A0A093I470_STRCA Loading...

Zinc finger protein 330

AlphaFold DB , UniProt , Accession A0A093I470, Species STRCA (Struthio camelus australis), Gene n/a, Length 320 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
1M54.9Low78.6Confident219 Ų219138.5 Ų138.5100%1.07971%0.706SS**  0128.40-83.7160.567.100109.5K3M1-K3 PolarHBondContact O-N 3.28Å
2P64.7Low79.2Confident130 Ų130131.9 Ų131.984%0.84469%0.689SS**PPolyproline II helixtrans-56.5128.4169.8-17.329.2000108.8K4P2-K4 PolarHBondContact O-N 3.2Å
3K71.2Confident79.8Confident202 Ų202128.4 Ų128.488%0.87867%0.667SS**PPolyproline II helixtrans-55.4127.8179.6-69.1-177.3178.7179.60108.9M1 K5M1-K3 PolarHBondContact O-N 3.28Å; K3-K5 PolarHBondContact O-N 3.26Å; K3-K5 VanDerWaalsContact O-N 3.17Å
4K76.3Confident80.2Confident199 Ų199125.5 Ų125.587%0.86565%0.653SS**PPolyproline II helixtrans-52.1124.1176.6-76.9-178.4178.1177.10108.5P2 T6P2-K4 PolarHBondContact O-N 3.2Å; K4-T6 PolarHBondContact O-N 3.5Å
5K78.7Confident80.4Confident106 Ų106127.1 Ų127.146%0.46165%0.647SS.*PPolyproline II helixtrans-59.8136.2177.3-67.1177.5-179.6174.70108.6K3 R9 E13K3-K5 PolarHBondContact O-N 3.26Å; K3-K5 VanDerWaalsContact O-N 3.17Å; K5-R9 HydrophobicContact CB-CB 4.49Å; K5-E13 WeakPolarHBondContact CD-OE2 3.48Å; K5-E13 WeakPolarHBondContact CE-OE2 3.33Å; K5-E13 IonicContact NZ-OE1 3.78Å; K5-E13 PolarHBondContact NZ-OE1 3.32Å; K5-E13 IonicContact NZ-OE2 3.91Å; K5-E13 PolarHBondContact NZ-OE2 3.06Å
6T83.9Confident80.7Confident92 Ų92131.6 Ų131.656%0.56465%0.653SS**PPolyproline II helixtrans-62.4154.317460.60000110.3K4 A8 R9 K10K4-T6 PolarHBondContact O-N 3.5Å; T6-A8 PolarHBondContact O-N 2.94Å; T6-R9 PolarHBondContact O-N 2.81Å; T6-R9 WeakPolarHBondContact OG1-CB 3.43Å; T6-R9 PolarHBondContact OG1-N 2.93Å; T6-K10 PolarHBondContact O-N 2.82Å
7G87.9Confident81Confident63 Ų63130.5 Ų130.565%0.64965%0.646SS**Hα-helixtrans-56-37.4178.100000112.9K10 K11G7-K10 PolarHBondContact O-N 3.1Å; G7-K11 WeakPolarHBondContact O-CB 3.27Å; G7-K11 PolarHBondContact O-N 3.06Å
8A85.9Confident81.1Confident75 Ų75133.1 Ų133.162%0.6265%0.647SS**Hα-helixtrans-62.9-45.617400000112.4T6 K10 K11 A12T6-A8 PolarHBondContact O-N 2.94Å; A8-K10 PolarHBondContact O-N 3.35Å; A8-K11 PolarHBondContact O-N 2.77Å; A8-A12 PolarHBondContact O-N 2.84Å
9R84.9Confident81Confident163 Ų163130.3 Ų130.362%0.61563%0.633SS**Hα-helixtrans-64.5-40178-172.2173.5177.9178.90.7111.8K5 T6 A12 E13K5-R9 HydrophobicContact CB-CB 4.49Å; T6-R9 PolarHBondContact O-N 2.81Å; T6-R9 WeakPolarHBondContact OG1-CB 3.43Å; T6-R9 PolarHBondContact OG1-N 2.93Å; R9-A12 PolarHBondContact O-N 2.89Å; R9-E13 WeakPolarHBondContact O-CB 3.34Å; R9-E13 PolarHBondContact O-N 3.07Å
10K88.2Confident81Confident129 Ų129131.7 Ų131.756%0.56164%0.636SS**Hα-helixtrans-62.9-41.4174.2-170.2176.9-178.9-179.30111.8T6 G7 A8 N14T6-K10 PolarHBondContact O-N 2.82Å; G7-K10 PolarHBondContact O-N 3.1Å; A8-K10 PolarHBondContact O-N 3.35Å; K10-N14 WeakPolarHBondContact O-CB 3.44Å; K10-N14 VanDerWaalsContact O-CG 3.24Å; K10-N14 PolarHBondContact O-N 3.25Å; K10-N14 PolarHBondContact O-OD1 3.37Å
11K87.4Confident81Confident145 Ų145131.2 Ų131.263%0.6363%0.632SS**Hα-helixtrans-67-40.3177.4-169.4175.9-177.71790112.4G7 A8 R15G7-K11 WeakPolarHBondContact O-CB 3.27Å; G7-K11 PolarHBondContact O-N 3.06Å; A8-K11 PolarHBondContact O-N 2.77Å; K11-R15 WeakPolarHBondContact O-CB 3.37Å; K11-R15 PolarHBondContact O-N 3.5Å
12A86.1Confident82.2Confident60 Ų60122.1 Ų122.150%0.49659%0.588SS.*Hα-helixtrans-64.9-43.2176.700000111.9A8 R9 R15 R16A8-A12 PolarHBondContact O-N 2.84Å; R9-A12 PolarHBondContact O-N 2.89Å; A12-R15 PolarHBondContact O-N 3.38Å; A12-R16 PolarHBondContact O-N 3.33Å
13E87.2Confident82.7Confident86 Ų86123.6 Ų123.640%0.40258%0.577SS.*Hα-helixtrans-63.4-47177-171.4173.2-174.400111.8K5 R9 R15 R16 E17K5-E13 WeakPolarHBondContact CD-OE2 3.48Å; K5-E13 WeakPolarHBondContact CE-OE2 3.33Å; K5-E13 IonicContact NZ-OE1 3.78Å; K5-E13 PolarHBondContact NZ-OE1 3.32Å; K5-E13 IonicContact NZ-OE2 3.91Å; K5-E13 PolarHBondContact NZ-OE2 3.06Å; R9-E13 WeakPolarHBondContact O-CB 3.34Å; R9-E13 PolarHBondContact O-N 3.07Å; E13-R15 VanDerWaalsContact C-N 3.29Å; E13-R15 PolarHBondContact O-N 3.05Å; E13-R16 PolarHBondContact O-N 3.25Å; E13-E17 PolarHBondContact O-N 2.92Å
14N85.9Confident82.8Confident88 Ų88117.3 Ų117.347%0.47156%0.562SS.*Hα-helixtrans-60.9-37.2175.3-725.7000112.5K10 R18K10-N14 WeakPolarHBondContact O-CB 3.44Å; K10-N14 VanDerWaalsContact O-CG 3.24Å; K10-N14 PolarHBondContact O-N 3.25Å; K10-N14 PolarHBondContact O-OD1 3.37Å; N14-R18 WeakPolarHBondContact O-CB 3.31Å; N14-R18 PolarHBondContact O-N 2.7Å
15R83.1Confident82.8Confident150 Ų150110.4 Ų110.457%0.56654%0.539SS*.Hα-helixtrans-64.3-47.7175.6-174.1-167.8-63.8-103.34.9110.7K11 A12 E13 E17 R18 E19K11-R15 WeakPolarHBondContact O-CB 3.37Å; K11-R15 PolarHBondContact O-N 3.5Å; A12-R15 PolarHBondContact O-N 3.38Å; E13-R15 VanDerWaalsContact C-N 3.29Å; E13-R15 PolarHBondContact O-N 3.05Å; R15-E17 VanDerWaalsContact C-N 3.29Å; R15-E17 PolarHBondContact O-N 3.34Å; R15-R18 PolarHBondContact O-N 2.91Å; R15-E19 WeakPolarHBondContact CD-OE1 3.42Å; R15-E19 WeakPolarHBondContact CG-OE1 3.18Å; R15-E19 WeakPolarHBondContact O-CG 3.29Å; R15-E19 PolarHBondContact O-N 2.84Å
16R85.1Confident82.6Confident198 Ų198107.8 Ų107.875%0.74753%0.526SS*.Hα-helixtrans-61-39.4178.6-171.8177.7-177.5179.91.6112A12 E13 E19 K20A12-R16 PolarHBondContact O-N 3.33Å; E13-R16 PolarHBondContact O-N 3.25Å; R16-E19 PolarHBondContact O-N 3.24Å; R16-K20 WeakPolarHBondContact O-CB 3.16Å; R16-K20 PolarHBondContact O-N 3.02Å
17E84.9Confident81.9Confident114 Ų114107.1 Ų107.153%0.53353%0.53SS..Hα-helixtrans-65.7-44.3175.4-172.7171.1-16100111.8E13 R15 E19 K20 Q21E13-E17 PolarHBondContact O-N 2.92Å; R15-E17 VanDerWaalsContact C-N 3.29Å; R15-E17 PolarHBondContact O-N 3.34Å; E17-E19 PolarHBondContact O-N 2.91Å; E17-K20 WeakPolarHBondContact O-CB 3.49Å; E17-K20 PolarHBondContact O-N 3.4Å; E17-Q21 WeakPolarHBondContact O-CG 3.35Å; E17-Q21 PolarHBondContact O-N 2.95Å
18R82.6Confident81.5Confident177 Ų177110.9 Ų110.967%0.66854%0.535SS*.Hα-helixtrans-60.5-44.3174179.8-177.5-86.4-149.3-4.2111.8N14 R15 K20 Q21 I22N14-R18 WeakPolarHBondContact O-CB 3.31Å; N14-R18 PolarHBondContact O-N 2.7Å; R15-R18 PolarHBondContact O-N 2.91Å; R18-K20 VanDerWaalsContact C-N 3.3Å; R18-K20 PolarHBondContact O-N 3.38Å; R18-Q21 PolarHBondContact O-N 3.18Å; R18-I22 HydrophobicContact CG-CD1 3.86Å; R18-I22 HydrophobicContact CG-CG1 4.42Å; R18-I22 VanDerWaalsContact O-CG1 3.27Å; R18-I22 WeakPolarHBondContact O-CG1 3.44Å; R18-I22 PolarHBondContact O-N 2.92Å
19E80.1Confident81.4Confident80 Ų80109.8 Ų109.837%0.37452%0.518SS..Hα-helixtrans-60.9-40.2176-75.2169.3-164.800111.8R15 R16 E17 I22 R23R15-E19 WeakPolarHBondContact CD-OE1 3.42Å; R15-E19 WeakPolarHBondContact CG-OE1 3.18Å; R15-E19 WeakPolarHBondContact O-CG 3.29Å; R15-E19 PolarHBondContact O-N 2.84Å; R16-E19 PolarHBondContact O-N 3.24Å; E17-E19 PolarHBondContact O-N 2.91Å; E19-I22 PolarHBondContact O-N 3.11Å; E19-R23 WeakPolarHBondContact O-CG 3.37Å; E19-R23 PolarHBondContact O-N 3.41Å
20K81Confident81.5Confident158 Ų158105.6 Ų105.669%0.68751%0.508SS*.Hα-helixtrans-63.1-42.8175.2-171-179.9179.8-176.40111.7R16 E17 R18 R23 A24R16-K20 WeakPolarHBondContact O-CB 3.16Å; R16-K20 PolarHBondContact O-N 3.02Å; E17-K20 WeakPolarHBondContact O-CB 3.49Å; E17-K20 PolarHBondContact O-N 3.4Å; R18-K20 VanDerWaalsContact C-N 3.3Å; R18-K20 PolarHBondContact O-N 3.38Å; K20-R23 PolarHBondContact O-N 2.75Å; K20-A24 WeakPolarHBondContact O-CB 3.31Å; K20-A24 PolarHBondContact O-N 2.96Å
21Q80.2Confident81.6Confident121 Ų121100 Ų10057%0.56548%0.484SS*.Hα-helixtrans-63.6-42.3175-70.4173.25.400111.6E17 R18 A24 S25E17-Q21 WeakPolarHBondContact O-CG 3.35Å; E17-Q21 PolarHBondContact O-N 2.95Å; R18-Q21 PolarHBondContact O-N 3.18Å; Q21-A24 PolarHBondContact O-N 3.41Å; Q21-S25 WeakPolarHBondContact O-CB 3.38Å; Q21-S25 PolarHBondContact O-N 2.93Å; Q21-S25 PolarHBondContact O-OG 2.84Å
