WeakPolarHBondContact O-CB 3.46Å; E517-K521 WeakPolarHBondContact O-CD 3.45Å; E517-K521 WeakPolarHBondContact O-CG 3.46Å; E517-K521 PolarHBondContact O-N 3.44Å; E517-K521 IonicContact OE2-NZ 2.72Å; E517-K521 PolarHBondContact OE2-NZ 2.89Å
518L80.4Confident78.9Confident76 Ų76103.3 Ų103.340%0.39847%0.472SS..Hα-helixtrans-82.5-34.2-175.7-150.6154.9000111.3L514 R515 K516 E522L514-L518 WeakPolarHBondContact O-CB 3.46Å; L514-L518 PolarHBondContact O-N 3.43Å; R515-L518 PolarHBondContact O-N 2.99Å; K516-L518 PolarHBondContact O-N 2.94Å; L518-E522 WeakPolarHBondContact O-CB 3.38Å; L518-E522 WeakPolarHBondContact O-CG 3.49Å; L518-E522 PolarHBondContact O-N 3.38Å
519E79.3Confident78.3Confident94 Ų9498.3 Ų98.344%0.43946%0.455SS..Hα-helixtrans-65.6-43.3167.4-72.8175.3-177.400111.1R515 K516 E522 Q523R515-E519 HydrophobicContact CG-CG 4.49Å; R515-E519 IonicContact CZ-OE1 3.66Å; R515-E519 VanDerWaalsContact CZ-OE1 3.28Å; R515-E519 IonicContact NE-OE1 2.72Å; R515-E519 PolarHBondContact NE-OE1 2.93Å; R515-E519 IonicContact NH2-OE1 3.66Å; R515-E519 PolarHBondContact NH2-OE1 2.82Å; R515-E519 WeakPolarHBondContact O-CG 3.48Å; R515-E519 PolarHBondContact O-N 2.89Å; K516-E519 PolarHBondContact O-N 3.14Å; E519-E522 PolarHBondContact O-N 3.01Å; E519-Q523 PolarHBondContact O-N 3.04Å
520E83.2Confident77.4Confident124 Ų12498.4 Ų98.458%0.57946%0.457SS*.Hα-helixtrans-60.2-50.7174.1-74.6170.5178.300111.7K516 E522 Q523 E524K516-E520 WeakPolarHBondContact O-CB 3.08Å; K516-E520 WeakPolarHBondContact O-CG 3.33Å; K516-E520 PolarHBondContact O-N 2.66Å; E520-E522 VanDerWaalsContact C-N 3.29Å; E520-E522 PolarHBondContact O-N 2.7Å; E520-Q523 PolarHBondContact O-N 3.23Å; E520-Q523 VanDerWaalsContact O-N 3.09Å; E520-E524 WeakPolarHBondContact O-CG 3.5Å; E520-E524 PolarHBondContact O-N 2.86Å
521K81.1Confident76.6Confident119 Ų119100.1 Ų100.152%0.51747%0.468SS..Hα-helixtrans-62.5-32.4176.3-74.7163.3-172.81520112.8E517 R525E517-K521 WeakPolarHBondContact O-CB 3.46Å; E517-K521 WeakPolarHBondContact O-CD 3.45Å; E517-K521 WeakPolarHBondContact O-CG 3.46Å; E517-K521 PolarHBondContact O-N 3.44Å; E517-K521 IonicContact OE2-NZ 2.72Å; E517-K521 PolarHBondContact OE2-NZ 2.89Å; K521-R525 WeakPolarHBondContact O-CB 3.3Å; K521-R525 PolarHBondContact O-N 2.71Å; K521-R525 VanDerWaalsContact O-N 3.13Å
522E79.4Confident76.2Confident76 Ų76101.8 Ų101.836%0.35547%0.468SS..Hα-helixtrans-69.4-39.9172.3-81.1-169.4162.500111.9R43 L518 E519 E520 R525 L526R43-E522 IonicContact CZ-OE1 2.63Å; R43-E522 IonicContact NH1-OE1 3.3Å; R43-E522 VanDerWaalsContact NH2-CD 3.3Å; R43-E522 IonicContact NH2-OE1 2.83Å; R43-E522 PolarHBondContact NH2-OE1 3.44Å; R43-E522 IonicContact NH2-OE2 3.02Å; L518-E522 WeakPolarHBondContact O-CB 3.38Å; L518-E522 WeakPolarHBondContact O-CG 3.49Å; L518-E522 PolarHBondContact O-N 3.38Å; E519-E522 PolarHBondContact O-N 3.01Å; E520-E522 VanDerWaalsContact C-N 3.29Å; E520-E522 PolarHBondContact O-N 2.7Å; E522-R525 PolarHBondContact O-N 3.14Å; E522-L526 VanDerWaalsContact O-CG 3.32Å; E522-L526 WeakPolarHBondContact O-CG 3.36Å; E522-L526 PolarHBondContact O-N 2.96Å
523Q73.8Confident75.6Confident104 Ų104103.2 Ų103.249%0.48648%0.483SS..Hα-helixtrans-66.8-46.1175.8-171.360.94600112E519 E520 R525 L526 D527E519-Q523 PolarHBondContact O-N 3.04Å; E520-Q523 PolarHBondContact O-N 3.23Å; E520-Q523 VanDerWaalsContact O-N 3.09Å; Q523-R525 VanDerWaalsContact C-N 3.26Å; Q523-R525 PolarHBondContact O-N 3.32Å; Q523-L526 WeakPolarHBondContact O-CB 3.49Å; Q523-L526 PolarHBondContact O-N 2.87Å; Q523-D527 PolarHBondContact NE2-OD1 3.08Å; Q523-D527 PolarHBondContact O-N 3.36Å
524E77.3Confident75.2Confident122 Ų12299.7 Ų99.757%0.5747%0.472SS*.Hα-helixtrans-55.1-43.2173.1-72.9-177.3161.500111.5E520 L526 D527 I528E520-E524 WeakPolarHBondContact O-CG 3.5Å; E520-E524 PolarHBondContact O-N 2.86Å; E524-L526 VanDerWaalsContact C-N 3.34Å; E524-L526 PolarHBondContact O-N 2.9Å; E524-D527 PolarHBondContact O-N 3.21Å; E524-I528 WeakPolarHBondContact O-CB 3.46Å; E524-I528 WeakPolarHBondContact O-CD1 3.34Å; E524-I528 VanDerWaalsContact O-CG1 3.24Å; E524-I528 WeakPolarHBondContact O-CG1 3.33Å; E524-I528 PolarHBondContact O-N 3.38Å
525R75.2Confident74.9Confident127 Ų127102.1 Ų102.148%0.47949%0.485SS..Hα-helixtrans-66-36.6177.8-153.1-166.287.1-127.4-1.6112.2K521 E522 Q523 E529K521-R525 WeakPolarHBondContact O-CB 3.3Å; K521-R525 PolarHBondContact O-N 2.71Å; K521-R525 VanDerWaalsContact O-N 3.13Å; E522-R525 PolarHBondContact O-N 3.14Å; Q523-R525 VanDerWaalsContact C-N 3.26Å; Q523-R525 PolarHBondContact O-N 3.32Å; R525-E529 IonicContact CZ-OE1 3.95Å; R525-E529 VanDerWaalsContact CZ-OE1 3.3Å; R525-E529 IonicContact NE-OE1 2.71Å; R525-E529 PolarHBondContact NE-OE1 2.88Å; R525-E529 IonicContact NH2-OE1 2.79Å; R525-E529 PolarHBondContact NH2-OE1 2.8Å; R525-E529 WeakPolarHBondContact O-CB 3.44Å; R525-E529 WeakPolarHBondContact O-CG 3.24Å; R525-E529 PolarHBondContact O-N 2.63Å
526L70.7Confident74.7Confident65 Ų65103.3 Ų103.334%0.3450%0.496SS..Hα-helixtrans-66.2-46.3174.8-73.1168.4000111.2E522 Q523 E524 I528 E529 E530E522-L526 VanDerWaalsContact O-CG 3.32Å; E522-L526 WeakPolarHBondContact O-CG 3.36Å; E522-L526 PolarHBondContact O-N 2.96Å; Q523-L526 WeakPolarHBondContact O-CB 3.49Å; Q523-L526 PolarHBondContact O-N 2.87Å; E524-L526 VanDerWaalsContact C-N 3.34Å; E524-L526 PolarHBondContact O-N 2.9Å; L526-I528 VanDerWaalsContact C-N 3.29Å; L526-I528 PolarHBondContact O-N 3.02Å; L526-E529 CarbonylContact O-C 3.59Å; L526-E529 WeakPolarHBondContact O-CA 3.32Å; L526-E529 WeakPolarHBondContact O-CB 3.22Å; L526-E529 PolarHBondContact O-N 3.45Å; L526-E530 WeakPolarHBondContact O-CG 3.42Å; L526-E530 PolarHBondContact O-N 2.84Å
527D70.3Confident74.5Confident74 Ų74102.2 Ų102.240%0.39649%0.492SS..Hα-helixtrans-63.7-33.9179.4-716.8000112.4Q523 E524Q523-D527 PolarHBondContact NE2-OD1 3.08Å; Q523-D527 PolarHBondContact O-N 3.36Å; E524-D527 PolarHBondContact O-N 3.21Å
528I68.8Low74.1Confident125 Ų125100.9 Ų100.964%0.64149%0.486SS*.Hα-helixtrans-70.7-41.6170.2-66.6164.5000110.6E524 L526 E530 K531E524-I528 WeakPolarHBondContact O-CB 3.46Å; E524-I528 WeakPolarHBondContact O-CD1 3.34Å; E524-I528 VanDerWaalsContact O-CG1 3.24Å; E524-I528 WeakPolarHBondContact O-CG1 3.33Å; E524-I528 PolarHBondContact O-N 3.38Å; L526-I528 VanDerWaalsContact C-N 3.29Å; L526-I528 PolarHBondContact O-N 3.02Å; I528-E530 PolarHBondContact O-N 3.16Å; I528-E530 VanDerWaalsContact O-N 3.17Å; I528-K531 PolarHBondContact O-N 2.89Å
529E63.7Low74Confident55 Ų5599.8 Ų99.826%0.25749%0.488SS..Hα-helixtrans-64.5-11.4174.8-81.9-177.8-146.200113.9R525 L526 Y532R525-E529 IonicContact CZ-OE1 3.95Å; R525-E529 VanDerWaalsContact CZ-OE1 3.3Å; R525-E529 IonicContact NE-OE1 2.71Å; R525-E529 PolarHBondContact NE-OE1 2.88Å; R525-E529 IonicContact NH2-OE1 2.79Å; R525-E529 PolarHBondContact NH2-OE1 2.8Å; R525-E529 WeakPolarHBondContact O-CB 3.44Å; R525-E529 WeakPolarHBondContact O-CG 3.24Å; R525-E529 PolarHBondContact O-N 2.63Å; L526-E529 CarbonylContact O-C 3.59Å; L526-E529 WeakPolarHBondContact O-CA 3.32Å; L526-E529 WeakPolarHBondContact O-CB 3.22Å; L526-E529 PolarHBondContact O-N 3.45Å; E529-Y532 WeakPolarHBondContact O-CE1 3.36Å; E529-Y532 PolarHBondContact O-OH 3Å
530E64.3Low74Confident127 Ų127100.8 Ų100.859%0.59349%0.492SS*.Hα-helixtrans-98-19.8175.9-56.1-127.6119.800114L526 I528 Y532 K545L526-E530 WeakPolarHBondContact O-CG 3.42Å; L526-E530 PolarHBondContact O-N 2.84Å; I528-E530 PolarHBondContact O-N 3.16Å; I528-E530 VanDerWaalsContact O-N 3.17Å; E530-Y532 PolarHBondContact O-N 3.45Å; E530-K545 IonicContact OE1-NZ 3.48Å; E530-K545 PolarHBondContact OE1-NZ 3.41Å
531K67.1Low73.7Confident161 Ų16195.3 Ų95.370%0.747%0.469SS*.  trans-95.580.2-179-70.1170.1-175.1162.30111.4I528I528-K531 PolarHBondContact O-N 2.89Å
532Y68.8Low73.7Confident69 Ų6995.1 Ų95.127%0.27147%0.468SS..  trans-74.8131175.2-52.6-59000111.7E529 E530 E537 E538E529-Y532 WeakPolarHBondContact O-CE1 3.36Å; E529-Y532 PolarHBondContact O-OH 3Å; E530-Y532 PolarHBondContact O-N 3.45Å; Y532-E537 HydrophobicContact CD1-CB 4.25Å; Y532-E538 HydrophobicContact CD2-CB 3.78Å; Y532-E538 HydrophobicContact CD2-CG 3.66Å; Y532-E538 HydrophobicContact CE2-CB 4.49Å; Y532-E538 HydrophobicContact CE2-CG 4.1Å; Y532-E538 HydrophobicContact CG-CB 3.81Å; Y532-E538 HydrophobicContact CG-CG 4.23Å
533T68.7Low73.9Confident123 Ų12395 Ų9576%0.75547%0.473SS*.SBendtrans-93.7-11.9177.271.90000112.9E537T533-E537 WeakPolarHBondContact CA-OE2 3.41Å; T533-E537 WeakPolarHBondContact CB-OE2 3.34Å; T533-E537 PolarHBondContact N-OE2 2.89Å; T533-E537 PolarHBondContact OG1-OE2 3Å