22I80.5Confident81.6Confident29 Ų2995 Ų9515%0.14947%0.47CS..Hα-helixtrans-60.4-48.3176.4-70.8165.6000110.2R18 E19 A24 S25 R26 I121R18-I22 HydrophobicContact CG-CD1 3.86Å; R18-I22 HydrophobicContact CG-CG1 4.42Å; R18-I22 VanDerWaalsContact O-CG1 3.27Å; R18-I22 WeakPolarHBondContact O-CG1 3.44Å; R18-I22 PolarHBondContact O-N 2.92Å; E19-I22 PolarHBondContact O-N 3.11Å; I22-A24 VanDerWaalsContact C-N 3.34Å; I22-A24 PolarHBondContact O-N 2.65Å; I22-S25 WeakPolarHBondContact CA-OG 3.28Å; I22-S25 PolarHBondContact O-N 3.24Å; I22-S25 VanDerWaalsContact O-N 3.12Å; I22-S25 PolarHBondContact O-OG 2.86Å; I22-R26 PolarHBondContact O-N 3.3Å; I22-I121 HydrophobicContact CD1-CG2 3.96Å; I22-I121 HydrophobicContact CG1-CG2 4.12Å; I22-I121 HydrophobicContact CG2-CB 4.44Å; I22-I121 HydrophobicContact CG2-CG2 3.99Å
23R76Confident81.8Confident161 Ų161100.1 Ų100.161%0.60848%0.481SS*.Hα-helixtrans-60.9-41.7176.7-72.6-175.4-150.1157.86.1112.6E19 K20 S25 R26E19-R23 WeakPolarHBondContact O-CG 3.37Å; E19-R23 PolarHBondContact O-N 3.41Å; K20-R23 PolarHBondContact O-N 2.75Å; R23-S25 VanDerWaalsContact C-N 3.29Å; R23-S25 PolarHBondContact O-N 3.22Å; R23-R26 WeakPolarHBondContact O-CB 3.48Å; R23-R26 PolarHBondContact O-N 2.9Å
24A73.8Confident82.1Confident70 Ų7097.3 Ų97.358%0.57947%0.468SS*.Hα-helixtrans-63.4-37.1175.400000111.9K20 Q21 I22 R26K20-A24 WeakPolarHBondContact O-CB 3.31Å; K20-A24 PolarHBondContact O-N 2.96Å; Q21-A24 PolarHBondContact O-N 3.41Å; I22-A24 VanDerWaalsContact C-N 3.34Å; I22-A24 PolarHBondContact O-N 2.65Å; A24-R26 VanDerWaalsContact C-N 3.32Å; A24-R26 PolarHBondContact O-N 2.78Å
25S75.2Confident82.6Confident53 Ų5394.5 Ų94.537%0.37145%0.454SS..Hα-helixtrans-73.6-20.2178.871.20000114.1Q21 I22 R23 A27 N28Q21-S25 WeakPolarHBondContact O-CB 3.38Å; Q21-S25 PolarHBondContact O-N 2.93Å; Q21-S25 PolarHBondContact O-OG 2.84Å; I22-S25 WeakPolarHBondContact CA-OG 3.28Å; I22-S25 PolarHBondContact O-N 3.24Å; I22-S25 VanDerWaalsContact O-N 3.12Å; I22-S25 PolarHBondContact O-OG 2.86Å; R23-S25 VanDerWaalsContact C-N 3.29Å; R23-S25 PolarHBondContact O-N 3.22Å; S25-A27 VanDerWaalsContact C-N 3.26Å; S25-A27 PolarHBondContact O-N 2.92Å; S25-N28 WeakPolarHBondContact O-CB 3.48Å; S25-N28 PolarHBondContact O-N 2.68Å
26R74.5Confident83.1Confident52 Ų5287.3 Ų87.320%0.19643%0.427CS..Hα-helixtrans-59.5-36.2-178.9-81.3-178.6170.2161-3.4112.7I22 R23 A24 N28 I29 C122 A125 D126I22-R26 PolarHBondContact O-N 3.3Å; R23-R26 WeakPolarHBondContact O-CB 3.48Å; R23-R26 PolarHBondContact O-N 2.9Å; A24-R26 VanDerWaalsContact C-N 3.32Å; A24-R26 PolarHBondContact O-N 2.78Å; R26-N28 PolarHBondContact O-N 3.15Å; R26-I29 HydrophobicContact CG-CD1 4.41Å; R26-I29 WeakPolarHBondContact O-CB 3.45Å; R26-I29 PolarHBondContact O-N 2.97Å; R26-I29 VanDerWaalsContact O-N 3.13Å; R26-C122 PolarHBondContact NE-O 2.72Å; R26-C122 PolarHBondContact NH2-O 3.39Å; R26-C122 VanDerWaalsContact NH2-O 3.14Å; R26-A125 VanDerWaalsContact NH2-CB 3.26Å; R26-D126 IonicContact CZ-OD2 2.76Å; R26-D126 IonicContact NH1-OD2 2.68Å; R26-D126 PolarHBondContact NH1-OD2 2.79Å
27A70Confident83.6Confident77 Ų7777.9 Ų77.964%0.63639%0.392SS*.THydrogen-bonded Turntrans-63.3-22.3177.300000113.2S25S25-A27 VanDerWaalsContact C-N 3.26Å; S25-A27 PolarHBondContact O-N 2.92Å
28N77.9Confident84.1Confident143 Ų14373.8 Ų73.877%0.76538%0.377SS*.THydrogen-bonded Turntrans-93.70.5-179.9-60.9-18.1000112.8S25 R26S25-N28 WeakPolarHBondContact O-CB 3.48Å; S25-N28 PolarHBondContact O-N 2.68Å; R26-N28 PolarHBondContact O-N 3.15Å
29I84.7Confident84.6Confident51 Ų5167.8 Ų67.826%0.26236%0.363SS..SBendtrans-83.6119.2178.5-58.6177000108.1R26 L31 H34 P123R26-I29 HydrophobicContact CG-CD1 4.41Å; R26-I29 WeakPolarHBondContact O-CB 3.45Å; R26-I29 PolarHBondContact O-N 2.97Å; R26-I29 VanDerWaalsContact O-N 3.13Å; I29-L31 PolarHBondContact O-N 3Å; I29-H34 HydrophobicContact CG2-CB 4.41Å; I29-P123 HydrophobicContact CD1-CG 4.1Å; I29-P123 HydrophobicContact CG2-CB 4.37Å; I29-P123 HydrophobicContact CG2-CG 4.01Å
30D87.6Confident85.1Confident75 Ų7564.8 Ų64.840%0.40135%0.349SS..  trans-67.695.4168.6-176.6-14.5000109.3A32 K33 H34D30-A32 VanDerWaalsContact C-N 3.27Å; D30-A32 PolarHBondContact O-N 3.09Å; D30-A32 PolarHBondContact OD1-N 3.21Å; D30-K33 PolarHBondContact O-N 3.46Å; D30-K33 PolarHBondContact OD1-N 2.83Å; D30-K33 VanDerWaalsContact OD2-CD 3.26Å; D30-K33 WeakPolarHBondContact OD2-CD 3.36Å; D30-K33 WeakPolarHBondContact OD2-CE 3.17Å; D30-K33 WeakPolarHBondContact OD2-CG 3.28Å; D30-K33 IonicContact OD2-NZ 3.22Å; D30-K33 PolarHBondContact OD2-NZ 3.08Å; D30-H34 PolarHBondContact O-N 2.83Å; D30-H34 VanDerWaalsContact O-N 3.13Å
31L90.3Very high85.8Confident12 Ų1261.8 Ų61.86%0.06334%0.337CS..THydrogen-bonded Turntrans-65.1-32.1-175.2-171.161.6000112.3I29 K33 H34 N37 P123 L124 I143 F152I29-L31 PolarHBondContact O-N 3Å; L31-K33 VanDerWaalsContact C-N 3.28Å; L31-K33 PolarHBondContact O-N 3.36Å; L31-H34 PolarHBondContact O-N 2.97Å; L31-N37 HydrophobicContact CD1-CB 4.43Å; L31-N37 WeakPolarHBondContact O-CB 3.09Å; L31-N37 PolarHBondContact O-ND2 3.22Å; L31-P123 HydrophobicContact CD1-CB 3.61Å; L31-L124 HydrophobicContact CD1-CD2 3.68Å; L31-L124 HydrophobicContact CD1-CG 4.32Å; L31-L124 HydrophobicContact CD2-CD2 4.07Å; L31-L124 HydrophobicContact CG-CD2 4.35Å; L31-I143 HydrophobicContact CD2-CB 4.19Å; L31-I143 HydrophobicContact CD2-CG2 3.85Å; L31-I143 VanDerWaalsContact CD2-O 3.3Å; L31-I143 WeakPolarHBondContact CD2-O 3.46Å; L31-I143 WeakPolarHBondContact CG-O 3.43Å; L31-F152 HydrophobicContact CD2-CD1 3.89Å; L31-F152 HydrophobicContact CD2-CE1 3.79Å
32A87.8Confident86.4Confident41 Ų4156 Ų5634%0.33931%0.31SS..THydrogen-bonded Turntrans-66.7-32.4-179.100000111.9D30 F144D30-A32 VanDerWaalsContact C-N 3.27Å; D30-A32 PolarHBondContact O-N 3.09Å; D30-A32 PolarHBondContact OD1-N 3.21Å; A32-F144 HydrophobicContact CB-CD1 4.2Å; A32-F144 HydrophobicContact CB-CE1 4.03Å
33K89.9Confident86.9Confident167 Ų16758 Ų5873%0.72632%0.321SS*.THydrogen-bonded Turntrans-94.2-10.5178.4-61.5-169.4-171.8105.50113.9D30 L31D30-K33 PolarHBondContact O-N 3.46Å; D30-K33 PolarHBondContact OD1-N 2.83Å; D30-K33 VanDerWaalsContact OD2-CD 3.26Å; D30-K33 WeakPolarHBondContact OD2-CD 3.36Å; D30-K33 WeakPolarHBondContact OD2-CE 3.17Å; D30-K33 WeakPolarHBondContact OD2-CG 3.28Å; D30-K33 IonicContact OD2-NZ 3.22Å; D30-K33 PolarHBondContact OD2-NZ 3.08Å; L31-K33 VanDerWaalsContact C-N 3.28Å; L31-K33 PolarHBondContact O-N 3.36Å
34H93.8Very high87.8Confident27 Ų2757.8 Ų57.813%0.12533%0.325CS..SBendtrans-68.1134.9-175-165.2-85.3000111.3I29 D30 L31 C36 N37 A38 A68I29-H34 HydrophobicContact CG2-CB 4.41Å; D30-H34 PolarHBondContact O-N 2.83Å; D30-H34 VanDerWaalsContact O-N 3.13Å; L31-H34 PolarHBondContact O-N 2.97Å; H34-C36 VanDerWaalsContact C-N 3.25Å; H34-C36 PolarHBondContact ND1-N 3.18Å; H34-C36 PolarHBondContact ND1-SG 2.98Å; H34-C36 PolarHBondContact O-N 3.42Å; H34-C36 VanDerWaalsContact O-N 3.09Å; H34-N37 CarbonylContact O-C 3.52Å; H34-N37 PolarHBondContact O-N 3.32Å; H34-A38 PolarHBondContact O-N 3.14Å; H34-A68 PolarHBondContact CE1-O 3.26Å; H34-A68 VanDerWaalsContact CE1-O 3.24Å
35P95.3Very high88.8Confident28 Ų2856.4 Ų56.418%0.18231%0.31CS..G310 helixtrans-59.7-28.4-172.5-26.233.4000115.8N37 A38 N51 C67P35-N37 PolarHBondContact O-N 3.39Å; P35-A38 PolarHBondContact O-N 3.08Å; P35-N51 PolarHBondContact O-ND2 2.92Å; P35-C67 WeakPolarHBondContact CB-O 3.32Å
36C94.1Very high89.7Confident0 Ų059.2 Ų59.20%032%0.317CS..G310 helixtrans-68.8-13.9175.274.70000114.1H34 A68 C104H34-C36 VanDerWaalsContact C-N 3.25Å; H34-C36 PolarHBondContact ND1-N 3.18Å; H34-C36 PolarHBondContact ND1-SG 2.98Å; H34-C36 PolarHBondContact O-N 3.42Å; H34-C36 VanDerWaalsContact O-N 3.09Å; C36-A68 HydrophobicContact CB-CB 3.78Å; C36-A68 PolarHBondContact N-O 3.06Å; C36-A68 VanDerWaalsContact N-O 3.17Å; C36-C104 HydrophobicContact CB-CB 4.01Å
37N95.2Very high90.6Very high0 Ų062.3 Ų62.30%033%0.329CS..G310 helixtrans-120.510.4-178.7-167.648000111.7L31 H34 P35 R142 I143L31-N37 HydrophobicContact CD1-CB 4.43Å; L31-N37 WeakPolarHBondContact O-CB 3.09Å; L31-N37 PolarHBondContact O-ND2 3.22Å; H34-N37 CarbonylContact O-C 3.52Å; H34-N37 PolarHBondContact O-N 3.32Å; P35-N37 PolarHBondContact O-N 3.39Å; N37-R142 VanDerWaalsContact O-CD 3.24Å; N37-R142 WeakPolarHBondContact O-CD 3.43Å; N37-R142 WeakPolarHBondContact O-CG 3.47Å; N37-R142 WeakPolarHBondContact OD1-CA 3.25Å; N37-I143 PolarHBondContact ND2-O 2.62Å; N37-I143 PolarHBondContact OD1-N 3.35Å
38A94.7Very high91.7Very high28 Ų2864.2 Ų64.223%0.23132%0.32CS..  trans-59.9145.317600000110.5H34 P35 K50 N51H34-A38 PolarHBondContact O-N 3.14Å; P35-A38 PolarHBondContact O-N 3.08Å; A38-K50 CarbonylContact O-C 3.56Å; A38-K50 WeakPolarHBondContact O-CA 3.37Å; A38-N51 HydrophobicContact CB-CB 4.4Å; A38-N51 PolarHBondContact O-N 3.4Å
39S93.8Very high92.5Very high51 Ų5157.6 Ų57.636%0.35728%0.284SS..EExtended strand (participates in β ladder)trans-66.9137.7172-1740000109.6
40M91.8Very high92.9Very high16 Ų1655.1 Ų55.18%0.07927%0.272CS..EExtended strand (participates in β ladder)trans-135.4159.3172.575.3-179.9-55.400110.1R48 Q49 K50 N51 R52 Q62M40-R48 WeakPolarHBondContact O-CA 3.29Å; M40-Q49 HydrophobicContact CG-CG 3.45Å; M40-Q49 VanDerWaalsContact CG-CG 3.45Å; M40-Q49 WeakPolarHBondContact CG-O 3.37Å; M40-Q49 PolarHBondContact N-O 3.39Å; M40-Q49 PolarHBondContact O-N 2.91Å; M40-Q49 HydrophobicContact SD-CG 3.83Å; M40-K50 WeakPolarHBondContact CG-O 3.16Å; M40-N51 WeakPolarHBondContact SD-CA 3.27Å; M40-R52 HydrophobicContact SD-CB 4.26Å; M40-R52 PolarHBondContact SD-N 3.47Å; M40-Q62 HydrophobicContact CE-CB 3.76Å; M40-Q62 HydrophobicContact CE-CG 3.23Å
41E94.3Very high93.3Very high96 Ų9651.6 Ų51.645%0.44925%0.253SS..EExtended strand (participates in β ladder)trans-117.6138171.5-173.6169.9178.900108.8Q46 Q62E41-Q46 PolarHBondContact OE1-OE1 3.5Å; E41-Q46 VanDerWaalsContact OE1-OE1 3.04Å; E41-Q62 PolarHBondContact O-NE2 3.44Å
42C93.9Very high93.4Very high0 Ų051 Ų510%025%0.25CC..  trans-77.8124.2178.9176.80000111K44 C45 Q46 R47 C55 S60C42-K44 PolarHBondContact O-N 3.19Å; C42-K44 PolarHBondContact SG-N 3.03Å; C42-K44 VanDerWaalsContact SG-N 3.42Å; C42-C45 VanDerWaalsContact CB-SG 3.59Å; C42-C45 VanDerWaalsContact SG-SG 3.63Å; C42-Q46 WeakPolarHBondContact O-CA 3.45Å; C42-Q46 PolarHBondContact O-N 3.09Å; C42-R47 PolarHBondContact N-O 3.02Å; C42-C55 HydrophobicContact CB-CB 4.16Å; C42-C55 VanDerWaalsContact SG-SG 3.65Å; C42-S60 PolarHBondContact SG-OG 3.28Å
43D91.3Very high93.8Very high70 Ų7049.1 Ų49.137%0.37423%0.234SC..THydrogen-bonded Turntrans-60.4-23.6179.5-55.8-26.7000113.6Q46D43-Q46 PolarHBondContact O-NE2 3.23Å
44K93.6Very high94Very high157 Ų15745 Ų4568%0.68322%0.216SC*.THydrogen-bonded Turntrans-90.6-49.9-176.9-170.5-178180-173.40112.9C42C42-K44 PolarHBondContact O-N 3.19Å; C42-K44 PolarHBondContact SG-N 3.03Å; C42-K44 VanDerWaalsContact SG-N 3.42Å
45C95.3Very high94Very high41 Ų4143.7 Ų43.728%0.27721%0.21SC..THydrogen-bonded Turntrans-107-2.3-174.9700000114.2C42 R47 C55 C58C42-C45 VanDerWaalsContact CB-SG 3.59Å; C42-C45 VanDerWaalsContact SG-SG 3.63Å; C45-R47 PolarHBondContact O-N 3.05Å; C45-C55 VanDerWaalsContact SG-SG 3.69Å; C45-C58 HydrophobicContact CB-CB 4.38Å
46Q94.1Very high94Very high111 Ų11146.1 Ų46.152%0.51922%0.216SC..  trans55.122.4178.4-53.6-62.2-36.200113.7E41 C42 D43E41-Q46 PolarHBondContact OE1-OE1 3.5Å; E41-Q46 VanDerWaalsContact OE1-OE1 3.04Å; C42-Q46 WeakPolarHBondContact O-CA 3.45Å; C42-Q46 PolarHBondContact O-N 3.09Å; D43-Q46 PolarHBondContact O-NE2 3.23Å
47R93.4Very high94Very high117 Ų11748.4 Ų48.444%0.44223%0.226SC..  trans-87.9138173.9-67.2-175.7-179.9-174.50.1109.7C42 C45 F57C42-R47 PolarHBondContact N-O 3.02Å; C45-R47 PolarHBondContact O-N 3.05Å; R47-F57 HydrophobicContact CB-CD2 3.46Å; R47-F57 VanDerWaalsContact CB-CD2 3.46Å; R47-F57 HydrophobicContact CB-CE2 3.67Å; R47-F57 HydrophobicContact CB-CG 4.31Å; R47-F57 VanDerWaalsContact CD-CG 3.49Å; R47-F57 HydrophobicContact CG-CD2 4.13Å; R47-F57 HydrophobicContact CG-CE2 4.47Å
48R93.6Very high94Very high118 Ų11850.3 Ų50.345%0.44524%0.239SC..EExtended strand (participates in β ladder)trans-76.6137.5173.2-67178.263.9177.60.6110.4M40M40-R48 WeakPolarHBondContact O-CA 3.29Å
49Q93.6Very high94Very high3 Ų355 Ų551%0.01426%0.26CS..EExtended strand (participates in β ladder)trans-153.1173.2178.960.7-176.8-15.100108.8M40 C55 F57 G140M40-Q49 HydrophobicContact CG-CG 3.45Å; M40-Q49 VanDerWaalsContact CG-CG 3.45Å; M40-Q49 WeakPolarHBondContact CG-O 3.37Å; M40-Q49 PolarHBondContact N-O 3.39Å; M40-Q49 PolarHBondContact O-N 2.91Å; M40-Q49 HydrophobicContact SD-CG 3.83Å; Q49-C55 VanDerWaalsContact OE1-CA 3.31Å; Q49-F57 HydrophobicContact CB-CE2 4.31Å; Q49-G140 CarbonylContact C-O 3.55Å; Q49-G140 VanDerWaalsContact CA-O 3.32Å; Q49-G140 WeakPolarHBondContact CA-O 3.47Å; Q49-G140 VanDerWaalsContact CB-O 3.3Å; Q49-G140 WeakPolarHBondContact CB-O 3.26Å
50K94.4Very high94Very high0 Ų053.6 Ų53.60%025%0.25CS..EExtended strand (participates in β ladder)trans-74.3159.3167.872.7167.9177.264.90111.6A38 M40 R52 C104 L124 V136 G140 G141 R142A38-K50 CarbonylContact O-C 3.56Å; A38-K50 WeakPolarHBondContact O-CA 3.37Å; M40-K50 WeakPolarHBondContact CG-O 3.16Å; K50-R52 HydrophobicContact CG-CG 4.2Å; K50-R52 VanDerWaalsContact NZ-CZ 3.29Å; K50-R52 VanDerWaalsContact NZ-NH2 3.14Å; K50-R52 WeakPolarHBondContact O-CG 3.31Å; K50-R52 PolarHBondContact O-N 3.05Å; K50-C104 PolarHBondContact NZ-O 2.8Å; K50-L124 HydrophobicContact CD-CD1 4.41Å; K50-V136 VanDerWaalsContact CE-CG1 3.41Å; K50-V136 VanDerWaalsContact NZ-CG1 3.31Å; K50-G140 PolarHBondContact N-O 3.4Å; K50-G141 WeakPolarHBondContact CD-O 3.4Å; K50-G141 WeakPolarHBondContact CG-O 3.27Å; K50-R142 HydrophobicContact CB-CG 3.94Å
51N94.8Very high94.1Very high1 Ų157 Ų571%0.00527%0.268CS..SBendtrans-49.8120.4175.1-172.715.2000111.1P35 A38 M40 I66 A106P35-N51 PolarHBondContact O-ND2 2.92Å; A38-N51 HydrophobicContact CB-CB 4.4Å; A38-N51 PolarHBondContact O-N 3.4Å; M40-N51 WeakPolarHBondContact SD-CA 3.27Å; N51-I66 PolarHBondContact ND2-O 3.26Å; N51-A106 WeakPolarHBondContact O-CB 3.37Å
52R93.8Very high93.9Very high0 Ų052.9 Ų52.90%025%0.249CC..  trans-150.9156.6-177.4-74.2-178.9-176.6-102.2-4.9110.7M40 K50 F54 E105 V136 H139M40-R52 HydrophobicContact SD-CB 4.26Å; M40-R52 PolarHBondContact SD-N 3.47Å; K50-R52 HydrophobicContact CG-CG 4.2Å; K50-R52 VanDerWaalsContact NZ-CZ 3.29Å; K50-R52 VanDerWaalsContact NZ-NH2 3.14Å; K50-R52 WeakPolarHBondContact O-CG 3.31Å; K50-R52 PolarHBondContact O-N 3.05Å; R52-F54 VanDerWaalsContact CB-O 3.25Å; R52-F54 WeakPolarHBondContact CB-O 3.46Å; R52-E105 CarbonylContact C-O 3.54Å; R52-E105 HydrophobicContact CG-CB 4.35Å; R52-E105 IonicContact CZ-OE1 2.78Å; R52-E105 IonicContact CZ-OE2 2.75Å; R52-E105 IonicContact NH1-OE1 3.04Å; R52-E105 PolarHBondContact NH1-OE1 3.34Å; R52-E105 IonicContact NH1-OE2 3.41Å; R52-E105 PolarHBondContact NH1-OE2 3.36Å; R52-V136 PolarHBondContact NH2-O 2.76Å; R52-H139 PolarHBondContact NH2-O 3.2Å
53A94.8Very high93.6Very high0 Ų060 Ų600%028%0.28CS..SBendtrans-69.8-42.3173.600000111.9Q62 I100 E105 W107A53-Q62 PolarHBondContact O-N 3.37Å; A53-I100 HydrophobicContact CB-CD1 3.95Å; A53-I100 HydrophobicContact CB-CG1 4.02Å; A53-I100 HydrophobicContact CB-CG2 4.12Å; A53-E105 VanDerWaalsContact CB-O 3.23Å; A53-E105 WeakPolarHBondContact CB-O 3.49Å; A53-E105 PolarHBondContact N-O 3.42Å; A53-W107 HydrophobicContact CB-CD2 3.65Å; A53-W107 VanDerWaalsContact CB-CE2 3.45Å; A53-W107 HydrophobicContact CB-CE3 3.89Å; A53-W107 HydrophobicContact CB-CG 4.28Å; A53-W107 HydrophobicContact CB-CH2 3.8Å; A53-W107 HydrophobicContact CB-CZ2 3.5Å; A53-W107 HydrophobicContact CB-CZ3 4.01Å
54F94.6Very high93.5Very high80 Ų8062.5 Ų62.535%0.35129%0.292SS..BIsolated β-bridgetrans-118.5142.5179.6-51.7-80.2000109.6R52 Y56 I61 I100R52-F54 VanDerWaalsContact CB-O 3.25Å; R52-F54 WeakPolarHBondContact CB-O 3.46Å; F54-Y56 PolarHBondContact O-N 2.79Å; F54-I61 HydrophobicContact CD1-CG1 3.79Å; F54-I61 HydrophobicContact CE1-CD1 4.4Å; F54-I61 HydrophobicContact CE1-CG1 3.64Å; F54-I100 HydrophobicContact CE2-CD1 3.62Å; F54-I100 HydrophobicContact CZ-CD1 3.91Å
55C94.6Very high93.4Very high0 Ų055.2 Ų55.20%026%0.261CS..  trans-67.2125.8173.8178.70000110.5C42 C45 Q49 F57 N59 S60C42-C55 HydrophobicContact CB-CB 4.16Å; C42-C55 VanDerWaalsContact SG-SG 3.65Å; C45-C55 VanDerWaalsContact SG-SG 3.69Å; Q49-C55 VanDerWaalsContact OE1-CA 3.31Å; C55-F57 PolarHBondContact O-N 3.28Å; C55-F57 PolarHBondContact SG-N 2.87Å; C55-F57 VanDerWaalsContact SG-N 3.4Å; C55-N59 WeakPolarHBondContact O-CA 3.33Å; C55-N59 PolarHBondContact O-N 2.88Å; C55-N59 PolarHBondContact O-OD1 2.95Å; C55-S60 PolarHBondContact N-O 3.42Å