534S77.3Confident74.3Confident50 Ų5096.3 Ų96.335%0.3548%0.477SS..SBendtrans-146.8157.9175.569.10000113.3Q536 E537 E538S534-Q536 PolarHBondContact O-N 2.99Å; S534-E537 PolarHBondContact N-OE2 3.07Å; S534-E537 PolarHBondContact O-N 3.37Å; S534-E537 VanDerWaalsContact O-N 3.15Å; S534-E537 WeakPolarHBondContact OG-CG 3.33Å; S534-E537 PolarHBondContact OG-N 3.48Å; S534-E538 PolarHBondContact O-N 3.39Å
535L75.3Confident74.4Confident142 Ų14294.1 Ų94.174%0.74347%0.466SS*.Hα-helixtrans-57.5-30.2171.7-78160.5000112.9A539L535-A539 WeakPolarHBondContact O-CB 3.4Å; L535-A539 PolarHBondContact O-N 3.31Å
536Q76.2Confident74.7Confident144 Ų14493.9 Ų93.967%0.67347%0.473SS*.Hα-helixtrans-68.6-43.9177.2-163.588.9-6.500110.9S534 Q540S534-Q536 PolarHBondContact O-N 2.99Å; Q536-Q540 WeakPolarHBondContact O-CG 3.25Å; Q536-Q540 PolarHBondContact O-N 2.81Å; Q536-Q540 VanDerWaalsContact O-N 3.1Å
537E77.8Confident75.3Confident83 Ų8397.6 Ų97.639%0.38849%0.487SS..Hα-helixtrans-67.4-41173.8-72.4176.9157.500111.7Y532 T533 S534 A539 Q540 G541Y532-E537 HydrophobicContact CD1-CB 4.25Å; T533-E537 WeakPolarHBondContact CA-OE2 3.41Å; T533-E537 WeakPolarHBondContact CB-OE2 3.34Å; T533-E537 PolarHBondContact N-OE2 2.89Å; T533-E537 PolarHBondContact OG1-OE2 3Å; S534-E537 PolarHBondContact N-OE2 3.07Å; S534-E537 PolarHBondContact O-N 3.37Å; S534-E537 VanDerWaalsContact O-N 3.15Å; S534-E537 WeakPolarHBondContact OG-CG 3.33Å; S534-E537 PolarHBondContact OG-N 3.48Å; E537-A539 VanDerWaalsContact C-N 3.33Å; E537-A539 PolarHBondContact O-N 2.83Å; E537-Q540 CarbonylContact O-C 3.59Å; E537-Q540 PolarHBondContact O-N 3.23Å; E537-G541 PolarHBondContact O-N 2.85Å
538E76.9Confident75.7Confident59 Ų59100.3 Ų100.328%0.27650%0.495SS..Hα-helixtrans-60.8-42.4175.9-174.6-176.5-173.400111.3Y532 S534 G541 K542Y532-E538 HydrophobicContact CD2-CB 3.78Å; Y532-E538 HydrophobicContact CD2-CG 3.66Å; Y532-E538 HydrophobicContact CE2-CB 4.49Å; Y532-E538 HydrophobicContact CE2-CG 4.1Å; Y532-E538 HydrophobicContact CG-CB 3.81Å; Y532-E538 HydrophobicContact CG-CG 4.23Å; S534-E538 PolarHBondContact O-N 3.39Å; E538-G541 PolarHBondContact O-N 2.95Å; E538-K542 HydrophobicContact CG-CD 4.12Å; E538-K542 HydrophobicContact CG-CG 4.5Å; E538-K542 WeakPolarHBondContact O-CB 3.34Å; E538-K542 VanDerWaalsContact O-CG 3.31Å; E538-K542 WeakPolarHBondContact O-CG 3.37Å; E538-K542 PolarHBondContact O-N 2.83Å; E538-K542 WeakPolarHBondContact OE1-CE 3.45Å; E538-K542 IonicContact OE1-NZ 2.59Å; E538-K542 PolarHBondContact OE1-NZ 3.39Å
539A77.9Confident76.2Confident53 Ų5398.6 Ų98.644%0.43849%0.49SS..Hα-helixtrans-63.3-40.8174.500000112.2L535 E537 T543L535-A539 WeakPolarHBondContact O-CB 3.4Å; L535-A539 PolarHBondContact O-N 3.31Å; E537-A539 VanDerWaalsContact C-N 3.33Å; E537-A539 PolarHBondContact O-N 2.83Å; A539-T543 WeakPolarHBondContact O-CB 3.49Å; A539-T543 PolarHBondContact O-N 2.57Å; A539-T543 PolarHBondContact O-OG1 2.79Å
540Q79.8Confident77.1Confident114 Ų114103.3 Ų103.353%0.53351%0.506SS..Hα-helixtrans-67.5-41.3174.8-71.1-178.720.100112.3Q536 E537 T543 K544Q536-Q540 WeakPolarHBondContact O-CG 3.25Å; Q536-Q540 PolarHBondContact O-N 2.81Å; Q536-Q540 VanDerWaalsContact O-N 3.1Å; E537-Q540 CarbonylContact O-C 3.59Å; E537-Q540 PolarHBondContact O-N 3.23Å; Q540-T543 WeakPolarHBondContact O-CB 3.41Å; Q540-T543 PolarHBondContact O-N 3.43Å; Q540-K544 WeakPolarHBondContact O-CG 3.31Å; Q540-K544 PolarHBondContact O-N 3.13Å
541G77.9Confident77.9Confident9 Ų9100.7 Ų100.79%0.09350%0.498CS..Hα-helixtrans-62.8-49.217600000111.9E537 E538 T543 K544 K545E537-G541 PolarHBondContact O-N 2.85Å; E538-G541 PolarHBondContact O-N 2.95Å; G541-T543 VanDerWaalsContact C-N 3.29Å; G541-T543 PolarHBondContact O-N 2.71Å; G541-K544 WeakPolarHBondContact O-CB 3.46Å; G541-K544 PolarHBondContact O-N 2.84Å; G541-K544 VanDerWaalsContact O-N 3.13Å; G541-K545 WeakPolarHBondContact O-CG 3.5Å; G541-K545 PolarHBondContact O-N 2.8Å
542K81Confident78.5Confident115 Ų11598.8 Ų98.850%0.549%0.494SS..Hα-helixtrans-59.2-38171.7-72.8176.4-176.5171.50112E538 K545 L546E538-K542 HydrophobicContact CG-CD 4.12Å; E538-K542 HydrophobicContact CG-CG 4.5Å; E538-K542 WeakPolarHBondContact O-CB 3.34Å; E538-K542 VanDerWaalsContact O-CG 3.31Å; E538-K542 WeakPolarHBondContact O-CG 3.37Å; E538-K542 PolarHBondContact O-N 2.83Å; E538-K542 WeakPolarHBondContact OE1-CE 3.45Å; E538-K542 IonicContact OE1-NZ 2.59Å; E538-K542 PolarHBondContact OE1-NZ 3.39Å; K542-K545 PolarHBondContact O-N 2.65Å; K542-L546 VanDerWaalsContact O-CB 3.25Å; K542-L546 WeakPolarHBondContact O-CB 3.37Å; K542-L546 PolarHBondContact O-N 3Å
543T83.7Confident79.1Confident74 Ų7499.4 Ų99.445%0.45450%0.501SS..Hα-helixtrans-65.7-39.9174.3-590000112.2A539 Q540 G541 K547A539-T543 WeakPolarHBondContact O-CB 3.49Å; A539-T543 PolarHBondContact O-N 2.57Å; A539-T543 PolarHBondContact O-OG1 2.79Å; Q540-T543 WeakPolarHBondContact O-CB 3.41Å; Q540-T543 PolarHBondContact O-N 3.43Å; G541-T543 VanDerWaalsContact C-N 3.29Å; G541-T543 PolarHBondContact O-N 2.71Å; T543-K547 WeakPolarHBondContact O-CG 3.39Å; T543-K547 PolarHBondContact O-N 3.37Å
544K81.4Confident79.8Confident131 Ų13196.5 Ų96.557%0.5748%0.48SS*.Hα-helixtrans-65-47.1173-72.7175.4-179.6177.50111.5Q540 G541 L546 K547 K548Q540-K544 WeakPolarHBondContact O-CG 3.31Å; Q540-K544 PolarHBondContact O-N 3.13Å; G541-K544 WeakPolarHBondContact O-CB 3.46Å; G541-K544 PolarHBondContact O-N 2.84Å; G541-K544 VanDerWaalsContact O-N 3.13Å; K544-L546 VanDerWaalsContact C-N 3.34Å; K544-L546 PolarHBondContact O-N 2.87Å; K544-K547 PolarHBondContact O-N 2.84Å; K544-K548 PolarHBondContact O-N 2.75Å
545K80.3Confident79.8Confident76 Ų7695.8 Ų95.833%0.3348%0.477SS..Hα-helixtrans-59.3-43.6175.7-69.9-174.2179.7-173.10110.9E530 G541 K542 K548 V549E530-K545 IonicContact OE1-NZ 3.48Å; E530-K545 PolarHBondContact OE1-NZ 3.41Å; G541-K545 WeakPolarHBondContact O-CG 3.5Å; G541-K545 PolarHBondContact O-N 2.8Å; K542-K545 PolarHBondContact O-N 2.65Å; K545-K548 PolarHBondContact O-N 3.36Å; K545-V549 WeakPolarHBondContact O-CG2 3.29Å; K545-V549 PolarHBondContact O-N 2.95Å
546L81.8Confident80Confident122 Ų12291.3 Ų91.364%0.63946%0.46SS*.Hα-helixtrans-61.6-43.9174.9-177.263.9000112.4K542 K544 V549 W550K542-L546 VanDerWaalsContact O-CB 3.25Å; K542-L546 WeakPolarHBondContact O-CB 3.37Å; K542-L546 PolarHBondContact O-N 3Å; K544-L546 VanDerWaalsContact C-N 3.34Å; K544-L546 PolarHBondContact O-N 2.87Å; L546-V549 PolarHBondContact O-N 3.42Å; L546-W550 VanDerWaalsContact O-CB 3.31Å; L546-W550 WeakPolarHBondContact O-CB 3.49Å; L546-W550 PolarHBondContact O-N 2.91Å
547K82.6Confident80.4Confident144 Ų14490.3 Ų90.363%0.62645%0.454SS*.Hα-helixtrans-60.6-44.3173.3-76.6-179.9178.3-176.10111.8T543 K544 W550 T551T543-K547 WeakPolarHBondContact O-CG 3.39Å; T543-K547 PolarHBondContact O-N 3.37Å; K544-K547 PolarHBondContact O-N 2.84Å; K547-W550 PolarHBondContact O-N 3.24Å; K547-T551 PolarHBondContact O-N 3.09Å; K547-T551 PolarHBondContact O-OG1 3.06Å; K547-T551 VanDerWaalsContact O-OG1 3.11Å
548K77.9Confident80.5Confident131 Ų13187 Ų8757%0.5744%0.44SS*.Hα-helixtrans-59.3-48.6177-172.1179.3-179.3-178.20111.4K544 K545 W550 T551 M552K544-K548 PolarHBondContact O-N 2.75Å; K545-K548 PolarHBondContact O-N 3.36Å; K548-W550 PolarHBondContact O-N 3.37Å; K548-T551 PolarHBondContact O-N 3.01Å; K548-M552 HydrophobicContact CG-SD 4.41Å; K548-M552 WeakPolarHBondContact O-CG 3.47Å; K548-M552 PolarHBondContact O-N 3.35Å
549V80.9Confident80.7Confident88 Ų8888.5 Ų88.553%0.53345%0.447SS..Hα-helixtrans-63.4-39.5176.8173.60000111.7K545 L546 M552 L553K545-V549 WeakPolarHBondContact O-CG2 3.29Å; K545-V549 PolarHBondContact O-N 2.95Å; L546-V549 PolarHBondContact O-N 3.42Å; V549-M552 PolarHBondContact O-N 3.46Å; V549-L553 WeakPolarHBondContact O-CB 3.32Å; V549-L553 PolarHBondContact O-N 2.87Å
550W82.5Confident80.8Confident155 Ų15592.6 Ų92.659%0.58746%0.458SS*.Hα-helixtrans-63.5-42.9175.7-174.893.7000112L546 K547 K548 L553 M554L546-W550 VanDerWaalsContact O-CB 3.31Å; L546-W550 WeakPolarHBondContact O-CB 3.49Å; L546-W550 PolarHBondContact O-N 2.91Å; K547-W550 PolarHBondContact O-N 3.24Å; K548-W550 PolarHBondContact O-N 3.37Å; W550-L553 PolarHBondContact O-N 3.07Å; W550-M554 HydrophobicContact CD2-CG 4.09Å; W550-M554 HydrophobicContact CE3-CG 4.08Å; W550-M554 HydrophobicContact CH2-CE 4.13Å; W550-M554 HydrophobicContact CH2-CG 4.02Å; W550-M554 HydrophobicContact CZ2-CE 3.37Å; W550-M554 HydrophobicContact CZ2-CG 4.03Å; W550-M554 HydrophobicContact CZ3-CG 4.04Å; W550-M554 WeakPolarHBondContact O-CG 3.26Å; W550-M554 PolarHBondContact O-N 3.29Å