56Y94.1Very high93.3Very high79 Ų7955.2 Ų55.231%0.3126%0.258SS..THydrogen-bonded Turntrans-56.6-35.5176.4176.4-99.1000112.5F54 D138F54-Y56 PolarHBondContact O-N 2.79Å; Y56-D138 PolarHBondContact OH-O 3.36Å
57F94.2Very high93.4Very high48 Ų4850 Ų5021%0.21123%0.234CC..THydrogen-bonded Turntrans-83.1-36.6-175-60.1-65.7000114.9R47 Q49 C55 Y308R47-F57 HydrophobicContact CB-CD2 3.46Å; R47-F57 VanDerWaalsContact CB-CD2 3.46Å; R47-F57 HydrophobicContact CB-CE2 3.67Å; R47-F57 HydrophobicContact CB-CG 4.31Å; R47-F57 VanDerWaalsContact CD-CG 3.49Å; R47-F57 HydrophobicContact CG-CD2 4.13Å; R47-F57 HydrophobicContact CG-CE2 4.47Å; Q49-F57 HydrophobicContact CB-CE2 4.31Å; C55-F57 PolarHBondContact O-N 3.28Å; C55-F57 PolarHBondContact SG-N 2.87Å; C55-F57 VanDerWaalsContact SG-N 3.4Å; F57-Y308 HydrophobicContact CD1-CE2 4.37Å; F57-Y308 AromaticContact CE1-CD2 3.76Å; F57-Y308 HydrophobicContact CE1-CD2 3.76Å; F57-Y308 AromaticContact CE1-CE2 3.26Å; F57-Y308 HydrophobicContact CE1-CE2 3.26Å; F57-Y308 AromaticContact CZ-CD2 3.61Å; F57-Y308 HydrophobicContact CZ-CD2 3.61Å; F57-Y308 AromaticContact CZ-CE2 3.6Å; F57-Y308 HydrophobicContact CZ-CE2 3.6Å
58C95.7Very high93.5Very high41 Ų4144.5 Ų44.528%0.27721%0.213SC..THydrogen-bonded Turntrans-130.66.3-170.671.90000113.9C45 S60C45-C58 HydrophobicContact CB-CB 4.38Å; C58-S60 PolarHBondContact O-N 2.84Å; C58-S60 PolarHBondContact SG-OG 3.12Å
59N94.3Very high93.5Very high126 Ų12640.8 Ų40.867%0.67420%0.201SC*.  trans55.213.5179.9-62.7-32.7000115C55C55-N59 WeakPolarHBondContact O-CA 3.33Å; C55-N59 PolarHBondContact O-N 2.88Å; C55-N59 PolarHBondContact O-OD1 2.95Å
60S94.8Very high93.5Very high21 Ų2142.9 Ų42.915%0.14722%0.215CC..PPolyproline II helixtrans-70.3138.9177.168.50000110.7C42 C55 C58 Q62C42-S60 PolarHBondContact SG-OG 3.28Å; C55-S60 PolarHBondContact N-O 3.42Å; C58-S60 PolarHBondContact O-N 2.84Å; C58-S60 PolarHBondContact SG-OG 3.12Å; S60-Q62 PolarHBondContact O-N 3.11Å
61I93.4Very high93.4Very high89 Ų8944.5 Ų44.546%0.45623%0.232SC..BIsolated β-bridgetrans-63.1131.9171.6-66.9166.3000109.9F54 K63 L94 W107F54-I61 HydrophobicContact CD1-CG1 3.79Å; F54-I61 HydrophobicContact CE1-CD1 4.4Å; F54-I61 HydrophobicContact CE1-CG1 3.64Å; I61-K63 PolarHBondContact O-N 3.24Å; I61-L94 HydrophobicContact CG2-CD1 4.44Å; I61-L94 HydrophobicContact CG2-CD2 4.16Å; I61-W107 HydrophobicContact CG2-CZ2 4.14Å
62Q89.9Confident93.3Very high9 Ų949.4 Ų49.44%0.04225%0.253CS..PPolyproline II helixtrans-74.8119.2172.7-171.570.38.900111.1M40 E41 A53 S60M40-Q62 HydrophobicContact CE-CB 3.76Å; M40-Q62 HydrophobicContact CE-CG 3.23Å; E41-Q62 PolarHBondContact O-NE2 3.44Å; A53-Q62 PolarHBondContact O-N 3.37Å; S60-Q62 PolarHBondContact O-N 3.11Å
63K87.6Confident93.2Very high149 Ų14953.2 Ų53.265%0.64828%0.276SS*.SBendtrans-79.1-24.8-178.6-65.9-178.7-179.5176.50113.6I61 P65I61-K63 PolarHBondContact O-N 3.24Å; K63-P65 VanDerWaalsContact C-CD 3.41Å; K63-P65 WeakPolarHBondContact O-CD 3.44Å
64L88.8Confident93Very high122 Ų12257.9 Ų57.964%0.63930%0.297SS*.SBendtrans-104.680.1176.6-61.7178000110.5
65P91.4Very high92.7Very high4 Ų454.4 Ų54.43%0.02628%0.282CS..  trans-74.2138.8-176.430.6-35.8000112K63 G93 M96 V97 W107K63-P65 VanDerWaalsContact C-CD 3.41Å; K63-P65 WeakPolarHBondContact O-CD 3.44Å; P65-G93 WeakPolarHBondContact CG-O 3.45Å; P65-M96 HydrophobicContact CG-CG 4.28Å; P65-M96 HydrophobicContact CG-SD 4.49Å; P65-V97 HydrophobicContact CB-CG2 3.87Å; P65-V97 HydrophobicContact CG-CG2 3.83Å; P65-W107 HydrophobicContact CB-CB 4.05Å; P65-W107 HydrophobicContact CB-CG 3.76Å
66I94.4Very high92.1Very high42 Ų4256.9 Ų56.922%0.21529%0.294CS..  trans-110.7124.6167.9-62.2164.2000107.5N51 A68 T73N51-I66 PolarHBondContact ND2-O 3.26Å; I66-A68 PolarHBondContact O-N 3.5Å; I66-T73 HydrophobicContact CB-CG2 4.43Å; I66-T73 HydrophobicContact CG1-CG2 3.61Å
67C94.9Very high90.9Very high2 Ų257.9 Ų57.91%0.01430%0.303CS..  trans-63.8121.4177.9178.10000111.6P35 Q69 C70 G71 K72 W107 C109P35-C67 WeakPolarHBondContact CB-O 3.32Å; C67-Q69 PolarHBondContact O-N 3.48Å; C67-Q69 VanDerWaalsContact O-N 3.07Å; C67-C70 VanDerWaalsContact CB-SG 3.6Å; C67-C70 PolarHBondContact O-N 2.98Å; C67-C70 PolarHBondContact SG-SG 3.18Å; C67-G71 VanDerWaalsContact O-CA 3.29Å; C67-G71 WeakPolarHBondContact O-CA 3.46Å; C67-G71 PolarHBondContact O-N 3.11Å; C67-K72 PolarHBondContact N-O 3.22Å; C67-W107 CarbonylContact C-O 3.48Å; C67-W107 WeakPolarHBondContact CA-O 3.4Å; C67-C109 HydrophobicContact CB-CB 3.92Å; C67-C109 PolarHBondContact SG-N 2.7Å
68A95.6Very high89.5Confident0 Ų065.2 Ų65.20%034%0.335CS..THydrogen-bonded Turntrans-59.9-19.9-179.900000114.7H34 C36 I66 A106 W107 V108H34-A68 PolarHBondContact CE1-O 3.26Å; H34-A68 VanDerWaalsContact CE1-O 3.24Å; C36-A68 HydrophobicContact CB-CB 3.78Å; C36-A68 PolarHBondContact N-O 3.06Å; C36-A68 VanDerWaalsContact N-O 3.17Å; I66-A68 PolarHBondContact O-N 3.5Å; A68-A106 HydrophobicContact CB-CB 3.58Å; A68-W107 WeakPolarHBondContact CB-O 3.32Å; A68-W107 PolarHBondContact N-O 3.24Å; A68-V108 HydrophobicContact CB-CG2 4.45Å
69Q94.1Very high88Confident41 Ų4165.5 Ų65.519%0.19234%0.337CS..THydrogen-bonded Turntrans-99.9-38.5-178.5-175.455.943.200113.9C67 C114 H118C67-Q69 PolarHBondContact O-N 3.48Å; C67-Q69 VanDerWaalsContact O-N 3.07Å; Q69-C114 HydrophobicContact CB-CB 4.03Å; Q69-C114 HydrophobicContact CG-CB 4.15Å; Q69-H118 HydrophobicContact CB-CB 4.12Å; Q69-H118 HydrophobicContact CG-CB 4.34Å; Q69-H118 PolarHBondContact OE1-ND1 2.9Å
70C93.2Very high86.7Confident47 Ų4765.2 Ų65.232%0.31835%0.345SS..THydrogen-bonded Turntrans-121.6-2.6-172.271.50000114.2C67 K72C67-C70 VanDerWaalsContact CB-SG 3.6Å; C67-C70 PolarHBondContact O-N 2.98Å; C67-C70 PolarHBondContact SG-SG 3.18Å; C70-K72 HydrophobicContact CB-CG 4.47Å; C70-K72 PolarHBondContact O-N 3.06Å
71G93.2Very high86.1Confident33 Ų3367.4 Ų67.434%0.3436%0.355SS..  trans67.60.7179.200000115.3C67C67-G71 VanDerWaalsContact O-CA 3.29Å; C67-G71 WeakPolarHBondContact O-CA 3.46Å; C67-G71 PolarHBondContact O-N 3.11Å
72K92Very high85.9Confident104 Ų10463.9 Ų63.945%0.45234%0.338SS..  trans-73.9139.6-179.2-62.6-179.5-176.3178.10110.8C67 C70 M96C67-K72 PolarHBondContact N-O 3.22Å; C70-K72 HydrophobicContact CB-CG 4.47Å; C70-K72 PolarHBondContact O-N 3.06Å; K72-M96 WeakPolarHBondContact O-CE 3.09Å
73T92.1Very high85.8Confident80 Ų8066.9 Ų66.949%0.49136%0.357SS..SBendtrans-102.21.2171.451.30000113.1I66I66-T73 HydrophobicContact CB-CG2 4.43Å; I66-T73 HydrophobicContact CG1-CG2 3.61Å
74K89.8Confident85.8Confident99 Ų9964.2 Ų64.243%0.4335%0.349SS..EExtended strand (participates in β ladder)trans-147.2133.917359.2-171.3179.3-172.50111.3M76 S91 T92 M96K74-M76 HydrophobicContact CD-SD 3.87Å; K74-M76 HydrophobicContact CG-SD 3.93Å; K74-S91 CarbonylContact C-O 3.52Å; K74-S91 VanDerWaalsContact CA-O 3.29Å; K74-S91 WeakPolarHBondContact CA-O 3.27Å; K74-T92 HydrophobicContact CB-CG2 3.87Å; K74-M96 PolarHBondContact N-SD 2.68Å; K74-M96 VanDerWaalsContact N-SD 3.4Å
75C87.7Confident85.5Confident6 Ų668.2 Ų68.24%0.04136%0.361CS..EExtended strand (participates in β ladder)trans-82.9120.6166177.20000108.1C82 H86 S91 H110C75-C82 VanDerWaalsContact CB-SG 3.51Å; C75-C82 WeakPolarHBondContact SG-CB 3.06Å; C75-C82 CovalentContact SG-SG 2.14Å; C75-C82 PolarHBondContact SG-SG 3.47Å; C75-H86 PolarHBondContact O-CE1 3.49Å; C75-H86 VanDerWaalsContact O-CE1 3.32Å; C75-H86 PolarHBondContact SG-CE1 3.33Å; C75-H86 PolarHBondContact SG-NE2 3.25Å; C75-S91 PolarHBondContact N-O 3.06Å; C75-S91 PolarHBondContact O-N 3.35Å; C75-H110 WeakPolarHBondContact CB-NE2 3.17Å; C75-H110 PolarHBondContact SG-NE2 3.22Å
76M82Confident85.1Confident52 Ų5269.4 Ų69.426%0.25637%0.366SS..  trans-90.5133.6174.5-51.5-74.6-7900109K74 K78 S79 Y90K74-M76 HydrophobicContact CD-SD 3.87Å; K74-M76 HydrophobicContact CG-SD 3.93Å; M76-K78 PolarHBondContact O-N 3.29Å; M76-S79 PolarHBondContact O-N 2.76Å; M76-S79 PolarHBondContact O-OG 3.41Å; M76-Y90 HydrophobicContact CB-CD1 4.19Å; M76-Y90 HydrophobicContact CB-CE1 4.11Å; M76-Y90 HydrophobicContact CE-CD1 3.83Å; M76-Y90 HydrophobicContact CE-CE1 3.09Å; M76-Y90 HydrophobicContact CE-CE2 3.98Å; M76-Y90 VanDerWaalsContact CE-OH 3.22Å; M76-Y90 WeakPolarHBondContact CE-OH 3.29Å; M76-Y90 HydrophobicContact CG-CD1 4.26Å; M76-Y90 HydrophobicContact CG-CE1 4.25Å; M76-Y90 HydrophobicContact SD-CD1 3.2Å; M76-Y90 WeakPolarHBondContact SD-CD1 3.39Å; M76-Y90 HydrophobicContact SD-CD2 4.23Å; M76-Y90 HydrophobicContact SD-CE1 3.18Å; M76-Y90 WeakPolarHBondContact SD-CE1 3.19Å; M76-Y90 HydrophobicContact SD-CE2 4.21Å; M76-Y90 HydrophobicContact SD-CG 3.74Å
77M68.8Low84.2Confident101 Ų10171.6 Ų71.650%0.49839%0.391SS..THydrogen-bonded Turntrans-58.4-23.5179.4-170.6177.375.500113.8S79 H86 A87 G88M77-S79 CarbonylContact O-C 3.36Å; M77-S79 PolarHBondContact O-N 2.75Å; M77-H86 VanDerWaalsContact SD-O 3.39Å; M77-A87 VanDerWaalsContact SD-CA 3.56Å; M77-A87 HydrophobicContact SD-CB 4.49Å; M77-G88 PolarHBondContact SD-N 3.16Å
78K66.1Low83.3Confident201 Ų20174.8 Ų74.887%0.87442%0.424SS*.THydrogen-bonded Turntrans-55.2-25.3177.6-71.3-172179.7-177.40113.3M76M76-K78 PolarHBondContact O-N 3.29Å
79S63.3Low82.7Confident48 Ų4879.5 Ų79.534%0.33645%0.453SS..SBendtrans-90.694.8165.152.40000109.4M76 M77 D81M76-S79 PolarHBondContact O-N 2.76Å; M76-S79 PolarHBondContact O-OG 3.41Å; M77-S79 CarbonylContact O-C 3.36Å; M77-S79 PolarHBondContact O-N 2.75Å; S79-D81 PolarHBondContact O-N 3.33Å
80S67.3Low82.4Confident120 Ų12083.5 Ų83.584%0.83947%0.467SS*.THydrogen-bonded Turntrans-62.54.1177.654.30000115
81D83.1Confident82.1Confident67 Ų6781.9 Ų81.936%0.35846%0.456SS..THydrogen-bonded Turntrans-95.315.8-177.6-16637.4000113.4S79 R112 K113S79-D81 PolarHBondContact O-N 3.33Å; D81-R112 VanDerWaalsContact CG-CB 3.47Å; D81-R112 WeakPolarHBondContact O-CB 3.4Å; D81-R112 PolarHBondContact O-N 2.92Å; D81-R112 WeakPolarHBondContact OD1-CB 3.26Å; D81-R112 WeakPolarHBondContact OD1-CD 3.21Å; D81-R112 IonicContact OD1-NE 3.76Å; D81-R112 PolarHBondContact OD1-NE 3.14Å; D81-R112 VanDerWaalsContact OD1-NE 3.12Å; D81-R112 WeakPolarHBondContact OD2-CB 3.3Å; D81-K113 PolarHBondContact OD2-N 2.9Å; D81-K113 VanDerWaalsContact OD2-N 3.12Å
82C88.1Confident82Confident14 Ų1484.2 Ų84.210%0.09546%0.464CS..BIsolated β-bridgetrans-76.7131.8172.4-77.70000109.2C75 I84 H110C75-C82 VanDerWaalsContact CB-SG 3.51Å; C75-C82 WeakPolarHBondContact SG-CB 3.06Å; C75-C82 CovalentContact SG-SG 2.14Å; C75-C82 PolarHBondContact SG-SG 3.47Å; C82-I84 VanDerWaalsContact C-N 3.35Å; C82-H110 PolarHBondContact SG-CD2 2.83Å; C82-H110 PolarHBondContact SG-NE2 3.43Å
83V89.2Confident81.9Confident73 Ų7380.2 Ų80.244%0.44245%0.452SS..SBendtrans-67.8-37.6-178.3174.40000110.9H110 R112 L115V83-H110 WeakPolarHBondContact CB-O 3.41Å; V83-H110 WeakPolarHBondContact CG2-O 3.37Å; V83-H110 PolarHBondContact N-O 2.95Å; V83-R112 HydrophobicContact CG2-CB 4.09Å; V83-R112 HydrophobicContact CG2-CG 3.95Å; V83-L115 HydrophobicContact CG2-CD1 3.92Å
84I85.9Confident81.8Confident93 Ų9381 Ų8148%0.47745%0.453SS..SBendtrans-93.8120.5169.5-55.6173000107.2C82 H86 H110C82-I84 VanDerWaalsContact C-N 3.35Å; I84-H86 PolarHBondContact O-CD2 3.28Å; I84-H110 HydrophobicContact CD1-CB 4.36Å; I84-H110 HydrophobicContact CG1-CB 4.41Å
85K84.1Confident81.8Confident205 Ų20579.2 Ų79.289%0.89146%0.457SS*.  trans-76.6129.7177.8-64.8-178-179.8178.80109.7
86H81.5Confident82Confident29 Ų2979.1 Ų79.113%0.13446%0.456CS..  trans-126.8105.1169.240.987.6000107.8C75 M77 I84 V89 H110C75-H86 PolarHBondContact O-CE1 3.49Å; C75-H86 VanDerWaalsContact O-CE1 3.32Å; C75-H86 PolarHBondContact SG-CE1 3.33Å; C75-H86 PolarHBondContact SG-NE2 3.25Å; M77-H86 VanDerWaalsContact SD-O 3.39Å; I84-H86 PolarHBondContact O-CD2 3.28Å; H86-V89 PolarHBondContact ND1-O 3.08Å; H86-H110 AromaticContact CD2-CE1 3.38Å; H86-H110 PolarHBondContact CD2-CE1 3.46Å; H86-H110 AromaticContact CD2-NE2 3.59Å; H86-H110 AromaticContact NE2-CE1 3.38Å; H86-H110 PolarHBondContact NE2-CE1 3.07Å; H86-H110 AromaticContact NE2-NE2 3.07Å; H86-H110 PolarHBondContact NE2-NE2 3.4Å
87A76.4Confident82.5Confident88 Ų8877.8 Ų77.873%0.72745%0.451SS*.  trans-85.7125.1-176.700000110.2M77 V89M77-A87 VanDerWaalsContact SD-CA 3.56Å; M77-A87 HydrophobicContact SD-CB 4.49Å; A87-V89 PolarHBondContact O-N 2.97Å; A87-V89 VanDerWaalsContact O-N 3.13Å
88G75.6Confident83.7Confident69 Ų6974.9 Ų74.971%0.71145%0.447SS*.SBendtrans72.30.7171.400000116.2M77M77-G88 PolarHBondContact SD-N 3.16Å
89V83.1Confident85Confident100 Ų10067.2 Ų67.261%0.60642%0.421SS*.SBendtrans-133.6144.1-177.2-171.70000110.1H86 A87 S91H86-V89 PolarHBondContact ND1-O 3.08Å; A87-V89 PolarHBondContact O-N 2.97Å; A87-V89 VanDerWaalsContact O-N 3.13Å; V89-S91 PolarHBondContact O-N 3.14Å
90Y86.9Confident86.6Confident125 Ų12568 Ų6849%0.4942%0.421SS..  trans-75.9121.3169.8-58.9-46000109.9M76 T92M76-Y90 HydrophobicContact CB-CD1 4.19Å; M76-Y90 HydrophobicContact CB-CE1 4.11Å; M76-Y90 HydrophobicContact CE-CD1 3.83Å; M76-Y90 HydrophobicContact CE-CE1 3.09Å; M76-Y90 HydrophobicContact CE-CE2 3.98Å; M76-Y90 VanDerWaalsContact CE-OH 3.22Å; M76-Y90 WeakPolarHBondContact CE-OH 3.29Å; M76-Y90 HydrophobicContact CG-CD1 4.26Å; M76-Y90 HydrophobicContact CG-CE1 4.25Å; M76-Y90 HydrophobicContact SD-CD1 3.2Å; M76-Y90 WeakPolarHBondContact SD-CD1 3.39Å; M76-Y90 HydrophobicContact SD-CD2 4.23Å; M76-Y90 HydrophobicContact SD-CE1 3.18Å; M76-Y90 WeakPolarHBondContact SD-CE1 3.19Å; M76-Y90 HydrophobicContact SD-CE2 4.21Å; M76-Y90 HydrophobicContact SD-CG 3.74Å; Y90-T92 PolarHBondContact O-N 3.39Å
91S88.3Confident87.9Confident13 Ų1362.6 Ų62.69%0.09138%0.383CS..EExtended strand (participates in β ladder)trans-74.8124.9171.4-173.30000109.6K74 C75 V89 A95 M96K74-S91 CarbonylContact C-O 3.52Å; K74-S91 VanDerWaalsContact CA-O 3.29Å; K74-S91 WeakPolarHBondContact CA-O 3.27Å; C75-S91 PolarHBondContact N-O 3.06Å; C75-S91 PolarHBondContact O-N 3.35Å; V89-S91 PolarHBondContact O-N 3.14Å; S91-A95 WeakPolarHBondContact OG-CB 3.29Å; S91-A95 PolarHBondContact OG-O 3.23Å; S91-M96 WeakPolarHBondContact OG-CA 3.34Å; S91-M96 PolarHBondContact OG-N 2.77Å; S91-M96 VanDerWaalsContact OG-N 3.17Å
92T90.3Very high88.4Confident81 Ų8165.4 Ų65.450%0.49740%0.398SS..EExtended strand (participates in β ladder)trans-131.3169.1-177.859.10000110.5K74 Y90 A95K74-T92 HydrophobicContact CB-CG2 3.87Å; Y90-T92 PolarHBondContact O-N 3.39Å; T92-A95 WeakPolarHBondContact O-CB 3.45Å; T92-A95 PolarHBondContact O-N 2.76Å
93G90.4Very high88.7Confident21 Ų2168.5 Ų68.522%0.21641%0.41CS..G310 helixtrans60-145.3178.400000112P65 A95 M96P65-G93 WeakPolarHBondContact CG-O 3.45Å; G93-A95 PolarHBondContact O-N 3.32Å; G93-M96 VanDerWaalsContact O-CG 3.23Å; G93-M96 WeakPolarHBondContact O-CG 3.18Å; G93-M96 PolarHBondContact O-N 2.68Å
94L90.8Very high88.9Confident95 Ų9565 Ų6550%0.49739%0.389SS..G310 helixtrans-65.6-19.8180-62.8176.5000113.6I61 M96 V97 W107I61-L94 HydrophobicContact CG2-CD1 4.44Å; I61-L94 HydrophobicContact CG2-CD2 4.16Å; L94-M96 PolarHBondContact O-N 3.38Å; L94-V97 HydrophobicContact CD2-CG2 4.45Å; L94-V97 WeakPolarHBondContact O-CB 3.13Å; L94-V97 PolarHBondContact O-N 3.27Å; L94-W107 HydrophobicContact CD2-CZ2 4.26Å
95A89.9Confident89.3Confident63 Ų6361.4 Ų61.452%0.52137%0.37SS..G310 helixtrans-68.2-19-179.600000113.7S91 T92 G93 H110S91-A95 WeakPolarHBondContact OG-CB 3.29Å; S91-A95 PolarHBondContact OG-O 3.23Å; T92-A95 WeakPolarHBondContact O-CB 3.45Å; T92-A95 PolarHBondContact O-N 2.76Å; G93-A95 PolarHBondContact O-N 3.32Å; A95-H110 PolarHBondContact O-ND1 2.96Å
96M90.6Very high89.8Confident3 Ų351.6 Ų51.62%0.01533%0.327CS..G310 helixtrans-91.4-9.5176.973.1173.4-75.600113.7P65 K72 K74 S91 G93 L94 C109 H110P65-M96 HydrophobicContact CG-CG 4.28Å; P65-M96 HydrophobicContact CG-SD 4.49Å; K72-M96 WeakPolarHBondContact O-CE 3.09Å; K74-M96 PolarHBondContact N-SD 2.68Å; K74-M96 VanDerWaalsContact N-SD 3.4Å; S91-M96 WeakPolarHBondContact OG-CA 3.34Å; S91-M96 PolarHBondContact OG-N 2.77Å; S91-M96 VanDerWaalsContact OG-N 3.17Å; G93-M96 VanDerWaalsContact O-CG 3.23Å; G93-M96 WeakPolarHBondContact O-CG 3.18Å; G93-M96 PolarHBondContact O-N 2.68Å; L94-M96 PolarHBondContact O-N 3.38Å; M96-C109 HydrophobicContact CE-CB 3.85Å; M96-C109 CarbonylContact O-C 3.51Å; M96-C109 WeakPolarHBondContact O-CA 3.49Å; M96-C109 WeakPolarHBondContact O-CB 3.3Å; M96-H110 PolarHBondContact O-N 2.79Å