551T79.8Confident81Confident71 Ų7189.9 Ų89.944%0.43646%0.456SS..Hα-helixtrans-62.8-43.4174-58.10000111.6P57 K547 K548 L553 M554 A555P57-T551 HydrophobicContact CB-CG2 4.37Å; K547-T551 PolarHBondContact O-N 3.09Å; K547-T551 PolarHBondContact O-OG1 3.06Å; K547-T551 VanDerWaalsContact O-OG1 3.11Å; K548-T551 PolarHBondContact O-N 3.01Å; T551-L553 VanDerWaalsContact C-N 3.34Å; T551-L553 PolarHBondContact O-N 2.86Å; T551-M554 PolarHBondContact O-N 3.37Å; T551-A555 WeakPolarHBondContact O-CB 3.49Å; T551-A555 PolarHBondContact O-N 3Å
552M79.1Confident81Confident122 Ų12290.4 Ų90.460%0.60146%0.457SS*.Hα-helixtrans-61.3-41.2174.8-69.7173.269.100112K548 V549 A555 A556K548-M552 HydrophobicContact CG-SD 4.41Å; K548-M552 WeakPolarHBondContact O-CG 3.47Å; K548-M552 PolarHBondContact O-N 3.35Å; V549-M552 PolarHBondContact O-N 3.46Å; M552-A555 PolarHBondContact O-N 3.24Å; M552-A556 PolarHBondContact O-N 3.39Å
553L83Confident80.9Confident82 Ų8288.9 Ų88.943%0.42945%0.453SS..Hα-helixtrans-67.4-36.8176.8178.4139.1000112.3V549 W550 T551 K557V549-L553 WeakPolarHBondContact O-CB 3.32Å; V549-L553 PolarHBondContact O-N 2.87Å; W550-L553 PolarHBondContact O-N 3.07Å; T551-L553 VanDerWaalsContact C-N 3.34Å; T551-L553 PolarHBondContact O-N 2.86Å; L553-K557 HydrophobicContact CD2-CD 3.97Å; L553-K557 WeakPolarHBondContact O-CB 3.49Å; L553-K557 VanDerWaalsContact O-CG 3.3Å; L553-K557 WeakPolarHBondContact O-CG 3.47Å; L553-K557 PolarHBondContact O-N 2.93Å
554M82.8Confident80.6Confident62 Ų6290.5 Ų90.531%0.30546%0.456SS..Hα-helixtrans-70.3-34.4172.8-70-54.3-169.900112.3P57 W550 T551 K557 S558P57-M554 HydrophobicContact CG-CB 4.48Å; W550-M554 HydrophobicContact CD2-CG 4.09Å; W550-M554 HydrophobicContact CE3-CG 4.08Å; W550-M554 HydrophobicContact CH2-CE 4.13Å; W550-M554 HydrophobicContact CH2-CG 4.02Å; W550-M554 HydrophobicContact CZ2-CE 3.37Å; W550-M554 HydrophobicContact CZ2-CG 4.03Å; W550-M554 HydrophobicContact CZ3-CG 4.04Å; W550-M554 WeakPolarHBondContact O-CG 3.26Å; W550-M554 PolarHBondContact O-N 3.29Å; T551-M554 PolarHBondContact O-N 3.37Å; M554-K557 PolarHBondContact O-N 3.49Å; M554-K557 HydrophobicContact SD-CD 4.17Å; M554-S558 PolarHBondContact O-N 3.3Å
555A77.9Confident80.6Confident35 Ų3588.4 Ų88.429%0.28945%0.448SS..Hα-helixtrans-65.3-48174.100000111.5P57 T551 M552 K557 S558 E559P57-A555 HydrophobicContact CB-CB 4.15Å; P57-A555 VanDerWaalsContact CG-CA 3.41Å; P57-A555 HydrophobicContact CG-CB 3.69Å; T551-A555 WeakPolarHBondContact O-CB 3.49Å; T551-A555 PolarHBondContact O-N 3Å; M552-A555 PolarHBondContact O-N 3.24Å; A555-K557 VanDerWaalsContact C-N 3.29Å; A555-K557 PolarHBondContact O-N 3.43Å; A555-S558 PolarHBondContact O-N 2.85Å; A555-E559 WeakPolarHBondContact O-CB 3.46Å; A555-E559 PolarHBondContact O-N 3.13Å
556A79.1Confident80.2Confident48 Ų4886.1 Ų86.140%0.39744%0.438SS..Hα-helixtrans-59.4-38.5174.100000112.2M552 E559 M560M552-A556 PolarHBondContact O-N 3.39Å; A556-E559 PolarHBondContact O-N 3.04Å; A556-M560 WeakPolarHBondContact O-CB 3.22Å; A556-M560 VanDerWaalsContact O-CG 3.3Å; A556-M560 WeakPolarHBondContact O-CG 3.4Å; A556-M560 PolarHBondContact O-N 3.21Å
557K83.6Confident79.9Confident122 Ų12285 Ų8553%0.5343%0.43SS..Hα-helixtrans-67.1-44.1175.3-78.5178.4175.8-1750113.4L553 M554 A555 E559 M560 A561L553-K557 HydrophobicContact CD2-CD 3.97Å; L553-K557 WeakPolarHBondContact O-CB 3.49Å; L553-K557 VanDerWaalsContact O-CG 3.3Å; L553-K557 WeakPolarHBondContact O-CG 3.47Å; L553-K557 PolarHBondContact O-N 2.93Å; M554-K557 PolarHBondContact O-N 3.49Å; M554-K557 HydrophobicContact SD-CD 4.17Å; A555-K557 VanDerWaalsContact C-N 3.29Å; A555-K557 PolarHBondContact O-N 3.43Å; K557-E559 VanDerWaalsContact C-N 3.32Å; K557-M560 PolarHBondContact O-N 2.93Å; K557-A561 WeakPolarHBondContact O-CB 3.43Å; K557-A561 PolarHBondContact O-N 3.3Å
558S81.3Confident79.6Confident15 Ų1581.7 Ų81.711%0.10542%0.419CS..Hα-helixtrans-59.2-45.6172.1153.50000110.4E56 M554 A555 M560 A561 D562E56-S558 PolarHBondContact OE1-OG 3.35Å; M554-S558 PolarHBondContact O-N 3.3Å; A555-S558 PolarHBondContact O-N 2.85Å; S558-M560 PolarHBondContact O-N 2.8Å; S558-A561 PolarHBondContact O-N 3.47Å; S558-D562 WeakPolarHBondContact O-CB 3.34Å; S558-D562 PolarHBondContact O-N 3.48Å
559E80.4Confident79.3Confident90 Ų9079.9 Ų79.942%0.42141%0.409SS..Hα-helixtrans-63.1-45.2179.8-177.2165.5-146.700112.5R337 A555 A556 K557 D562 L563R337-E559 PolarHBondContact NH2-O 3.29Å; A555-E559 WeakPolarHBondContact O-CB 3.46Å; A555-E559 PolarHBondContact O-N 3.13Å; A556-E559 PolarHBondContact O-N 3.04Å; K557-E559 VanDerWaalsContact C-N 3.32Å; E559-D562 PolarHBondContact O-N 2.83Å; E559-L563 HydrophobicContact CG-CD1 4.05Å; E559-L563 HydrophobicContact CG-CG 4.42Å; E559-L563 WeakPolarHBondContact O-CB 3.26Å; E559-L563 VanDerWaalsContact O-CG 3.29Å; E559-L563 WeakPolarHBondContact O-CG 3.17Å; E559-L563 PolarHBondContact O-N 3.22Å
560M80.9Confident78.8Confident138 Ų13879.5 Ų79.568%0.6840%0.401SS*.Hα-helixtrans-60.6-43173.7-75.1-176.674.300112.3A556 K557 S558 L563 Q564A556-M560 WeakPolarHBondContact O-CB 3.22Å; A556-M560 VanDerWaalsContact O-CG 3.3Å; A556-M560 WeakPolarHBondContact O-CG 3.4Å; A556-M560 PolarHBondContact O-N 3.21Å; K557-M560 PolarHBondContact O-N 2.93Å; S558-M560 PolarHBondContact O-N 2.8Å; M560-L563 PolarHBondContact O-N 3Å; M560-Q564 WeakPolarHBondContact O-CB 3.35Å; M560-Q564 PolarHBondContact O-N 3.36Å
561A83.1Confident78.4Confident58 Ų5875.3 Ų75.348%0.47939%0.39SS..Hα-helixtrans-63-44.7177.600000111.6K557 S558 Q564 Q565K557-A561 WeakPolarHBondContact O-CB 3.43Å; K557-A561 PolarHBondContact O-N 3.3Å; S558-A561 PolarHBondContact O-N 3.47Å; A561-Q564 PolarHBondContact O-N 3.22Å; A561-Q565 WeakPolarHBondContact O-CB 3.36Å; A561-Q565 PolarHBondContact O-N 2.84Å
562D78.7Confident78.2Confident20 Ų2078.2 Ų78.211%0.10740%0.398CS..Hα-helixtrans-72-29.5178.4-82.513.6000112.7K59 R337 S558 E559 E566K59-D562 IonicContact NZ-OD2 3.57Å; K59-D562 PolarHBondContact NZ-OD2 2.92Å; R337-D562 PolarHBondContact NH1-O 2.95Å; S558-D562 WeakPolarHBondContact O-CB 3.34Å; S558-D562 PolarHBondContact O-N 3.48Å; E559-D562 PolarHBondContact O-N 2.83Å; D562-E566 WeakPolarHBondContact O-CB 3.48Å; D562-E566 PolarHBondContact O-N 3.26Å
563L78.3Confident77.6Confident83 Ų8374.1 Ų74.144%0.43539%0.387SS..Hα-helixtrans-69.3-43170.4-76.5170.7000111E559 M560 Q565 E566 H567E559-L563 HydrophobicContact CG-CD1 4.05Å; E559-L563 HydrophobicContact CG-CG 4.42Å; E559-L563 WeakPolarHBondContact O-CB 3.26Å; E559-L563 VanDerWaalsContact O-CG 3.29Å; E559-L563 WeakPolarHBondContact O-CG 3.17Å; E559-L563 PolarHBondContact O-N 3.22Å; M560-L563 PolarHBondContact O-N 3Å; L563-Q565 VanDerWaalsContact C-N 3.33Å; L563-Q565 PolarHBondContact O-N 2.8Å; L563-E566 PolarHBondContact O-N 3.48Å; L563-H567 VanDerWaalsContact O-CB 3.31Å; L563-H567 WeakPolarHBondContact O-CB 3.2Å; L563-H567 PolarHBondContact O-N 2.78Å
564Q78.3Confident77Confident107 Ų10775.4 Ų75.450%0.539%0.393SS..Hα-helixtrans-64.1-39.5174.8-17266.357.700111.4M560 A561 N568M560-Q564 WeakPolarHBondContact O-CB 3.35Å; M560-Q564 PolarHBondContact O-N 3.36Å; A561-Q564 PolarHBondContact O-N 3.22Å; Q564-N568 PolarHBondContact NE2-OD1 2.95Å; Q564-N568 WeakPolarHBondContact O-CB 3.4Å; Q564-N568 PolarHBondContact O-N 3.5Å; Q564-N568 PolarHBondContact O-OD1 3.38Å
565Q79.8Confident76.7Confident88 Ų8876.2 Ų76.241%0.41140%0.399SS..Hα-helixtrans-67.1-42.8176-166.4-176.835.100111.5A561 L563 N568 R569A561-Q565 WeakPolarHBondContact O-CB 3.36Å; A561-Q565 PolarHBondContact O-N 2.84Å; L563-Q565 VanDerWaalsContact C-N 3.33Å; L563-Q565 PolarHBondContact O-N 2.8Å; Q565-N568 PolarHBondContact O-N 3.01Å; Q565-R569 VanDerWaalsContact CD-NH2 3.3Å; Q565-R569 VanDerWaalsContact NE2-NH2 3.15Å; Q565-R569 WeakPolarHBondContact O-CB 3.44Å; Q565-R569 WeakPolarHBondContact O-CG 3.42Å; Q565-R569 PolarHBondContact O-N 2.94Å
566E72.6Confident76.5Confident27 Ų2778.2 Ų78.213%0.12640%0.402CS..Hα-helixtrans-60.3-46.6174.9-176.1160.5-144.700111.2R256 S334 R337 D562 L563 R569 E570R256-E566 IonicContact CZ-OE1 3.52Å; R256-E566 VanDerWaalsContact NH2-CG 3.33Å; R256-E566 IonicContact NH2-OE1 3.67Å; R256-E566 PolarHBondContact NH2-OE1 2.94Å; S334-E566 PolarHBondContact OG-OE1 3.22Å; R337-E566 WeakPolarHBondContact CD-OE2 3.43Å; R337-E566 IonicContact CZ-OE2 3.93Å; R337-E566 IonicContact NE-OE2 3.64Å; R337-E566 IonicContact NH1-OE2 3.14Å; R337-E566 PolarHBondContact NH1-OE2 3.07Å; D562-E566 WeakPolarHBondContact O-CB 3.48Å; D562-E566 PolarHBondContact O-N 3.26Å; L563-E566 PolarHBondContact O-N 3.48Å; E566-R569 PolarHBondContact O-N 3.18Å; E566-E570 WeakPolarHBondContact O-CG 3.45Å; E566-E570 PolarHBondContact O-N 3.49Å
567H76.2Confident76Confident98 Ų9877.9 Ų77.945%0.45439%0.394SS..Hα-helixtrans-62.6-43.8176.4-174.658.1000113L563 E570 I571L563-H567 VanDerWaalsContact O-CB 3.31Å; L563-H567 WeakPolarHBondContact O-CB 3.2Å; L563-H567 PolarHBondContact O-N 2.78Å; H567-E570 PolarHBondContact O-N 3.42Å; H567-I571 WeakPolarHBondContact NE2-CD1 3.2Å; H567-I571 WeakPolarHBondContact O-CG1 3.4Å; H567-I571 PolarHBondContact O-N 3.45Å
568N75.5Confident75.6Confident76 Ų7676.8 Ų76.841%0.40639%0.392SS..Hα-helixtrans-62.3-44.1176.1-70.80.9000111.3Q564 Q565 E570 I571 E572Q564-N568 PolarHBondContact NE2-OD1 2.95Å; Q564-N568 WeakPolarHBondContact O-CB 3.4Å; Q564-N568 PolarHBondContact O-N 3.5Å; Q564-N568 PolarHBondContact O-OD1 3.38Å; Q565-N568 PolarHBondContact O-N 3.01Å; N568-E570 VanDerWaalsContact C-N 3.29Å; N568-E570 PolarHBondContact O-N 3.14Å; N568-I571 PolarHBondContact O-N 3.37Å; N568-E572 WeakPolarHBondContact O-CG 3.35Å; N568-E572 PolarHBondContact O-N 2.97Å
569R72.3Confident75.6Confident93 Ų9382.7 Ų82.735%0.35141%0.412SS..Hα-helixtrans-62.4-34.7175.2-71.4170.8-177.5-169.66.5112D330 Q565 E566 G573D330-R569 IonicContact OD2-CZ 2.85Å; D330-R569 IonicContact OD2-NH1 3.61Å; D330-R569 PolarHBondContact OD2-NH1 2.81Å; D330-R569 IonicContact OD2-NH2 2.83Å; Q565-R569 VanDerWaalsContact CD-NH2 3.3Å; Q565-R569 VanDerWaalsContact NE2-NH2 3.15Å; Q565-R569 WeakPolarHBondContact O-CB 3.44Å; Q565-R569 WeakPolarHBondContact O-CG 3.42Å; Q565-R569 PolarHBondContact O-N 2.94Å; E566-R569 PolarHBondContact O-N 3.18Å; R569-G573 PolarHBondContact O-N 2.9Å
570E68.8Low75.2Confident80 Ų8080.5 Ų80.537%0.37440%0.402SS..Hα-helixtrans-69.8-43.7174.4-76.2172.2-169.400112.3R256 E566 H567 N568 E572 G573 L574R256-E570 IonicContact CZ-OE1 2.79Å; R256-E570 IonicContact NH1-OE1 3.73Å; R256-E570 IonicContact NH2-OE1 2.89Å; R256-E570 PolarHBondContact NH2-OE1 2.93Å; E566-E570 WeakPolarHBondContact O-CG 3.45Å; E566-E570 PolarHBondContact O-N 3.49Å; H567-E570 PolarHBondContact O-N 3.42Å; N568-E570 VanDerWaalsContact C-N 3.29Å; N568-E570 PolarHBondContact O-N 3.14Å; E570-E572 VanDerWaalsContact C-N 3.34Å; E570-E572 PolarHBondContact O-N 2.94Å; E570-G573 PolarHBondContact O-N 3.06Å; E570-L574 WeakPolarHBondContact O-CB 3.4Å; E570-L574 WeakPolarHBondContact O-CG 3.39Å; E570-L574 PolarHBondContact O-N 3.29Å
571I74.4Confident74.9Confident67 Ų6779.3 Ų79.334%0.34440%0.398SS..Hα-helixtrans-58.3-46.2172.9-71.9168.2000110.5H567 N568 G573 L574 L575H567-I571 WeakPolarHBondContact NE2-CD1 3.2Å; H567-I571 WeakPolarHBondContact O-CG1 3.4Å; H567-I571 PolarHBondContact O-N 3.45Å; N568-I571 PolarHBondContact O-N 3.37Å; I571-G573 PolarHBondContact O-N 3.4Å; I571-L574 PolarHBondContact O-N 3.21Å; I571-L575 HydrophobicContact CG2-CD1 3.74Å; I571-L575 HydrophobicContact CG2-CG 4.21Å; I571-L575 WeakPolarHBondContact O-CB 3.39Å; I571-L575 VanDerWaalsContact O-CG 3.25Å; I571-L575 WeakPolarHBondContact O-CG 3.46Å; I571-L575 PolarHBondContact O-N 2.94Å
572E75.5Confident74.8Confident132 Ų13278.9 Ų78.962%0.61739%0.391SS*.Hα-helixtrans-59.2-44.6176.4-74.7177.7168.800112.1N568 E570 L575 E576N568-E572 WeakPolarHBondContact O-CG 3.35Å; N568-E572 PolarHBondContact O-N 2.97Å; E570-E572 VanDerWaalsContact C-N 3.34Å; E570-E572 PolarHBondContact O-N 2.94Å; E572-L575 PolarHBondContact O-N 3.34Å; E572-E576 PolarHBondContact O-N 3.1Å
573G68Low75Confident35 Ų3585.9 Ų85.936%0.36142%0.417SS..Hα-helixtrans-62.8-42.2175.500000113.4R569 E570 I571 E576 N577R569-G573 PolarHBondContact O-N 2.9Å; E570-G573 PolarHBondContact O-N 3.06Å; I571-G573 PolarHBondContact O-N 3.4Å; G573-E576 PolarHBondContact O-N 3.32Å; G573-N577 WeakPolarHBondContact O-CB 3.42Å; G573-N577 PolarHBondContact O-N 3.28Å; G573-N577 PolarHBondContact O-ND2 3.05Å
574L70.4Confident75Confident109 Ų10985.1 Ų85.157%0.57141%0.411SS*.Hα-helixtrans-65.4-41.7175.1-71173.6000111.8E570 I571 N577 I578E570-L574 WeakPolarHBondContact O-CB 3.4Å; E570-L574 WeakPolarHBondContact O-CG 3.39Å; E570-L574 PolarHBondContact O-N 3.29Å; I571-L574 PolarHBondContact O-N 3.21Å; L574-N577 PolarHBondContact O-N 3.17Å; L574-I578 WeakPolarHBondContact O-CB 3.29Å; L574-I578 VanDerWaalsContact O-CG1 3.26Å; L574-I578 WeakPolarHBondContact O-CG1 3.31Å; L574-I578 PolarHBondContact O-N 3.31Å
575L75.4Confident75.2Confident79 Ų7985.1 Ų85.141%0.41441%0.414SS..Hα-helixtrans-64.3-39176.6-73.3172.7000112.1I571 E572 I578 R579I571-L575 HydrophobicContact CG2-CD1 3.74Å; I571-L575 HydrophobicContact CG2-CG 4.21Å; I571-L575 WeakPolarHBondContact O-CB 3.39Å; I571-L575 VanDerWaalsContact O-CG 3.25Å; I571-L575 WeakPolarHBondContact O-CG 3.46Å; I571-L575 PolarHBondContact O-N 2.94Å; E572-L575 PolarHBondContact O-N 3.34Å; L575-I578 PolarHBondContact O-N 2.91Å; L575-R579 VanDerWaalsContact O-CG 3.25Å; L575-R579 WeakPolarHBondContact O-CG 3.46Å; L575-R579 PolarHBondContact O-N 3.49Å
576E73.9Confident75.6Confident77 Ų7789.7 Ų89.736%0.3643%0.427SS..Hα-helixtrans-70.1-39.7175.8-163.757.1-150.600111.9E572 G573 I578 R579 Q580E572-E576 PolarHBondContact O-N 3.1Å; G573-E576 PolarHBondContact O-N 3.32Å; E576-I578 VanDerWaalsContact C-N 3.34Å; E576-I578 PolarHBondContact O-N 3.1Å; E576-R579 PolarHBondContact O-N 3.04Å; E576-R579 WeakPolarHBondContact OE2-CD 3.22Å; E576-R579 IonicContact OE2-CZ 3.89Å; E576-R579 IonicContact OE2-NE 2.69Å; E576-R579 IonicContact OE2-NH1 3.75Å; E576-R579 PolarHBondContact OE2-NH1 3.46Å; E576-Q580 WeakPolarHBondContact O-CB 3.44Å; E576-Q580 PolarHBondContact O-N 3.23Å
577N68.4Low76.2Confident42 Ų4293.4 Ų93.423%0.22545%0.447CS..Hα-helixtrans-57.6-45.1169.7-75-40.9000111.6T271 G573 L574 Q580 L581T271-N577 WeakPolarHBondContact CG2-OD1 3.38Å; G573-N577 WeakPolarHBondContact O-CB 3.42Å; G573-N577 PolarHBondContact O-N 3.28Å; G573-N577 PolarHBondContact O-ND2 3.05Å; L574-N577 PolarHBondContact O-N 3.17Å; N577-Q580 PolarHBondContact O-N 2.92Å; N577-L581 WeakPolarHBondContact O-CB 3.42Å; N577-L581 VanDerWaalsContact O-CG 3.31Å; N577-L581 WeakPolarHBondContact O-CG 3.49Å; N577-L581 PolarHBondContact O-N 2.97Å
578I76.4Confident76.7Confident98 Ų9893.4 Ų93.450%0.50345%0.448SS..Hα-helixtrans-62-43.8176.5-71.8164.2000111.2L574 L575 E576 Q580 S582L574-I578 WeakPolarHBondContact O-CB 3.29Å; L574-I578 VanDerWaalsContact O-CG1 3.26Å; L574-I578 WeakPolarHBondContact O-CG1 3.31Å; L574-I578 PolarHBondContact O-N 3.31Å; L575-I578 PolarHBondContact O-N 2.91Å; E576-I578 VanDerWaalsContact C-N 3.34Å; E576-I578 PolarHBondContact O-N 3.1Å; I578-Q580 VanDerWaalsContact C-N 3.35Å; I578-Q580 PolarHBondContact O-N 3.11Å; I578-S582 VanDerWaalsContact O-CB 3.24Å; I578-S582 WeakPolarHBondContact O-CB 3.34Å; I578-S582 PolarHBondContact O-N 3.02Å; I578-S582 PolarHBondContact O-OG 2.93Å
579R80.7Confident77.2Confident139 Ų13994.3 Ų94.353%0.52545%0.45SS..Hα-helixtrans-61.8-42.1175.9-72.5163.5-178.7168.73.1111.6L575 E576 S582 R583L575-R579 VanDerWaalsContact O-CG 3.25Å; L575-R579 WeakPolarHBondContact O-CG 3.46Å; L575-R579 PolarHBondContact O-N 3.49Å; E576-R579 PolarHBondContact O-N 3.04Å; E576-R579 WeakPolarHBondContact OE2-CD 3.22Å; E576-R579 IonicContact OE2-CZ 3.89Å; E576-R579 IonicContact OE2-NE 2.69Å; E576-R579 IonicContact OE2-NH1 3.75Å; E576-R579 PolarHBondContact OE2-NH1 3.46Å; R579-S582 PolarHBondContact O-N 2.67Å; R579-R583 WeakPolarHBondContact O-CG 3.25Å; R579-R583 PolarHBondContact O-N 3.18Å
580Q71.4Confident78Confident44 Ų4494.6 Ų94.621%0.20646%0.458CS..Hα-helixtrans-68.1-47.7179.2-173.7174-9.300111.7E576 N577 I578 S582 R583 E584E576-Q580 WeakPolarHBondContact O-CB 3.44Å; E576-Q580 PolarHBondContact O-N 3.23Å; N577-Q580 PolarHBondContact O-N 2.92Å; I578-Q580 VanDerWaalsContact C-N 3.35Å; I578-Q580 PolarHBondContact O-N 3.11Å; Q580-S582 VanDerWaalsContact C-N 3.29Å; Q580-S582 PolarHBondContact O-N 3.24Å; Q580-R583 WeakPolarHBondContact O-CB 3.16Å; Q580-R583 PolarHBondContact O-N 3.28Å; Q580-R583 VanDerWaalsContact O-N 3.13Å; Q580-E584 PolarHBondContact O-N 2.92Å
581L74.3Confident78.9Confident113 Ų11394.3 Ų94.359%0.59246%0.459SS*.Hα-helixtrans-59.7-39.2173.8-71.8171.1000111.5N577 R583 E584 L585N577-L581 WeakPolarHBondContact O-CB 3.42Å; N577-L581 VanDerWaalsContact O-CG 3.31Å; N577-L581 WeakPolarHBondContact O-CG 3.49Å; N577-L581 PolarHBondContact O-N 2.97Å; L581-R583 PolarHBondContact O-N 3.48Å; L581-E584 PolarHBondContact O-N 3.46Å; L581-L585 VanDerWaalsContact O-CB 3.29Å; L581-L585 WeakPolarHBondContact O-CB 3.34Å; L581-L585 PolarHBondContact O-N 3.31Å