97V92.8Very high90.5Very high25 Ų2551.4 Ų51.415%0.15233%0.325CS..EExtended strand (participates in β ladder)trans-76137.9-177.8177.30000109.4P65 L94 W107P65-V97 HydrophobicContact CB-CG2 3.87Å; P65-V97 HydrophobicContact CG-CG2 3.83Å; L94-V97 HydrophobicContact CD2-CG2 4.45Å; L94-V97 WeakPolarHBondContact O-CB 3.13Å; L94-V97 PolarHBondContact O-N 3.27Å; V97-W107 HydrophobicContact CB-CE3 4.33Å; V97-W107 HydrophobicContact CG1-CD2 3.91Å; V97-W107 HydrophobicContact CG1-CE3 3.19Å; V97-W107 HydrophobicContact CG1-CG 4.5Å; V97-W107 HydrophobicContact CG1-CZ3 3.63Å; V97-W107 HydrophobicContact CG2-CB 4.33Å; V97-W107 HydrophobicContact CG2-CD2 4.08Å; V97-W107 HydrophobicContact CG2-CE3 4.21Å; V97-W107 HydrophobicContact CG2-CG 4.17Å
98G93.3Very high91.4Very high40 Ų4047.5 Ų47.541%0.41229%0.292SS..EExtended strand (participates in β ladder)trans-118.7-30.9175.700000114.1V108G98-V108 PolarHBondContact N-O 3.38Å
99A94.9Very high92.3Very high40 Ų4044.7 Ų44.733%0.33126%0.261SS..EExtended strand (participates in β ladder)trans-158.5167.7178.700000111.6V108 L115A99-V108 PolarHBondContact N-O 2.56Å; A99-V108 VanDerWaalsContact N-O 3.16Å; A99-V108 PolarHBondContact O-N 3.08Å; A99-L115 HydrophobicContact CB-CD2 3.57Å
100I95.8Very high92.7Very high64 Ų6440 Ų4033%0.32823%0.233SC..EExtended strand (participates in β ladder)trans-106.7140.6164.5-58.5171.3000107.1A53 F54 W107A53-I100 HydrophobicContact CB-CD1 3.95Å; A53-I100 HydrophobicContact CB-CG1 4.02Å; A53-I100 HydrophobicContact CB-CG2 4.12Å; F54-I100 HydrophobicContact CE2-CD1 3.62Å; F54-I100 HydrophobicContact CZ-CD1 3.91Å; I100-W107 HydrophobicContact CD1-CE3 4.16Å; I100-W107 HydrophobicContact CD1-CH2 3.8Å; I100-W107 HydrophobicContact CD1-CZ3 3.42Å; I100-W107 VanDerWaalsContact CD1-CZ3 3.42Å; I100-W107 HydrophobicContact CG1-CE3 3.44Å; I100-W107 VanDerWaalsContact CG1-CE3 3.44Å; I100-W107 HydrophobicContact CG1-CH2 4.03Å; I100-W107 HydrophobicContact CG1-CZ3 3.16Å
101C95.6Very high93Very high7 Ų734.4 Ų34.45%0.04721%0.214CC..  trans-86.8127174.8-175.70000111.1F103 C104 E105 A106 V108 H118C101-F103 PolarHBondContact O-N 2.93Å; C101-C104 WeakPolarHBondContact CB-SG 3.45Å; C101-C104 VanDerWaalsContact SG-SG 3.68Å; C101-E105 WeakPolarHBondContact O-CA 3.48Å; C101-E105 PolarHBondContact O-N 2.9Å; C101-A106 PolarHBondContact N-O 3.15Å; C101-V108 HydrophobicContact CB-CG2 4.24Å; C101-H118 VanDerWaalsContact CB-CD2 3.49Å; C101-H118 WeakPolarHBondContact CB-CD2 3.3Å; C101-H118 WeakPolarHBondContact CB-NE2 3.45Å; C101-H118 PolarHBondContact SG-CD2 3.2Å; C101-H118 PolarHBondContact SG-NE2 2.91Å
102D93Very high93.1Very high125 Ų12540.1 Ų40.167%0.66823%0.233SC*.THydrogen-bonded Turntrans-65-18.2178.3-59.2-29.5000113.7W137D102-W137 VanDerWaalsContact O-CZ2 3.27Å; D102-W137 WeakPolarHBondContact O-CZ2 3.47Å; D102-W137 PolarHBondContact O-NE1 2.68Å; D102-W137 VanDerWaalsContact O-NE1 3.14Å
103F94Very high93.1Very high80 Ų8043.4 Ų43.435%0.35124%0.241SC..THydrogen-bonded Turntrans-90.6-48.2-178.4-60.8-61000113.1C101 A119 C122 A125C101-F103 PolarHBondContact O-N 2.93Å; F103-A119 HydrophobicContact CE2-CB 4.37Å; F103-A119 VanDerWaalsContact CE2-O 3.3Å; F103-A119 WeakPolarHBondContact CE2-O 3.42Å; F103-C122 HydrophobicContact CB-CB 4.15Å; F103-C122 HydrophobicContact CD2-CB 3.95Å; F103-C122 HydrophobicContact CG-CB 4.39Å; F103-A125 HydrophobicContact CB-CB 4.31Å; F103-A125 HydrophobicContact CD1-CB 3.79Å; F103-A125 HydrophobicContact CD2-CB 4.17Å; F103-A125 HydrophobicContact CE1-CB 4.12Å; F103-A125 HydrophobicContact CE2-CB 4.48Å; F103-A125 HydrophobicContact CG-CB 3.82Å; F103-A125 HydrophobicContact CZ-CB 4.46Å
104C93.7Very high93.3Very high0 Ų043 Ų430%023%0.234CC..THydrogen-bonded Turntrans-104-5.6-174.666.30000113.9C36 K50 C101 A106 H118 L124C36-C104 HydrophobicContact CB-CB 4.01Å; K50-C104 PolarHBondContact NZ-O 2.8Å; C101-C104 WeakPolarHBondContact CB-SG 3.45Å; C101-C104 VanDerWaalsContact SG-SG 3.68Å; C104-A106 PolarHBondContact O-N 2.92Å; C104-H118 PolarHBondContact SG-NE2 2.73Å; C104-L124 HydrophobicContact CB-CB 4.09Å; C104-L124 HydrophobicContact CB-CD1 3.8Å; C104-L124 HydrophobicContact CB-CG 4.4Å
105E93.7Very high93.4Very high16 Ų1641.3 Ų41.38%0.07523%0.225CC..  trans56.511.7-173.7-72.7175.1-116.400115.3R52 A53 C101 W137R52-E105 CarbonylContact C-O 3.54Å; R52-E105 HydrophobicContact CG-CB 4.35Å; R52-E105 IonicContact CZ-OE1 2.78Å; R52-E105 IonicContact CZ-OE2 2.75Å; R52-E105 IonicContact NH1-OE1 3.04Å; R52-E105 PolarHBondContact NH1-OE1 3.34Å; R52-E105 IonicContact NH1-OE2 3.41Å; R52-E105 PolarHBondContact NH1-OE2 3.36Å; A53-E105 VanDerWaalsContact CB-O 3.23Å; A53-E105 WeakPolarHBondContact CB-O 3.49Å; A53-E105 PolarHBondContact N-O 3.42Å; C101-E105 WeakPolarHBondContact O-CA 3.48Å; C101-E105 PolarHBondContact O-N 2.9Å; E105-W137 VanDerWaalsContact CD-CD2 3.43Å; E105-W137 HydrophobicContact CG-CD2 3.85Å; E105-W137 HydrophobicContact CG-CE3 3.87Å; E105-W137 HydrophobicContact CG-CH2 3.41Å; E105-W137 VanDerWaalsContact CG-CH2 3.41Å; E105-W137 HydrophobicContact CG-CZ2 3.37Å; E105-W137 HydrophobicContact CG-CZ3 3.66Å; E105-W137 WeakPolarHBondContact OE1-CA 3.43Å
106A95.1Very high93.4Very high0 Ų042.3 Ų42.30%023%0.229CC..  trans-92.3155.5-177.500000112N51 A68 C101 C104N51-A106 WeakPolarHBondContact O-CB 3.37Å; A68-A106 HydrophobicContact CB-CB 3.58Å; C101-A106 PolarHBondContact N-O 3.15Å; C104-A106 PolarHBondContact O-N 2.92Å
107W95.8Very high93.4Very high25 Ų2544.2 Ų44.210%0.09524%0.241CC..EExtended strand (participates in β ladder)trans-63.8136.8175.3-64.9120.8000111.7A53 I61 P65 C67 A68 L94 V97 I100A53-W107 HydrophobicContact CB-CD2 3.65Å; A53-W107 VanDerWaalsContact CB-CE2 3.45Å; A53-W107 HydrophobicContact CB-CE3 3.89Å; A53-W107 HydrophobicContact CB-CG 4.28Å; A53-W107 HydrophobicContact CB-CH2 3.8Å; A53-W107 HydrophobicContact CB-CZ2 3.5Å; A53-W107 HydrophobicContact CB-CZ3 4.01Å; I61-W107 HydrophobicContact CG2-CZ2 4.14Å; P65-W107 HydrophobicContact CB-CB 4.05Å; P65-W107 HydrophobicContact CB-CG 3.76Å; C67-W107 CarbonylContact C-O 3.48Å; C67-W107 WeakPolarHBondContact CA-O 3.4Å; A68-W107 WeakPolarHBondContact CB-O 3.32Å; A68-W107 PolarHBondContact N-O 3.24Å; L94-W107 HydrophobicContact CD2-CZ2 4.26Å; V97-W107 HydrophobicContact CB-CE3 4.33Å; V97-W107 HydrophobicContact CG1-CD2 3.91Å; V97-W107 HydrophobicContact CG1-CE3 3.19Å; V97-W107 HydrophobicContact CG1-CG 4.5Å; V97-W107 HydrophobicContact CG1-CZ3 3.63Å; V97-W107 HydrophobicContact CG2-CB 4.33Å; V97-W107 HydrophobicContact CG2-CD2 4.08Å; V97-W107 HydrophobicContact CG2-CE3 4.21Å; V97-W107 HydrophobicContact CG2-CG 4.17Å; I100-W107 HydrophobicContact CD1-CE3 4.16Å; I100-W107 HydrophobicContact CD1-CH2 3.8Å; I100-W107 HydrophobicContact CD1-CZ3 3.42Å; I100-W107 VanDerWaalsContact CD1-CZ3 3.42Å; I100-W107 HydrophobicContact CG1-CE3 3.44Å; I100-W107 VanDerWaalsContact CG1-CE3 3.44Å; I100-W107 HydrophobicContact CG1-CH2 4.03Å; I100-W107 HydrophobicContact CG1-CZ3 3.16Å
108V95.6Very high93.4Very high5 Ų543.2 Ų43.23%0.0323%0.234CC..EExtended strand (participates in β ladder)trans-112.7128.5168.4-174.40000108A68 G98 A99 C101 C114 L115 H118A68-V108 HydrophobicContact CB-CG2 4.45Å; G98-V108 PolarHBondContact N-O 3.38Å; A99-V108 PolarHBondContact N-O 2.56Å; A99-V108 VanDerWaalsContact N-O 3.16Å; A99-V108 PolarHBondContact O-N 3.08Å; C101-V108 HydrophobicContact CB-CG2 4.24Å; V108-C114 HydrophobicContact CG1-CB 3.76Å; V108-L115 HydrophobicContact CB-CD2 4.32Å; V108-L115 HydrophobicContact CG1-CD2 3.97Å; V108-H118 HydrophobicContact CG1-CB 4.25Å; V108-H118 HydrophobicContact CG2-CB 4.2Å; V108-H118 VanDerWaalsContact CG2-CD2 3.43Å; V108-H118 WeakPolarHBondContact CG2-CD2 3.32Å
109C94.4Very high93.2Very high10 Ų1043.8 Ų43.87%0.06824%0.236CC..EExtended strand (participates in β ladder)trans-66.3158.7179.371.70000111.5C67 M96 G111 C114 L115C67-C109 HydrophobicContact CB-CB 3.92Å; C67-C109 PolarHBondContact SG-N 2.7Å; M96-C109 HydrophobicContact CE-CB 3.85Å; M96-C109 CarbonylContact O-C 3.51Å; M96-C109 WeakPolarHBondContact O-CA 3.49Å; M96-C109 WeakPolarHBondContact O-CB 3.3Å; C109-G111 PolarHBondContact O-N 3.2Å; C109-C114 VanDerWaalsContact SG-SG 3.63Å; C109-L115 WeakPolarHBondContact O-CG 3.48Å