582S82.1Confident79.3Confident49 Ų4994.3 Ų94.334%0.34346%0.459SS..Hα-helixtrans-64.4-37175.2-61.10000112.7I578 R579 Q580 R586I578-S582 VanDerWaalsContact O-CB 3.24Å; I578-S582 WeakPolarHBondContact O-CB 3.34Å; I578-S582 PolarHBondContact O-N 3.02Å; I578-S582 PolarHBondContact O-OG 2.93Å; R579-S582 PolarHBondContact O-N 2.67Å; Q580-S582 VanDerWaalsContact C-N 3.29Å; Q580-S582 PolarHBondContact O-N 3.24Å; S582-R586 WeakPolarHBondContact O-CB 3.25Å; S582-R586 VanDerWaalsContact O-CG 3.23Å; S582-R586 WeakPolarHBondContact O-CG 3.38Å; S582-R586 PolarHBondContact O-N 3.23Å; S582-R586 VanDerWaalsContact O-N 3.09Å
583R81.7Confident79.8Confident168 Ų16892.9 Ų92.963%0.63446%0.455SS*.Hα-helixtrans-68-42.3173.7-73.4171179.31632.6111.4R579 Q580 L581 R586 L587R579-R583 WeakPolarHBondContact O-CG 3.25Å; R579-R583 PolarHBondContact O-N 3.18Å; Q580-R583 WeakPolarHBondContact O-CB 3.16Å; Q580-R583 PolarHBondContact O-N 3.28Å; Q580-R583 VanDerWaalsContact O-N 3.13Å; L581-R583 PolarHBondContact O-N 3.48Å; R583-R586 PolarHBondContact O-N 3.28Å; R583-L587 PolarHBondContact O-N 2.88Å
584E78.4Confident80.7Confident66 Ų6696.6 Ų96.631%0.30847%0.467SS..Hα-helixtrans-68.3-41.5178.9-176.4150.2-158.100112K268 Q580 L581 L587 Q588K268-E584 WeakPolarHBondContact CE-OE2 3.37Å; K268-E584 IonicContact NZ-OE1 3.69Å; K268-E584 PolarHBondContact NZ-OE1 3.34Å; K268-E584 IonicContact NZ-OE2 2.57Å; K268-E584 PolarHBondContact NZ-OE2 3.34Å; Q580-E584 PolarHBondContact O-N 2.92Å; L581-E584 PolarHBondContact O-N 3.46Å; E584-L587 WeakPolarHBondContact O-CB 3.24Å; E584-L587 PolarHBondContact O-N 3.27Å; E584-Q588 WeakPolarHBondContact O-CG 3.23Å; E584-Q588 PolarHBondContact O-N 3.37Å
585L82.8Confident81.6Confident108 Ų10899.1 Ų99.157%0.56547%0.474SS*.Hα-helixtrans-60.3-46.7172.9-179.262.9000111.5L581 L587 Q588 M589L581-L585 VanDerWaalsContact O-CB 3.29Å; L581-L585 WeakPolarHBondContact O-CB 3.34Å; L581-L585 PolarHBondContact O-N 3.31Å; L585-L587 VanDerWaalsContact C-N 3.28Å; L585-L587 PolarHBondContact O-N 3.3Å; L585-Q588 PolarHBondContact O-N 2.9Å; L585-M589 HydrophobicContact CD1-CG 4.34Å; L585-M589 HydrophobicContact CD1-SD 4.42Å; L585-M589 HydrophobicContact CG-CG 4.46Å; L585-M589 HydrophobicContact CG-SD 4.08Å; L585-M589 WeakPolarHBondContact O-CB 3.26Å; L585-M589 VanDerWaalsContact O-CG 3.32Å; L585-M589 WeakPolarHBondContact O-CG 3.5Å; L585-M589 PolarHBondContact O-N 2.85Å
586R88.3Confident81.9Confident183 Ų18398.2 Ų98.269%0.69147%0.469SS*.Hα-helixtrans-60.1-37.4175.3-74.9173.9-168.2-1794.2112.6S582 R583 L590S582-R586 WeakPolarHBondContact O-CB 3.25Å; S582-R586 VanDerWaalsContact O-CG 3.23Å; S582-R586 WeakPolarHBondContact O-CG 3.38Å; S582-R586 PolarHBondContact O-N 3.23Å; S582-R586 VanDerWaalsContact O-N 3.09Å; R583-R586 PolarHBondContact O-N 3.28Å; R586-L590 VanDerWaalsContact O-CB 3.26Å; R586-L590 WeakPolarHBondContact O-CB 3.42Å; R586-L590 PolarHBondContact O-N 2.89Å
587L86Confident82.6Confident105 Ų10598.2 Ų98.255%0.5548%0.475SS..Hα-helixtrans-66.6-44.5175.4179.764000111.5R583 E584 L585 L590 I591R583-L587 PolarHBondContact O-N 2.88Å; E584-L587 WeakPolarHBondContact O-CB 3.24Å; E584-L587 PolarHBondContact O-N 3.27Å; L585-L587 VanDerWaalsContact C-N 3.28Å; L585-L587 PolarHBondContact O-N 3.3Å; L587-L590 PolarHBondContact O-N 3.49Å; L587-I591 HydrophobicContact CD1-CD1 4.38Å; L587-I591 HydrophobicContact CG-CD1 4.18Å; L587-I591 VanDerWaalsContact O-CG1 3.3Å; L587-I591 WeakPolarHBondContact O-CG1 3.44Å; L587-I591 PolarHBondContact O-N 3.5Å
588Q85.6Confident83.3Confident99 Ų99103.9 Ų103.946%0.46350%0.5SS..Hα-helixtrans-62.3-46.4176.3-69.1-73.1-7.700111.5E584 L585 L590 I591 I592E584-Q588 WeakPolarHBondContact O-CG 3.23Å; E584-Q588 PolarHBondContact O-N 3.37Å; L585-Q588 PolarHBondContact O-N 2.9Å; Q588-L590 PolarHBondContact O-N 2.9Å; Q588-I591 PolarHBondContact O-N 2.93Å; Q588-I592 WeakPolarHBondContact O-CG1 3.36Å; Q588-I592 PolarHBondContact O-N 2.92Å
589M86.6Confident83.5Confident94 Ų94106.6 Ų106.646%0.46351%0.511SS..Hα-helixtrans-58.1-48.3174.3-70.11767200111.2L585 I591 I592 D593L585-M589 HydrophobicContact CD1-CG 4.34Å; L585-M589 HydrophobicContact CD1-SD 4.42Å; L585-M589 HydrophobicContact CG-CG 4.46Å; L585-M589 HydrophobicContact CG-SD 4.08Å; L585-M589 WeakPolarHBondContact O-CB 3.26Å; L585-M589 VanDerWaalsContact O-CG 3.32Å; L585-M589 WeakPolarHBondContact O-CG 3.5Å; L585-M589 PolarHBondContact O-N 2.85Å; M589-I591 VanDerWaalsContact C-N 3.26Å; M589-I591 PolarHBondContact O-N 3.38Å; M589-I592 CarbonylContact O-C 3.58Å; M589-I592 WeakPolarHBondContact O-CA 3.46Å; M589-I592 WeakPolarHBondContact O-CB 3.47Å; M589-I592 PolarHBondContact O-N 3.44Å; M589-D593 WeakPolarHBondContact O-CB 3.47Å; M589-D593 PolarHBondContact O-N 3.26Å
590L89.3Confident83.4Confident100 Ų100106.3 Ų106.352%0.52451%0.511SS..Hα-helixtrans-61.2-34.2178.6-169.5150.7000112.3R586 L587 Q588 N594R586-L590 VanDerWaalsContact O-CB 3.26Å; R586-L590 WeakPolarHBondContact O-CB 3.42Å; R586-L590 PolarHBondContact O-N 2.89Å; L587-L590 PolarHBondContact O-N 3.49Å; Q588-L590 PolarHBondContact O-N 2.9Å; L590-N594 WeakPolarHBondContact O-CB 3.38Å; L590-N594 PolarHBondContact O-N 2.85Å; L590-N594 VanDerWaalsContact O-N 3.14Å; L590-N594 PolarHBondContact O-ND2 2.96Å
591I86.5Confident83.8Confident73 Ų73106 Ų10637%0.37451%0.509SS..Hα-helixtrans-67-45.4172-68.1163.3000110.7L587 Q588 M589 N594 F595L587-I591 HydrophobicContact CD1-CD1 4.38Å; L587-I591 HydrophobicContact CG-CD1 4.18Å; L587-I591 VanDerWaalsContact O-CG1 3.3Å; L587-I591 WeakPolarHBondContact O-CG1 3.44Å; L587-I591 PolarHBondContact O-N 3.5Å; Q588-I591 PolarHBondContact O-N 2.93Å; M589-I591 VanDerWaalsContact C-N 3.26Å; M589-I591 PolarHBondContact O-N 3.38Å; I591-N594 PolarHBondContact O-N 3.24Å; I591-F595 HydrophobicContact CG2-CD2 4.17Å; I591-F595 WeakPolarHBondContact O-CB 3.14Å; I591-F595 WeakPolarHBondContact O-CD2 3.46Å; I591-F595 PolarHBondContact O-N 2.84Å
592I84.3Confident84.1Confident67 Ų67102.6 Ų102.634%0.34450%0.497SS..Hα-helixtrans-59.4-49.6177-69.5163.9000110.5Q588 M589 N594 F595 I596 Q601Q588-I592 WeakPolarHBondContact O-CG1 3.36Å; Q588-I592 PolarHBondContact O-N 2.92Å; M589-I592 CarbonylContact O-C 3.58Å; M589-I592 WeakPolarHBondContact O-CA 3.46Å; M589-I592 WeakPolarHBondContact O-CB 3.47Å; M589-I592 PolarHBondContact O-N 3.44Å; I592-N594 VanDerWaalsContact C-N 3.34Å; I592-N594 PolarHBondContact O-N 3.37Å; I592-F595 PolarHBondContact O-N 3.35Å; I592-I596 HydrophobicContact CB-CD1 4.43Å; I592-I596 HydrophobicContact CG1-CD1 4.11Å; I592-I596 HydrophobicContact CG2-CD1 4.29Å; I592-I596 WeakPolarHBondContact O-CA 3.44Å; I592-I596 WeakPolarHBondContact O-CB 3.32Å; I592-I596 PolarHBondContact O-N 2.84Å; I592-Q601 HydrophobicContact CG2-CG 4.13Å; I592-Q601 PolarHBondContact O-NE2 3.41Å
593D85.6Confident84Confident102 Ų102104 Ų10455%0.54550%0.5SS..Hα-helixtrans-62.1-36-178.2-63.4-23.9000113.2M589M589-D593 WeakPolarHBondContact O-CB 3.47Å; M589-D593 PolarHBondContact O-N 3.26Å
594N87.5Confident83.9Confident114 Ų11499.9 Ų99.961%0.6149%0.489SS*.Hα-helixtrans-90.5-25.6-177.8-75.8-87.4000114.2L590 I591 I592L590-N594 WeakPolarHBondContact O-CB 3.38Å; L590-N594 PolarHBondContact O-N 2.85Å; L590-N594 VanDerWaalsContact O-N 3.14Å; L590-N594 PolarHBondContact O-ND2 2.96Å; I591-N594 PolarHBondContact O-N 3.24Å; I592-N594 VanDerWaalsContact C-N 3.34Å; I592-N594 PolarHBondContact O-N 3.37Å
595F88.3Confident84Confident162 Ų162103.5 Ų103.571%0.71151%0.506SS*.Hα-helixtrans-118.1-13-171.6-66.1-85.3000115I591 I592I591-F595 HydrophobicContact CG2-CD2 4.17Å; I591-F595 WeakPolarHBondContact O-CB 3.14Å; I591-F595 WeakPolarHBondContact O-CD2 3.46Å; I591-F595 PolarHBondContact O-N 2.84Å; I592-F595 PolarHBondContact O-N 3.35Å
596I81.9Confident84Confident60 Ų60104.7 Ų104.731%0.30851%0.513SS..SBendtrans-114.8112.9177.8-52.1-176.2000109.1I592 Q601I592-I596 HydrophobicContact CB-CD1 4.43Å; I592-I596 HydrophobicContact CG1-CD1 4.11Å; I592-I596 HydrophobicContact CG2-CD1 4.29Å; I592-I596 WeakPolarHBondContact O-CA 3.44Å; I592-I596 WeakPolarHBondContact O-CB 3.32Å; I592-I596 PolarHBondContact O-N 2.84Å; I596-Q601 HydrophobicContact CB-CG 4.15Å; I596-Q601 HydrophobicContact CG2-CG 3.75Å; I596-Q601 PolarHBondContact O-NE2 3.22Å
597P88.8Confident83.7Confident76 Ų76101.2 Ų101.249%0.49450%0.5SS..  trans-57.7141.7176.9-23.431.8000112.4E599 Y600 Q601P597-E599 PolarHBondContact O-N 3.43Å; P597-E599 VanDerWaalsContact O-N 3.1Å; P597-Y600 HydrophobicContact CB-CD2 3.95Å; P597-Y600 HydrophobicContact CB-CE2 4.48Å; P597-Y600 HydrophobicContact CG-CD2 3.99Å; P597-Y600 HydrophobicContact CG-CE2 4.33Å; P597-Y600 PolarHBondContact O-N 3.19Å; P597-Q601 PolarHBondContact O-N 2.93Å
598Q83.3Confident83.7Confident162 Ų16298.2 Ų98.276%0.75749%0.487SS*.Hα-helixtrans-57.8-30.8-170.6-156168.92400113.7Y600 Q601 A602Q598-Y600 PolarHBondContact O-N 2.89Å; Q598-Q601 PolarHBondContact O-N 3.29Å; Q598-A602 PolarHBondContact O-N 2.92Å
599E80.5Confident83.6Confident154 Ų15496.4 Ų96.472%0.7248%0.478SS*.Hα-helixtrans-60.3-41.5173.4-62.7172.2-172.400112.6P597 M603P597-E599 PolarHBondContact O-N 3.43Å; P597-E599 VanDerWaalsContact O-N 3.1Å; E599-M603 WeakPolarHBondContact O-CB 3.41Å; E599-M603 PolarHBondContact O-N 3.5Å
600Y79.1Confident83.4Confident134 Ų13497.6 Ų97.653%0.52548%0.477SS..Hα-helixtrans-76.7-31.2177.1-65.5-67.6000112.1P597 Q598 M603 I604P597-Y600 HydrophobicContact CB-CD2 3.95Å; P597-Y600 HydrophobicContact CB-CE2 4.48Å; P597-Y600 HydrophobicContact CG-CD2 3.99Å; P597-Y600 HydrophobicContact CG-CE2 4.33Å; P597-Y600 PolarHBondContact O-N 3.19Å; Q598-Y600 PolarHBondContact O-N 2.89Å; Y600-M603 HydrophobicContact CD1-CE 4.42Å; Y600-M603 PolarHBondContact O-N 2.88Å; Y600-I604 WeakPolarHBondContact O-CD1 3.31Å; Y600-I604 VanDerWaalsContact O-CG1 3.26Å; Y600-I604 WeakPolarHBondContact O-CG1 3.48Å; Y600-I604 PolarHBondContact O-N 3.33Å
601Q78.3Confident82.9Confident37 Ų3794.4 Ų94.417%0.17346%0.461CS..Hα-helixtrans-61-54.2172.3-59-178.54.100110.2I592 I596 P597 Q598 M603 I604 E605I592-Q601 HydrophobicContact CG2-CG 4.13Å; I592-Q601 PolarHBondContact O-NE2 3.41Å; I596-Q601 HydrophobicContact CB-CG 4.15Å; I596-Q601 HydrophobicContact CG2-CG 3.75Å; I596-Q601 PolarHBondContact O-NE2 3.22Å; P597-Q601 PolarHBondContact O-N 2.93Å; Q598-Q601 PolarHBondContact O-N 3.29Å; Q601-M603 VanDerWaalsContact C-N 3.27Å; Q601-M603 PolarHBondContact O-N 3.41Å; Q601-I604 PolarHBondContact O-N 3.45Å; Q601-E605 WeakPolarHBondContact O-CG 3.39Å; Q601-E605 PolarHBondContact O-N 3.37Å
602A82.1Confident82.1Confident41 Ų4197.8 Ų97.834%0.33948%0.475SS..Hα-helixtrans-60.5-35.1177.200000112.4Q598 N606Q598-A602 PolarHBondContact O-N 2.92Å; A602-N606 WeakPolarHBondContact O-CB 3.48Å; A602-N606 PolarHBondContact O-N 2.84Å; A602-N606 PolarHBondContact O-ND2 2.89Å
603M78.8Confident80.7Confident80 Ų80100.6 Ų100.639%0.39449%0.491SS..Hα-helixtrans-62.2-48.7172.1-173.1-175.1-63.100111.5E599 Y600 Q601 N606 Y607E599-M603 WeakPolarHBondContact O-CB 3.41Å; E599-M603 PolarHBondContact O-N 3.5Å; Y600-M603 HydrophobicContact CD1-CE 4.42Å; Y600-M603 PolarHBondContact O-N 2.88Å; Q601-M603 VanDerWaalsContact C-N 3.27Å; Q601-M603 PolarHBondContact O-N 3.41Å; M603-N606 PolarHBondContact O-N 3.27Å; M603-Y607 HydrophobicContact CG-CD2 4.01Å; M603-Y607 HydrophobicContact CG-CE2 4.07Å; M603-Y607 WeakPolarHBondContact O-CD2 3.25Å; M603-Y607 PolarHBondContact O-N 3.47Å
604I79.3Confident79.5Confident80 Ų8098.8 Ų98.841%0.4148%0.48SS..Hα-helixtrans-60.5-48.7179.3-71.1163.9000110.5Y600 Q601 N606 Y607 V608 L619Y600-I604 WeakPolarHBondContact O-CD1 3.31Å; Y600-I604 VanDerWaalsContact O-CG1 3.26Å; Y600-I604 WeakPolarHBondContact O-CG1 3.48Å; Y600-I604 PolarHBondContact O-N 3.33Å; Q601-I604 PolarHBondContact O-N 3.45Å; I604-N606 VanDerWaalsContact C-N 3.32Å; I604-N606 PolarHBondContact O-N 3.24Å; I604-Y607 PolarHBondContact O-N 2.95Å; I604-Y607 VanDerWaalsContact O-N 3.1Å; I604-V608 HydrophobicContact CG2-CG2 3.8Å; I604-V608 WeakPolarHBondContact O-CB 3.42Å; I604-V608 VanDerWaalsContact O-CG2 3.22Å; I604-V608 WeakPolarHBondContact O-CG2 3.34Å; I604-V608 PolarHBondContact O-N 2.79Å; I604-L619 HydrophobicContact CG2-CD1 4.14Å
605E81.7Confident78.4Confident142 Ų14295.1 Ų95.166%0.66447%0.469SS*.Hα-helixtrans-56.3-43.3179.4-70.6179.1157.600112.6Q601 Y607 V608Q601-E605 WeakPolarHBondContact O-CG 3.39Å; Q601-E605 PolarHBondContact O-N 3.37Å; E605-Y607 VanDerWaalsContact C-N 3.29Å; E605-Y607 PolarHBondContact O-N 3.46Å; E605-V608 PolarHBondContact O-N 2.91Å
606N83.3Confident77.6Confident133 Ų13392.5 Ų92.571%0.71146%0.46SS*.Hα-helixtrans-68.8-21.3179.2-77.4-55.4000114.5A602 M603 I604A602-N606 WeakPolarHBondContact O-CB 3.48Å; A602-N606 PolarHBondContact O-N 2.84Å; A602-N606 PolarHBondContact O-ND2 2.89Å; M603-N606 PolarHBondContact O-N 3.27Å; I604-N606 VanDerWaalsContact C-N 3.32Å; I604-N606 PolarHBondContact O-N 3.24Å
607Y80.6Confident77.4Confident110 Ų11098 Ų9843%0.43148%0.476SS..Hα-helixtrans-107.9-3.4179.7-69.1-64.8000114.2M603 I604 E605 L619 K620M603-Y607 HydrophobicContact CG-CD2 4.01Å; M603-Y607 HydrophobicContact CG-CE2 4.07Å; M603-Y607 WeakPolarHBondContact O-CD2 3.25Å; M603-Y607 PolarHBondContact O-N 3.47Å; I604-Y607 PolarHBondContact O-N 2.95Å; I604-Y607 VanDerWaalsContact O-N 3.1Å; E605-Y607 VanDerWaalsContact C-N 3.29Å; E605-Y607 PolarHBondContact O-N 3.46Å; Y607-L619 WeakPolarHBondContact O-CA 3.45Å; Y607-K620 PolarHBondContact O-N 2.77Å
608V86Confident76.8Confident43 Ų4397.9 Ų97.926%0.26147%0.469SS..EExtended strand (participates in β ladder)trans-87.5137.6174.61610000110.2I604 E605 W617 Q618 L619I604-V608 HydrophobicContact CG2-CG2 3.8Å; I604-V608 WeakPolarHBondContact O-CB 3.42Å; I604-V608 VanDerWaalsContact O-CG2 3.22Å; I604-V608 WeakPolarHBondContact O-CG2 3.34Å; I604-V608 PolarHBondContact O-N 2.79Å; E605-V608 PolarHBondContact O-N 2.91Å; V608-W617 HydrophobicContact CG1-CB 4.09Å; V608-W617 HydrophobicContact CG1-CD2 3.88Å; V608-W617 HydrophobicContact CG1-CE3 3.22Å; V608-W617 HydrophobicContact CG1-CG 4.28Å; V608-W617 HydrophobicContact CG1-CZ3 3.85Å; V608-Q618 WeakPolarHBondContact CA-O 3.41Å; V608-L619 HydrophobicContact CG2-CB 4.44Å; V608-L619 HydrophobicContact CG2-CD1 3.79Å; V608-L619 HydrophobicContact CG2-CG 4.22Å
609H84.8Confident76.7Confident61 Ų6193.4 Ų93.428%0.28245%0.45SS..EExtended strand (participates in β ladder)trans-138.814717171.3-58.4000110.5W617 Q618 K620H609-W617 VanDerWaalsContact C-CE3 3.42Å; H609-Q618 VanDerWaalsContact CE1-CB 3.46Å; H609-Q618 WeakPolarHBondContact CE1-CB 3.44Å; H609-Q618 PolarHBondContact N-O 3Å; H609-Q618 PolarHBondContact ND1-O 3.38Å; H609-Q618 PolarHBondContact O-N 2.88Å; H609-K620 VanDerWaalsContact CG-CE 3.49Å; H609-K620 WeakPolarHBondContact ND1-CG 3.3Å
610W82.6Confident75.9Confident119 Ų11992.9 Ų92.945%0.45145%0.446SS..EExtended strand (participates in β ladder)trans-77.4128.9173.6-178.7-109.5000109.3G615 W617W610-G615 WeakPolarHBondContact CH2-O 3.3Å; W610-W617 HydrophobicContact CB-CD2 4.31Å; W610-W617 HydrophobicContact CB-CE3 3.89Å; W610-W617 HydrophobicContact CB-CH2 4.2Å; W610-W617 HydrophobicContact CB-CZ3 3.85Å; W610-W617 AromaticContact CE3-CD1 3.63Å; W610-W617 AromaticContact CE3-CD2 3.77Å; W610-W617 HydrophobicContact CE3-CD2 3.77Å; W610-W617 AromaticContact CE3-CE2 3.76Å; W610-W617 HydrophobicContact CE3-CE3 4.48Å; W610-W617 AromaticContact CE3-CG 3.74Å; W610-W617 HydrophobicContact CE3-CG 3.74Å; W610-W617 HydrophobicContact CE3-CZ2 4.49Å; W610-W617 AromaticContact CE3-NE1 3.62Å; W610-W617 AromaticContact CZ3-CD1 3.68Å; W610-W617 HydrophobicContact CZ3-CG 4.17Å; W610-W617 AromaticContact CZ3-NE1 3.79Å; W610-W617 VanDerWaalsContact N-CE3 3.3Å
611N77.9Confident74.9Confident32 Ų3288.5 Ų88.517%0.17143%0.434CS..EExtended strand (participates in β ladder)trans-103.9107.5173.8-178-38.5000108.9D613 I614 G615 E616 Q618N611-D613 VanDerWaalsContact C-N 3.29Å; N611-D613 PolarHBondContact O-N 2.71Å; N611-D613 WeakPolarHBondContact OD1-CB 3.43Å; N611-D613 PolarHBondContact OD1-N 2.86Å; N611-D613 VanDerWaalsContact OD1-N 3.08Å; N611-I614 HydrophobicContact CB-CD1 4.08Å; N611-I614 HydrophobicContact CB-CG1 3.82Å; N611-I614 PolarHBondContact OD1-N 3.01Å; N611-G615 WeakPolarHBondContact O-CA 3.38Å; N611-G615 PolarHBondContact O-N 3.46Å; N611-E616 PolarHBondContact N-O 3.34Å; N611-E616 PolarHBondContact O-N 3.09Å; N611-Q618 HydrophobicContact CB-CG 4.08Å; N611-Q618 PolarHBondContact ND2-OE1 2.87Å
612E70.5Confident73.6Confident145 Ų14591.3 Ų91.368%0.67845%0.454SS*.THydrogen-bonded Turntrans-69.1-21.8-175.4-66.5-168.7161.100114.2R298R298-E612 PolarHBondContact NH1-O 3.41Å
613D54.1Low72.2Confident125 Ų12592.7 Ų92.767%0.66847%0.465SS*.THydrogen-bonded Turntrans-75.9-37-178.7-62.6-41.9000111.8N611N611-D613 VanDerWaalsContact C-N 3.29Å; N611-D613 PolarHBondContact O-N 2.71Å; N611-D613 WeakPolarHBondContact OD1-CB 3.43Å; N611-D613 PolarHBondContact OD1-N 2.86Å; N611-D613 VanDerWaalsContact OD1-N 3.08Å
614I61Low71Confident64 Ų6496.8 Ų96.833%0.32848%0.477SS..THydrogen-bonded Turntrans-98.4-24.4178.368.2178.5000113.2N611 E616 Q618N611-I614 HydrophobicContact CB-CD1 4.08Å; N611-I614 HydrophobicContact CB-CG1 3.82Å; N611-I614 PolarHBondContact OD1-N 3.01Å; I614-E616 HydrophobicContact CD1-CB 3.98Å; I614-E616 HydrophobicContact CG1-CB 4.01Å; I614-E616 HydrophobicContact CG1-CG 4.44Å; I614-Q618 HydrophobicContact CD1-CG 3.89Å