110H92.6Very high92.8Very high1 Ų146 Ų461%0.00525%0.247CC..SBendtrans-68.611178.962.4-160.3000115C75 C82 V83 I84 H86 A95 M96 R112C75-H110 WeakPolarHBondContact CB-NE2 3.17Å; C75-H110 PolarHBondContact SG-NE2 3.22Å; C82-H110 PolarHBondContact SG-CD2 2.83Å; C82-H110 PolarHBondContact SG-NE2 3.43Å; V83-H110 WeakPolarHBondContact CB-O 3.41Å; V83-H110 WeakPolarHBondContact CG2-O 3.37Å; V83-H110 PolarHBondContact N-O 2.95Å; I84-H110 HydrophobicContact CD1-CB 4.36Å; I84-H110 HydrophobicContact CG1-CB 4.41Å; H86-H110 AromaticContact CD2-CE1 3.38Å; H86-H110 PolarHBondContact CD2-CE1 3.46Å; H86-H110 AromaticContact CD2-NE2 3.59Å; H86-H110 AromaticContact NE2-CE1 3.38Å; H86-H110 PolarHBondContact NE2-CE1 3.07Å; H86-H110 AromaticContact NE2-NE2 3.07Å; H86-H110 PolarHBondContact NE2-NE2 3.4Å; A95-H110 PolarHBondContact O-ND1 2.96Å; M96-H110 PolarHBondContact O-N 2.79Å; H110-R112 PolarHBondContact O-N 3.01Å
111G91.6Very high92.5Very high9 Ų945.3 Ų45.39%0.09324%0.244CC..BIsolated β-bridgetrans-68.3126.7174.300000109.9C109 K113 C114 L115C109-G111 PolarHBondContact O-N 3.2Å; G111-K113 VanDerWaalsContact C-N 3.26Å; G111-K113 PolarHBondContact O-N 3.18Å; G111-C114 WeakPolarHBondContact O-CA 3.25Å; G111-C114 PolarHBondContact O-N 3.47Å; G111-L115 PolarHBondContact O-N 3.29Å
112R91.3Very high92.4Very high132 Ų13245 Ų4550%0.49824%0.241SC..Hα-helixtrans-56.8-41.2-176-144.4-176.4-60.7-95.5-2.5111.5D81 V83 H110 C114 S116D81-R112 VanDerWaalsContact CG-CB 3.47Å; D81-R112 WeakPolarHBondContact O-CB 3.4Å; D81-R112 PolarHBondContact O-N 2.92Å; D81-R112 WeakPolarHBondContact OD1-CB 3.26Å; D81-R112 WeakPolarHBondContact OD1-CD 3.21Å; D81-R112 IonicContact OD1-NE 3.76Å; D81-R112 PolarHBondContact OD1-NE 3.14Å; D81-R112 VanDerWaalsContact OD1-NE 3.12Å; D81-R112 WeakPolarHBondContact OD2-CB 3.3Å; V83-R112 HydrophobicContact CG2-CB 4.09Å; V83-R112 HydrophobicContact CG2-CG 3.95Å; H110-R112 PolarHBondContact O-N 3.01Å; R112-C114 PolarHBondContact O-N 2.65Å; R112-S116 VanDerWaalsContact O-CB 3.29Å; R112-S116 WeakPolarHBondContact O-CB 3.37Å; R112-S116 PolarHBondContact O-N 3.44Å; R112-S116 PolarHBondContact O-OG 3.33Å
113K91.2Very high92.3Very high150 Ų15039.3 Ų39.365%0.65221%0.212SC*.Hα-helixtrans-56.5-45.9170.6-174.3177.3179.8179.90112.9D81 G111 S116 T117D81-K113 PolarHBondContact OD2-N 2.9Å; D81-K113 VanDerWaalsContact OD2-N 3.12Å; G111-K113 VanDerWaalsContact C-N 3.26Å; G111-K113 PolarHBondContact O-N 3.18Å; K113-S116 PolarHBondContact O-OG 2.83Å; K113-T117 WeakPolarHBondContact O-CB 3.38Å; K113-T117 VanDerWaalsContact O-CG2 3.31Å; K113-T117 WeakPolarHBondContact O-CG2 3.48Å; K113-T117 PolarHBondContact O-N 3.04Å; K113-T117 PolarHBondContact O-OG1 3.36Å
114C93.4Very high92.2Very high12 Ų1235.6 Ų35.68%0.08120%0.196CC..Hα-helixtrans-68.2-47.4-177.7-65.60000111.3Q69 V108 C109 G111 R112 S116 T117 H118Q69-C114 HydrophobicContact CB-CB 4.03Å; Q69-C114 HydrophobicContact CG-CB 4.15Å; V108-C114 HydrophobicContact CG1-CB 3.76Å; C109-C114 VanDerWaalsContact SG-SG 3.63Å; G111-C114 WeakPolarHBondContact O-CA 3.25Å; G111-C114 PolarHBondContact O-N 3.47Å; R112-C114 PolarHBondContact O-N 2.65Å; C114-S116 PolarHBondContact O-N 3.23Å; C114-T117 PolarHBondContact O-N 3.49Å; C114-H118 WeakPolarHBondContact O-CB 3.49Å; C114-H118 PolarHBondContact O-N 2.86Å
115L92.7Very high92Very high60 Ų6036.7 Ų36.731%0.31420%0.204SC..Hα-helixtrans-61.6-41.3179.2-66.8174000112.9V83 A99 V108 C109 G111V83-L115 HydrophobicContact CG2-CD1 3.92Å; A99-L115 HydrophobicContact CB-CD2 3.57Å; V108-L115 HydrophobicContact CB-CD2 4.32Å; V108-L115 HydrophobicContact CG1-CD2 3.97Å; C109-L115 WeakPolarHBondContact O-CG 3.48Å; G111-L115 PolarHBondContact O-N 3.29Å
116S90.6Very high91.7Very high85 Ų8541 Ų4159%0.59423%0.228SC*.Hα-helixtrans-77.1-20.6-177.757.80000114.4R112 K113 C114R112-S116 VanDerWaalsContact O-CB 3.29Å; R112-S116 WeakPolarHBondContact O-CB 3.37Å; R112-S116 PolarHBondContact O-N 3.44Å; R112-S116 PolarHBondContact O-OG 3.33Å; K113-S116 PolarHBondContact O-OG 2.83Å; C114-S116 PolarHBondContact O-N 3.23Å
117T90.2Very high91.6Very high43 Ų4341.4 Ų41.426%0.26423%0.231SC..Hα-helixtrans-107.6-37.9-173.858.70000113.3K113 C114 A119 C120 I121K113-T117 WeakPolarHBondContact O-CB 3.38Å; K113-T117 VanDerWaalsContact O-CG2 3.31Å; K113-T117 WeakPolarHBondContact O-CG2 3.48Å; K113-T117 PolarHBondContact O-N 3.04Å; K113-T117 PolarHBondContact O-OG1 3.36Å; C114-T117 PolarHBondContact O-N 3.49Å; T117-A119 PolarHBondContact O-N 3.23Å; T117-C120 WeakPolarHBondContact O-CB 3.36Å; T117-C120 PolarHBondContact O-N 3.21Å; T117-I121 WeakPolarHBondContact O-CG1 3.3Å; T117-I121 PolarHBondContact O-N 2.89Å
118H92.8Very high91.5Very high3 Ų345.6 Ų45.61%0.01425%0.252CS..Hα-helixtrans-56.7-50.9-164.1-176.965.6000113.6Q69 C101 C104 V108 C114 C120 I121 C122Q69-H118 HydrophobicContact CB-CB 4.12Å; Q69-H118 HydrophobicContact CG-CB 4.34Å; Q69-H118 PolarHBondContact OE1-ND1 2.9Å; C101-H118 VanDerWaalsContact CB-CD2 3.49Å; C101-H118 WeakPolarHBondContact CB-CD2 3.3Å; C101-H118 WeakPolarHBondContact CB-NE2 3.45Å; C101-H118 PolarHBondContact SG-CD2 3.2Å; C101-H118 PolarHBondContact SG-NE2 2.91Å; C104-H118 PolarHBondContact SG-NE2 2.73Å; V108-H118 HydrophobicContact CG1-CB 4.25Å; V108-H118 HydrophobicContact CG2-CB 4.2Å; V108-H118 VanDerWaalsContact CG2-CD2 3.43Å; V108-H118 WeakPolarHBondContact CG2-CD2 3.32Å; C114-H118 WeakPolarHBondContact O-CB 3.49Å; C114-H118 PolarHBondContact O-N 2.86Å; H118-C120 PolarHBondContact O-N 3.42Å; H118-I121 CarbonylContact O-C 3.55Å; H118-I121 PolarHBondContact O-N 2.95Å; H118-I121 VanDerWaalsContact O-N 3.16Å; H118-C122 WeakPolarHBondContact O-CA 3.38Å; H118-C122 WeakPolarHBondContact O-CB 3.19Å; H118-C122 PolarHBondContact O-N 2.84Å
119A89.4Confident91.5Very high53 Ų5345.6 Ų45.644%0.43825%0.252SS..Hα-helixtrans-58.9-36-179.300000112.5F103 T117F103-A119 HydrophobicContact CE2-CB 4.37Å; F103-A119 VanDerWaalsContact CE2-O 3.3Å; F103-A119 WeakPolarHBondContact CE2-O 3.42Å; T117-A119 PolarHBondContact O-N 3.23Å
120C87.2Confident91.4Very high85 Ų8548.8 Ų48.857%0.57427%0.267SS*.Hα-helixtrans-72.5-31.2-179.4-65.60000113.2T117 H118T117-C120 WeakPolarHBondContact O-CB 3.36Å; T117-C120 PolarHBondContact O-N 3.21Å; H118-C120 PolarHBondContact O-N 3.42Å
121I89.3Confident91.5Very high50 Ų5053.6 Ų53.626%0.25629%0.29SS..Hα-helixtrans-112.67.8-174.468.6-176.4000112.8I22 T117 H118 P123I22-I121 HydrophobicContact CD1-CG2 3.96Å; I22-I121 HydrophobicContact CG1-CG2 4.12Å; I22-I121 HydrophobicContact CG2-CB 4.44Å; I22-I121 HydrophobicContact CG2-CG2 3.99Å; T117-I121 WeakPolarHBondContact O-CG1 3.3Å; T117-I121 PolarHBondContact O-N 2.89Å; H118-I121 CarbonylContact O-C 3.55Å; H118-I121 PolarHBondContact O-N 2.95Å; H118-I121 VanDerWaalsContact O-N 3.16Å; I121-P123 VanDerWaalsContact O-CD 3.3Å; I121-P123 WeakPolarHBondContact O-CD 3.24Å; I121-P123 VanDerWaalsContact O-N 3.1Å
122C91.9Very high91.6Very high0 Ų055.1 Ų55.10%030%0.299CS..  trans-53.9121.6-175.7-169.10000108.8R26 F103 H118 L124 A125R26-C122 PolarHBondContact NE-O 2.72Å; R26-C122 PolarHBondContact NH2-O 3.39Å; R26-C122 VanDerWaalsContact NH2-O 3.14Å; F103-C122 HydrophobicContact CB-CB 4.15Å; F103-C122 HydrophobicContact CD2-CB 3.95Å; F103-C122 HydrophobicContact CG-CB 4.39Å; H118-C122 WeakPolarHBondContact O-CA 3.38Å; H118-C122 WeakPolarHBondContact O-CB 3.19Å; H118-C122 PolarHBondContact O-N 2.84Å; C122-L124 PolarHBondContact O-N 2.79Å; C122-A125 HydrophobicContact CB-CB 4.41Å; C122-A125 PolarHBondContact O-N 3.04Å
123P91.1Very high91.8Very high7 Ų756 Ų565%0.04531%0.309CS..THydrogen-bonded Turntrans-64.6-26.1-179.8-24.235.1000112.5I29 L31 I121I29-P123 HydrophobicContact CD1-CG 4.1Å; I29-P123 HydrophobicContact CG2-CB 4.37Å; I29-P123 HydrophobicContact CG2-CG 4.01Å; L31-P123 HydrophobicContact CD1-CB 3.61Å; I121-P123 VanDerWaalsContact O-CD 3.3Å; I121-P123 WeakPolarHBondContact O-CD 3.24Å; I121-P123 VanDerWaalsContact O-N 3.1Å
124L92.1Very high91.9Very high2 Ų252.4 Ų52.41%0.0129%0.291CS..THydrogen-bonded Turntrans-93.410.7-176.5-61.5-176.5000113.9L31 K50 C104 C122 D126 A127 V136 I143L31-L124 HydrophobicContact CD1-CD2 3.68Å; L31-L124 HydrophobicContact CD1-CG 4.32Å; L31-L124 HydrophobicContact CD2-CD2 4.07Å; L31-L124 HydrophobicContact CG-CD2 4.35Å; K50-L124 HydrophobicContact CD-CD1 4.41Å; C104-L124 HydrophobicContact CB-CB 4.09Å; C104-L124 HydrophobicContact CB-CD1 3.8Å; C104-L124 HydrophobicContact CB-CG 4.4Å; C122-L124 PolarHBondContact O-N 2.79Å; L124-D126 VanDerWaalsContact C-N 3.31Å; L124-D126 PolarHBondContact O-N 3.02Å; L124-A127 HydrophobicContact CB-CB 4.15Å; L124-A127 HydrophobicContact CD2-CB 3.79Å; L124-A127 PolarHBondContact O-N 3.04Å; L124-V136 HydrophobicContact CB-CG2 4.02Å; L124-V136 HydrophobicContact CD1-CG2 4.48Å; L124-I143 HydrophobicContact CD2-CB 3.98Å; L124-I143 HydrophobicContact CD2-CD1 4.05Å; L124-I143 HydrophobicContact CD2-CG1 4.44Å; L124-I143 HydrophobicContact CD2-CG2 4.24Å