615G63Low69.7Low37 Ų3795.8 Ų95.838%0.38148%0.475SS..THydrogen-bonded Turntrans7736.4-17700000113.7W610 N611W610-G615 WeakPolarHBondContact CH2-O 3.3Å; N611-G615 WeakPolarHBondContact O-CA 3.38Å; N611-G615 PolarHBondContact O-N 3.46Å
616E71.4Confident68.1Low108 Ų10892.2 Ų92.251%0.50548%0.476SS..EExtended strand (participates in β ladder)trans-140.4151.1-176.8-61.1-177.4177.300111.5N611 I614N611-E616 PolarHBondContact N-O 3.34Å; N611-E616 PolarHBondContact O-N 3.09Å; I614-E616 HydrophobicContact CD1-CB 3.98Å; I614-E616 HydrophobicContact CG1-CB 4.01Å; I614-E616 HydrophobicContact CG1-CG 4.44Å
617W77.8Confident66.5Low175 Ų17593.7 Ų93.766%0.66348%0.484SS*.EExtended strand (participates in β ladder)trans-77.3123.4172.6-72103000110.4V608 H609 W610V608-W617 HydrophobicContact CG1-CB 4.09Å; V608-W617 HydrophobicContact CG1-CD2 3.88Å; V608-W617 HydrophobicContact CG1-CE3 3.22Å; V608-W617 HydrophobicContact CG1-CG 4.28Å; V608-W617 HydrophobicContact CG1-CZ3 3.85Å; H609-W617 VanDerWaalsContact C-CE3 3.42Å; W610-W617 HydrophobicContact CB-CD2 4.31Å; W610-W617 HydrophobicContact CB-CE3 3.89Å; W610-W617 HydrophobicContact CB-CH2 4.2Å; W610-W617 HydrophobicContact CB-CZ3 3.85Å; W610-W617 AromaticContact CE3-CD1 3.63Å; W610-W617 AromaticContact CE3-CD2 3.77Å; W610-W617 HydrophobicContact CE3-CD2 3.77Å; W610-W617 AromaticContact CE3-CE2 3.76Å; W610-W617 HydrophobicContact CE3-CE3 4.48Å; W610-W617 AromaticContact CE3-CG 3.74Å; W610-W617 HydrophobicContact CE3-CG 3.74Å; W610-W617 HydrophobicContact CE3-CZ2 4.49Å; W610-W617 AromaticContact CE3-NE1 3.62Å; W610-W617 AromaticContact CZ3-CD1 3.68Å; W610-W617 HydrophobicContact CZ3-CG 4.17Å; W610-W617 AromaticContact CZ3-NE1 3.79Å; W610-W617 VanDerWaalsContact N-CE3 3.3Å
618Q77.9Confident64.9Low74 Ų7493.4 Ų93.435%0.34649%0.49SS..EExtended strand (participates in β ladder)trans-113.3135.9-179-70.5-168-37.500112.1V608 H609 N611 I614V608-Q618 WeakPolarHBondContact CA-O 3.41Å; H609-Q618 VanDerWaalsContact CE1-CB 3.46Å; H609-Q618 WeakPolarHBondContact CE1-CB 3.44Å; H609-Q618 PolarHBondContact N-O 3Å; H609-Q618 PolarHBondContact ND1-O 3.38Å; H609-Q618 PolarHBondContact O-N 2.88Å; N611-Q618 HydrophobicContact CB-CG 4.08Å; N611-Q618 PolarHBondContact ND2-OE1 2.87Å; I614-Q618 HydrophobicContact CD1-CG 3.89Å
619L80.1Confident63Low68 Ų6897.5 Ų97.536%0.35651%0.508SS..EExtended strand (participates in β ladder)trans-93119.4176.8-154.8133.2000109.9I604 Y607 V608 C621I604-L619 HydrophobicContact CG2-CD1 4.14Å; Y607-L619 WeakPolarHBondContact O-CA 3.45Å; V608-L619 HydrophobicContact CG2-CB 4.44Å; V608-L619 HydrophobicContact CG2-CD1 3.79Å; V608-L619 HydrophobicContact CG2-CG 4.22Å; L619-C621 WeakPolarHBondContact CD2-O 3.37Å; L619-C621 PolarHBondContact O-N 3.17Å; L619-C621 VanDerWaalsContact O-N 3.16Å
620K64.4Low60.9Low143 Ų143105.9 Ų105.962%0.62254%0.537SS*.SBendtrans-68.3-12.9-171.1-73.6-176174.4173.60115.1Y607 H609Y607-K620 PolarHBondContact O-N 2.77Å; H609-K620 VanDerWaalsContact CG-CE 3.49Å; H609-K620 WeakPolarHBondContact ND1-CG 3.3Å
621C56.9Low59Low42 Ų42109.1 Ų109.128%0.28455%0.554SS.*  trans-126.489.3-173.4-64.10000112.8L619 A623 Y624L619-C621 WeakPolarHBondContact CD2-O 3.37Å; L619-C621 PolarHBondContact O-N 3.17Å; L619-C621 VanDerWaalsContact O-N 3.16Å; C621-A623 PolarHBondContact O-N 2.64Å; C621-Y624 HydrophobicContact CB-CD2 4.36Å; C621-Y624 PolarHBondContact O-N 3.21Å
622V52.3Low57.3Low96 Ų96116.3 Ų116.358%0.58259%0.586SS**G310 helixtrans-59.3-18.3179.7-178.90000113.8Y624 T625 N628V622-Y624 PolarHBondContact O-N 3.35Å; V622-Y624 VanDerWaalsContact O-N 3.13Å; V622-T625 PolarHBondContact O-N 2.87Å; V622-T625 VanDerWaalsContact O-N 3.12Å; V622-T625 PolarHBondContact O-OG1 3.24Å; V622-N628 PolarHBondContact O-ND2 3.45Å
623A52Low55.7Low69 Ų69116 Ų11657%0.5760%0.595SS**G310 helixtrans-57.9-24.5-179.900000114.8C621C621-A623 PolarHBondContact O-N 2.64Å
624Y52.6Low55.1Low166 Ų166115.3 Ų115.365%0.65160%0.597SS**G310 helixtrans-101.87.4-179.4-60.5-73.4000114C621 V622C621-Y624 HydrophobicContact CB-CD2 4.36Å; C621-Y624 PolarHBondContact O-N 3.21Å; V622-Y624 PolarHBondContact O-N 3.35Å; V622-Y624 VanDerWaalsContact O-N 3.13Å
625T52.7Low54.3Low60 Ų60118.7 Ų118.737%0.36862%0.62SS.*SBendtrans-79.8138.8173.962.90000111V622 N627 N628V622-T625 PolarHBondContact O-N 2.87Å; V622-T625 VanDerWaalsContact O-N 3.12Å; V622-T625 PolarHBondContact O-OG1 3.24Å; T625-N627 PolarHBondContact O-N 3.15Å; T625-N628 PolarHBondContact O-N 2.91Å
626G47.4Very low53.2Low66 Ų66122.7 Ų122.768%0.6864%0.64SS**G310 helixtrans-57.2-22.2-163.200000116.9N628G626-N628 VanDerWaalsContact C-N 3.31Å; G626-N628 PolarHBondContact O-N 3.18Å
627N50.5Low51.6Low165 Ų165125.1 Ų125.188%0.88266%0.656SS**G310 helixtrans-73.3-17.6178.6-74.5-10.7000114.1T625T625-N627 PolarHBondContact O-N 3.15Å
628N47.2Very low50Low103 Ų103126.7 Ų126.755%0.55167%0.668SS**G310 helixtrans-96.4-9.4179.5-71.7-37.4000113.9V622 T625 G626 R630V622-N628 PolarHBondContact O-ND2 3.45Å; T625-N628 PolarHBondContact O-N 2.91Å; G626-N628 VanDerWaalsContact C-N 3.31Å; G626-N628 PolarHBondContact O-N 3.18Å; N628-R630 VanDerWaalsContact C-N 3.25Å; N628-R630 PolarHBondContact O-N 3.1Å
629M45Very low48.1Very low130 Ų130132.8 Ų132.864%0.6469%0.693SS**  trans-82.951.5-177.1-80.3-88-86.200113.5K631M629-K631 PolarHBondContact O-N 3.38Å
630R41.8Very low46.3Very low236 Ų236138.7 Ų138.789%0.89172%0.719SS**  trans-76.1101.8160.9-93.5-168174.5-151.8-0.2109N628 Q632N628-R630 VanDerWaalsContact C-N 3.25Å; N628-R630 PolarHBondContact O-N 3.1Å; R630-Q632 PolarHBondContact O-N 2.75Å
631K42.4Very low45.1Very low188 Ų188141.6 Ų141.682%0.81773%0.731SS**PPolyproline II helixtrans-54.9122.6171.2-72.2-176.3175.7-1790110M629 T633M629-K631 PolarHBondContact O-N 3.38Å; K631-T633 PolarHBondContact O-N 2.71Å
632Q41.8Very low44.2Very low182 Ų182146.2 Ų146.285%0.8575%0.753SS**PPolyproline II helixtrans-61.7130.9155.5-69.3-178.3-0.400107.6R630 P634R630-Q632 PolarHBondContact O-N 2.75Å; Q632-P634 VanDerWaalsContact O-CD 3.23Å; Q632-P634 WeakPolarHBondContact O-CD 3.1Å
633T37.1Very low44.1Very low139 Ų139146.8 Ų146.885%0.85376%0.759SS**PPolyproline II helixtrans-73118-177.1-370000110.4K631K631-T633 PolarHBondContact O-N 2.71Å
634P41.8Very low43.8Very low111 Ų111152.4 Ų152.472%0.72177%0.771SS**PPolyproline II helixtrans-75.3146.7167.1-10.129.3000109.7Q632Q632-P634 VanDerWaalsContact O-CD 3.23Å; Q632-P634 WeakPolarHBondContact O-CD 3.1Å
635V44.2Very low43.2Very low134 Ų134153.9 Ų153.981%0.81278%0.784SS**PPolyproline II helixtrans-63.2140.9178.6-177.80000109.9D637V635-D637 PolarHBondContact O-N 3.26Å
636P40.5Very low42.9Very low121 Ų121156.7 Ų156.779%0.78680%0.801SS**  trans-77112-175.829.7-34.8000112
637D36.7Very low42.9Very low160 Ų160159 Ų15986%0.85680%0.797SS**PPolyproline II helixtrans-84.3152164.2-108.5-41.4000112.2V635 K639V635-D637 PolarHBondContact O-N 3.26Å; D637-K639 PolarHBondContact O-N 2.93Å
638K44Very low42.8Very low207 Ų207156.5 Ų156.590%0.978%0.783SS**PPolyproline II helixtrans-71.7123.1-167.2-66.5171.4-178.3169.70111.8
639K39.4Very low42.8Very low202 Ų202155.8 Ų155.888%0.87879%0.787SS**PPolyproline II helixtrans-75.1122.1168.2-70.6-169.9173.7-167.20111.3D637D637-K639 PolarHBondContact O-N 2.93Å
640E41.3Very low42.7Very low193 Ų193156.5 Ų156.590%0.90279%0.788SS**PPolyproline II helixtrans-70.5152.2145.5-68.8-170.5141.100109.2
641K39.3Very low42.9Very low204 Ų204149.2 Ų149.289%0.88777%0.769SS**PPolyproline II helixtrans-97.1126.1-177.6-76.9-173.9173.1-173.20110.9
642D38.6Very low42.7Very low139 Ų139150.1 Ų150.174%0.74377%0.769SS**PPolyproline II helixtrans-82134.4166.9-157-12.1000109.8F644D642-F644 PolarHBondContact O-N 3.36Å
643P49.2Very low42.6Very low108 Ų108149.2 Ų149.270%0.70177%0.769SS**THydrogen-bonded Turntrans-79.73.8-167.8-17.733.8000117.6
644F47.4Very low42.6Very low186 Ų186146.3 Ų146.382%0.81676%0.759SS**THydrogen-bonded Turntrans-124.931.2-163.7-77.6-79.8000116.5D642D642-F644 PolarHBondContact O-N 3.36Å
645E39.7Very low42.5Very low197 Ų197150.7 Ų150.792%0.92176%0.763SS**  trans-87.7112.1171.4-149171.4-153.500110.9
646V46.7Very low42.7Very low120 Ų120148.4 Ų148.473%0.72775%0.75SS**  trans-94.2117.7-179.5-178.70000110.4L648V646-L648 PolarHBondContact O-N 3.37Å
647D47.3Very low42.7Very low114 Ų114150.5 Ų150.561%0.6175%0.749SS**  trans-78.5107.1-175.2-176.96.5000113.2S649 H650D647-S649 VanDerWaalsContact CG-OG 3.27Å; D647-S649 WeakPolarHBondContact OD1-CB 3.31Å; D647-S649 PolarHBondContact OD1-N 2.87Å; D647-S649 PolarHBondContact OD1-OG 2.82Å; D647-S649 PolarHBondContact OD2-OG 2.84Å; D647-H650 PolarHBondContact O-CE1 2.82Å; D647-H650 PolarHBondContact O-ND1 2.69Å
648L47.6Very low43.2Very low113 Ų113150.2 Ų150.259%0.59274%0.742SS**  trans-98.715176.4-66.4173.7000113.8V646 H650 V651V646-L648 PolarHBondContact O-N 3.37Å; L648-H650 PolarHBondContact O-N 3.13Å; L648-V651 HydrophobicContact CD2-CG2 4.46Å; L648-V651 PolarHBondContact O-N 2.97Å; L648-V651 VanDerWaalsContact O-N 3.1Å
649S47.1Very low43.1Very low88 Ų88143 Ų14362%0.61572%0.718SS**THydrogen-bonded Turntrans-58.4-15.417960.70000114.8D647 V651D647-S649 VanDerWaalsContact CG-OG 3.27Å; D647-S649 WeakPolarHBondContact OD1-CB 3.31Å; D647-S649 PolarHBondContact OD1-N 2.87Å; D647-S649 PolarHBondContact OD1-OG 2.82Å; D647-S649 PolarHBondContact OD2-OG 2.84Å; S649-V651 VanDerWaalsContact C-N 3.33Å; S649-V651 PolarHBondContact O-N 3.44Å
650H42.3Very low43.3Very low145 Ų145139.3 Ų139.367%0.67171%0.706SS**THydrogen-bonded Turntrans-79.8-5.9177.563.2-87.8000114.8D647 L648D647-H650 PolarHBondContact O-CE1 2.82Å; D647-H650 PolarHBondContact O-ND1 2.69Å; L648-H650 PolarHBondContact O-N 3.13Å
651V46.8Very low43.6Very low82 Ų82140.3 Ų140.350%0.49770%0.701SS.*SBendtrans-91.8-22.1-174.8-1780000113.5L648 S649L648-V651 HydrophobicContact CD2-CG2 4.46Å; L648-V651 PolarHBondContact O-N 2.97Å; L648-V651 VanDerWaalsContact O-N 3.1Å; S649-V651 VanDerWaalsContact C-N 3.33Å; S649-V651 PolarHBondContact O-N 3.44Å
652Y37.9Very low43.8Very low207 Ų207138 Ų13881%0.81269%0.693SS**  trans-124.2102.2-174.3-68.3-79.6000113.4
653L40.7Very low43.8Very low164 Ų164135.8 Ų135.886%0.85969%0.689SS**  trans-82114.3169.2-76.9164.6000110.7
654A36.9Very low43.4Very low78 Ų78138.1 Ų138.165%0.64569%0.694SS**  trans-85126.2171.600000111.4T656A654-T656 PolarHBondContact O-N 2.87Å
655Y39.5Very low43.2Very low203 Ų203137.7 Ų137.780%0.79670%0.697SS**  trans-8386.1173.1-76.9-91.2000111
656T49.1Very low43.1Very low86 Ų86137 Ų13753%0.52869%0.691SS.*  trans-90.6157.2163.557.70000110.7A654 E658 S659A654-T656 PolarHBondContact O-N 2.87Å; T656-E658 PolarHBondContact O-N 3.3Å; T656-E658 VanDerWaalsContact O-N 3.08Å; T656-S659 VanDerWaalsContact O-CB 3.27Å; T656-S659 WeakPolarHBondContact O-CB 3.32Å; T656-S659 PolarHBondContact O-N 2.87Å
657E39.2Very low42.6Very low165 Ų165139.8 Ų139.877%0.77170%0.701SS**Hα-helixtrans-59.2-23.2-177.9-66.6-170.7120.700114S659 M660 R661E657-S659 VanDerWaalsContact C-N 3.29Å; E657-S659 PolarHBondContact O-N 3.43Å; E657-M660 PolarHBondContact O-N 2.94Å; E657-R661 PolarHBondContact O-N 2.88Å
658E47.5Very low42Very low153 Ų153143.6 Ų143.672%0.71572%0.715SS**Hα-helixtrans-67.7-30.2175.2-157.6163.3-150.500112T656T656-E658 PolarHBondContact O-N 3.3Å; T656-E658 VanDerWaalsContact O-N 3.08Å
659S42.5Very low41.2Very low57 Ų57149.8 Ų149.840%0.39973%0.73SS.*Hα-helixtrans-71.9-39.6174.3-168.40000112.3T656 E657 R661 Q662 S663T656-S659 VanDerWaalsContact O-CB 3.27Å; T656-S659 WeakPolarHBondContact O-CB 3.32Å; T656-S659 PolarHBondContact O-N 2.87Å; E657-S659 VanDerWaalsContact C-N 3.29Å; E657-S659 PolarHBondContact O-N 3.43Å; S659-R661 VanDerWaalsContact C-N 3.35Å; S659-R661 PolarHBondContact O-N 2.91Å; S659-Q662 PolarHBondContact O-N 2.89Å; S659-S663 PolarHBondContact O-N 2.95Å
660M43.4Very low41.2Very low124 Ų124150.3 Ų150.361%0.61173%0.732SS**Hα-helixtrans-64.4-36.4175.4-82.6-148.8-72.100112.9E657 Q662 S663E657-M660 PolarHBondContact O-N 2.94Å; M660-Q662 VanDerWaalsContact C-N 3.31Å; M660-Q662 PolarHBondContact O-N 3.03Å; M660-S663 PolarHBondContact O-N 2.97Å
661R46.8Very low40.6Very low214 Ų214152.9 Ų152.981%0.80874%0.741SS**Hα-helixtrans-66.8-28.5176.7-79.7-174.5171.6178.10.5113.7E657 S659E657-R661 PolarHBondContact O-N 2.88Å; S659-R661 VanDerWaalsContact C-N 3.35Å; S659-R661 PolarHBondContact O-N 2.91Å
662Q42.9Very low39.7Very low154 Ų154153.1 Ų153.172%0.7275%0.752SS**Hα-helixtrans-78.7-26.7175.1-68.7-170.45.900113.2S659 M660S659-Q662 PolarHBondContact O-N 2.89Å; M660-Q662 VanDerWaalsContact C-N 3.31Å; M660-Q662 PolarHBondContact O-N 3.03Å
663S40.2Very low39.4Very low93 Ų93148.2 Ų148.265%0.6575%0.748SS**Hα-helixtrans-67-36.2-178.3-164.90000113.4S659 M660 M665S659-S663 PolarHBondContact O-N 2.95Å; M660-S663 PolarHBondContact O-N 2.97Å; S663-M665 VanDerWaalsContact C-N 3.26Å; S663-M665 PolarHBondContact O-N 2.59Å; S663-M665 VanDerWaalsContact O-N 3.15Å
664L39.3Very low39.2Very low157 Ų157150.6 Ų150.682%0.82275%0.751SS**THydrogen-bonded Turntrans-71.2-5.7-174.7-79.5166.6000116
665M43.5Very low39Very low177 Ų177150.8 Ų150.887%0.87276%0.76SS**THydrogen-bonded Turntrans-1126.9-177.7-82.3-165.416800115.3S663S663-M665 VanDerWaalsContact C-N 3.26Å; S663-M665 PolarHBondContact O-N 2.59Å; S663-M665 VanDerWaalsContact O-N 3.15Å
666K37.2Very low38.6Very low184 Ų184146 Ų14680%0.876%0.757SS**  trans-137.666.9179.1-74-172.4177.9173.10114.3
667L38.1Very low37.9Very low177 Ų177151 Ų15193%0.92777%0.771SS**  trans-113.464.9151.9-101168000110.2
668E32.9Very low37.7Very low194 Ų194149 Ų14991%0.90778%0.775SS**SBendtrans-152.5156.3155.5-121.5170.5-153.400112
669R32.5Very low37Very low243 Ų243145.5 Ų145.592%0.91778%0.78SS**  trans-103.5-174-153.5-124.3-174173.4-178.5-1.2112.2
670P45.6Very low36.3Very low100 Ų100154.3 Ų154.365%0.64981%0.805SS**  -104.7163.8-128.940.4-31.1000115.5
671K29.9Very low36.6Very low199 Ų199152.8 Ų152.887%0.86580%0.804SS**  173.3144.3120.9-94.8161.1-176-179.80115.6
672A29Very low36.1Very low87 Ų87151.2 Ų151.272%0.71980%0.803SS**  trans50112.3140.300000123.5
673S31.7Very low35.5Very low104 Ų104150.3 Ų150.373%0.72781%0.809SS**  81.6132.7125.377.70000122.5
674K34.6Very low35.1Very low214 Ų214150 Ų15093%0.9382%0.82SS**  trans55.2129.3150.6-66178.2177.4179.10119.4
675G32.9Very low34.8Very low81 Ų81153.6 Ų153.684%0.83582%0.822SS**  trans155.3110.5154.100000116
676S32.4Very low34.2Very low103 Ų103155.7 Ų155.772%0.7282%0.82SS**  trans-63.4157.9-17860.80000118.3
677K34.8Very low34Very low192 Ų192154.1 Ų154.184%0.83581%0.814SS**  trans72127.4140.6-77.6174.6178.5-177.40121.3
678S33.9Very low33.7Very low122 Ų122156.3 Ų156.385%0.85381%0.81SS**  trans62.9133.8137.863.20000121.9
679G33.7Very low33.6Very low80 Ų80151.9 Ų151.983%0.82580%0.8SS**  trans149.290.8153.600000117.8
680R27.6Very low33.6Very low241 Ų241146.4 Ų146.491%0.90979%0.794SS**  trans-71.1171.6148.7-108.5-166150.7170.1-4.7108.6
681P50.1Low33.2Very low93 Ų93150 Ų15060%0.60480%0.799SS**  cis-143.2-165.8-32.239.7-20.8000114
682K34.4Very low33.9Very low180 Ų180145.8 Ų145.878%0.78379%0.792SS**  trans85.9117.5142-84.2-178.6-177.2-177.80121.7
683T32.2Very low34.1Very low136 Ų136147.8 Ų147.883%0.83479%0.791SS**  trans56.5119.4131.262.20000121.4
684G31.4Very low34.3Very low85 Ų85148.4 Ų148.488%0.87679%0.791SS**  trans-159131161.100000111
685R31.6Very low34.4Very low234 Ų234143.8 Ų143.888%0.88378%0.78SS**  trans-119.9160.6-171-166.2-175.5-173.4-176.64.5109.1
686R32.7Very low34.6Very low220 Ų220146.9 Ų146.983%0.8378%0.776SS**  trans80153.1168.4-70.2-178.1171.7-176.4-2.1116.7
687K32.6Very low34.7Very low152 Ų152148.3 Ų148.366%0.66178%0.775SS**  cis-178.2144.4-26-146.5-174.6-170.7-175.20107.8
688R31.5Very low34.7Very low222 Ų222143.8 Ų143.884%0.83877%0.768SS**  trans63159.2166.5-68.9174.9172.9176.2-6.4114.2
689S30.3Very low34.6Very low101 Ų101145.1 Ų145.171%0.70677%0.765SS**  cis-137.9-163.1-11.446.30000107.2
690T31.9Very low34.9Very low128 Ų128149.2 Ų149.279%0.78577%0.767SS**  cis-155.2174.410.6-28.70000109
691K37.3Very low35.6Very low176 Ų176150.5 Ų150.577%0.76578%0.783SS**  trans-87.8161.6150.1-61.5-174.7173.7-173.50108.8
692P45.8Very low34.9Very low110 Ų110153.4 Ų153.471%0.71479%0.792SS**  -130.7148.481.141.6-29.1000110.7
693D33.4Very low34.9Very low130 Ų130151.9 Ų151.970%0.69579%0.792SS**  63.9137.398.4-55.8-33.2000112.6
694T36.3Very low35Very low117 Ų117152.8 Ų152.872%0.71879%0.79SS**  cis-169.113216.714.20000105.7
695V36.6Very low35.2Very low116 Ų116156.8 Ų156.870%0.70379%0.785SS**  102.8140.497.7156.80000114.7
696I36.3Very low35.5Very low147 Ų147152 Ų15275%0.75478%0.779SS**  trans68.8136.1161.5-79.8163000117.3
697D34.8Very low35.7Very low132 Ų132147.5 Ų147.571%0.70678%0.775SS**  cis-170.5162.4-19.7-138-25.5000110.4
698S34Very low35.9Very low98 Ų98147.1 Ų147.169%0.68578%0.784SS**  trans62.3157153.5790000119
699L32.4Very low36.2Very low149 Ų149141.4 Ų141.478%0.7878%0.78SS**  cis-124.3146.5-12.5-71.888.8000106.8
700L40.9Very low36.7Very low166 Ų166144.8 Ų144.887%0.86979%0.786SS**  4889.571.8-87.3174.5000115.8
701Q40.8Very low37.1Very low268 Ų268146.3 Ų146.3100%1.25279%0.786SS**  trans-146.30131.7-128.6175.817.700109.9

Retrieved 701 of 701 residues in 812.4 ms (Link to these results)

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