125A90.6Very high91.8Very high22 Ų2253.6 Ų53.618%0.18230%0.299CS..THydrogen-bonded Turntrans-63.2-35.2-177.500000114R26 F103 C122R26-A125 VanDerWaalsContact NH2-CB 3.26Å; F103-A125 HydrophobicContact CB-CB 4.31Å; F103-A125 HydrophobicContact CD1-CB 3.79Å; F103-A125 HydrophobicContact CD2-CB 4.17Å; F103-A125 HydrophobicContact CE1-CB 4.12Å; F103-A125 HydrophobicContact CE2-CB 4.48Å; F103-A125 HydrophobicContact CG-CB 3.82Å; F103-A125 HydrophobicContact CZ-CB 4.46Å; C122-A125 HydrophobicContact CB-CB 4.41Å; C122-A125 PolarHBondContact O-N 3.04Å
126D87.9Confident91.7Very high108 Ų10850.9 Ų50.958%0.57829%0.285SS*.THydrogen-bonded Turntrans-116.426.7-179.3-47.2-45000110.3R26 L124 F152R26-D126 IonicContact CZ-OD2 2.76Å; R26-D126 IonicContact NH1-OD2 2.68Å; R26-D126 PolarHBondContact NH1-OD2 2.79Å; L124-D126 VanDerWaalsContact C-N 3.31Å; L124-D126 PolarHBondContact O-N 3.02Å; D126-F152 WeakPolarHBondContact O-CD2 3.34Å; D126-F152 VanDerWaalsContact O-CE2 3.29Å; D126-F152 WeakPolarHBondContact O-CE2 3.41Å
127A91.7Very high91.7Very high7 Ų753.4 Ų53.46%0.05828%0.282CS..  trans-87.2113.3-174.300000111.5L124 V136 I143 F152L124-A127 HydrophobicContact CB-CB 4.15Å; L124-A127 HydrophobicContact CD2-CB 3.79Å; L124-A127 PolarHBondContact O-N 3.04Å; A127-V136 HydrophobicContact CB-CG2 3.95Å; A127-I143 HydrophobicContact CB-CD1 3.86Å; A127-I143 HydrophobicContact CB-CG2 4.35Å; A127-F152 HydrophobicContact CB-CD1 4.08Å; A127-F152 HydrophobicContact CB-CD2 4.19Å; A127-F152 HydrophobicContact CB-CE1 4.17Å; A127-F152 HydrophobicContact CB-CE2 4.28Å; A127-F152 HydrophobicContact CB-CG 4.07Å; A127-F152 HydrophobicContact CB-CZ 4.27Å
128E94.3Very high91.8Very high114 Ų11455.1 Ų55.153%0.53329%0.289SS..BIsolated β-bridgetrans-141.2129.9176.9-177.7-179.9177.600107.8I130 F152E128-I130 PolarHBondContact O-N 3.39Å; E128-F152 WeakPolarHBondContact O-CB 3.43Å
129C94.7Very high91.7Very high4 Ų455.2 Ų55.23%0.02729%0.29CS..  trans-68.2127.8-179.2-171.50000110.5E131 C132 E133 R134 F152 C154 D157C129-E131 VanDerWaalsContact C-N 3.3Å; C129-E131 PolarHBondContact O-N 2.78Å; C129-C132 VanDerWaalsContact CB-SG 3.51Å; C129-C132 VanDerWaalsContact SG-SG 3.63Å; C129-E133 WeakPolarHBondContact O-CA 3.41Å; C129-E133 PolarHBondContact O-N 3.28Å; C129-R134 PolarHBondContact N-O 3.04Å; C129-F152 WeakPolarHBondContact CA-O 3.35Å; C129-C154 HydrophobicContact CB-CB 4.29Å; C129-C154 PolarHBondContact SG-N 3.01Å; C129-D157 PolarHBondContact SG-OD2 2.77Å
130I93.8Very high91.7Very high77 Ų7753 Ų5340%0.39527%0.271SS..THydrogen-bonded Turntrans-69.9-26.2-180-169.2163.4000113.6E128 N151 F152 L153E128-I130 PolarHBondContact O-N 3.39Å; I130-N151 HydrophobicContact CB-CB 4.27Å; I130-N151 HydrophobicContact CD1-CB 4.15Å; I130-N151 WeakPolarHBondContact CD1-ND2 3.43Å; I130-N151 HydrophobicContact CG2-CB 4.1Å; I130-F152 PolarHBondContact N-O 3.22Å; I130-L153 HydrophobicContact CG2-CD2 3.72Å
131E93.9Very high91.9Very high103 Ų10349.7 Ų49.748%0.48125%0.252SS..THydrogen-bonded Turntrans-83.5-53.8-179.7-61.4-56.314200112.9C129 L153 D157 H161C129-E131 VanDerWaalsContact C-N 3.3Å; C129-E131 PolarHBondContact O-N 2.78Å; E131-L153 HydrophobicContact CG-CD2 4.1Å; E131-D157 HydrophobicContact CB-CB 3.96Å; E131-D157 HydrophobicContact CG-CB 4.12Å; E131-H161 HydrophobicContact CG-CB 4.23Å; E131-H161 IonicContact OE1-CE1 2.68Å; E131-H161 PolarHBondContact OE1-CE1 3.5Å; E131-H161 IonicContact OE1-CG 2.68Å; E131-H161 IonicContact OE1-ND1 3.84Å; E131-H161 PolarHBondContact OE1-ND1 3.45Å
132C94.4Very high92.1Very high41 Ų4150 Ų5028%0.27725%0.25SC..THydrogen-bonded Turntrans-96.40.4-177.665.60000115.3C129 R134 D157C129-C132 VanDerWaalsContact CB-SG 3.51Å; C129-C132 VanDerWaalsContact SG-SG 3.63Å; C132-R134 PolarHBondContact O-N 3.31Å; C132-R134 PolarHBondContact SG-NE 3.25Å; C132-R134 VanDerWaalsContact SG-NE 3.42Å; C132-D157 WeakPolarHBondContact CB-OD2 3.46Å; C132-D157 PolarHBondContact SG-OD2 3.35Å
133E94.3Very high92.2Very high151 Ų15150.1 Ų50.171%0.70625%0.25SS*.  trans55.414.9179.7-57.3-17816800114.5C129C129-E133 WeakPolarHBondContact O-CA 3.41Å; C129-E133 PolarHBondContact O-N 3.28Å
134R93.1Very high92.4Very high73 Ų7350.9 Ų50.928%0.27525%0.253SS..  trans-83.1132.5178.7-72.9-172.4-62.9172.8-0.9110.2C129 C132 D138 D156C129-R134 PolarHBondContact N-O 3.04Å; C132-R134 PolarHBondContact O-N 3.31Å; C132-R134 PolarHBondContact SG-NE 3.25Å; C132-R134 VanDerWaalsContact SG-NE 3.42Å; R134-D138 HydrophobicContact CB-CB 3.94Å; R134-D138 HydrophobicContact CG-CB 4.04Å; R134-D156 IonicContact NH2-OD2 3.36Å
135S91.6Very high92.4Very high37 Ų3752.8 Ų52.826%0.25927%0.269SS..BIsolated β-bridgetrans-77.9172.8172.281.40000110.5W137 D138 H139S135-W137 PolarHBondContact O-N 2.93Å; S135-W137 VanDerWaalsContact O-N 3.09Å; S135-W137 PolarHBondContact OG-N 3.43Å; S135-D138 WeakPolarHBondContact CB-OD2 3.46Å; S135-D138 PolarHBondContact N-OD2 3.2Å; S135-D138 VanDerWaalsContact N-OD2 3.14Å; S135-D138 PolarHBondContact O-N 3.31Å; S135-D138 PolarHBondContact OG-OD2 2.86Å; S135-H139 PolarHBondContact O-CD2 3.48Å; S135-H139 PolarHBondContact O-NE2 3.03Å
136V91.4Very high92.4Very high3 Ų351.7 Ų51.72%0.01826%0.26CS..G310 helixtrans-46.5-42170.6175.20000111.2K50 R52 L124 A127 D138 I143K50-V136 VanDerWaalsContact CE-CG1 3.41Å; K50-V136 VanDerWaalsContact NZ-CG1 3.31Å; R52-V136 PolarHBondContact NH2-O 2.76Å; L124-V136 HydrophobicContact CB-CG2 4.02Å; L124-V136 HydrophobicContact CD1-CG2 4.48Å; A127-V136 HydrophobicContact CB-CG2 3.95Å; V136-D138 PolarHBondContact O-N 2.98Å; V136-I143 HydrophobicContact CB-CD1 4.44Å; V136-I143 HydrophobicContact CG2-CD1 3.52Å
137W91Very high92.5Very high139 Ų13950.5 Ų50.553%0.52726%0.26SS..G310 helixtrans-68.6-22.6-173.7-7077.5000113.8D102 E105 S135D102-W137 VanDerWaalsContact O-CZ2 3.27Å; D102-W137 WeakPolarHBondContact O-CZ2 3.47Å; D102-W137 PolarHBondContact O-NE1 2.68Å; D102-W137 VanDerWaalsContact O-NE1 3.14Å; E105-W137 VanDerWaalsContact CD-CD2 3.43Å; E105-W137 HydrophobicContact CG-CD2 3.85Å; E105-W137 HydrophobicContact CG-CE3 3.87Å; E105-W137 HydrophobicContact CG-CH2 3.41Å; E105-W137 VanDerWaalsContact CG-CH2 3.41Å; E105-W137 HydrophobicContact CG-CZ2 3.37Å; E105-W137 HydrophobicContact CG-CZ3 3.66Å; E105-W137 WeakPolarHBondContact OE1-CA 3.43Å; S135-W137 PolarHBondContact O-N 2.93Å; S135-W137 VanDerWaalsContact O-N 3.09Å; S135-W137 PolarHBondContact OG-N 3.43Å
138D92Very high92.4Very high79 Ų7952.5 Ų52.542%0.42227%0.268SS..G310 helixtrans-993.4-167.8-50.3-58.8000113.4Y56 R134 S135 V136Y56-D138 PolarHBondContact OH-O 3.36Å; R134-D138 HydrophobicContact CB-CB 3.94Å; R134-D138 HydrophobicContact CG-CB 4.04Å; S135-D138 WeakPolarHBondContact CB-OD2 3.46Å; S135-D138 PolarHBondContact N-OD2 3.2Å; S135-D138 VanDerWaalsContact N-OD2 3.14Å; S135-D138 PolarHBondContact O-N 3.31Å; S135-D138 PolarHBondContact OG-OD2 2.86Å; V136-D138 PolarHBondContact O-N 2.98Å
139H90.4Very high92.2Very high5 Ų547.1 Ų47.12%0.02324%0.243CC..  trans-147.4149174.969.779.4000113.3R52 S135 G141 I143R52-H139 PolarHBondContact NH2-O 3.2Å; S135-H139 PolarHBondContact O-CD2 3.48Å; S135-H139 PolarHBondContact O-NE2 3.03Å; H139-G141 PolarHBondContact ND1-O 2.93Å; H139-I143 VanDerWaalsContact CE1-CG1 3.42Å; H139-I143 WeakPolarHBondContact CE1-CG1 3.48Å
140G88.9Confident91.9Very high5 Ų551 Ų515%0.05226%0.26CS..SBendtrans-84.1-22.5-178.900000115Q49 K50Q49-G140 CarbonylContact C-O 3.55Å; Q49-G140 VanDerWaalsContact CA-O 3.32Å; Q49-G140 WeakPolarHBondContact CA-O 3.47Å; Q49-G140 VanDerWaalsContact CB-O 3.3Å; Q49-G140 WeakPolarHBondContact CB-O 3.26Å; K50-G140 PolarHBondContact N-O 3.4Å
141G91.9Very high91.8Very high16 Ų1648.4 Ų48.417%0.16525%0.247CC..SBendtrans-71.8172.1-172.600000114.9K50 H139K50-G141 WeakPolarHBondContact CD-O 3.4Å; K50-G141 WeakPolarHBondContact CG-O 3.27Å; H139-G141 PolarHBondContact ND1-O 2.93Å
142R94.1Very high91.8Very high56 Ų5646 Ų4621%0.21124%0.235CC..  trans-69.3162.4171-66.1-175.7-67.6164.81.8111.3N37 K50 F144 E155N37-R142 VanDerWaalsContact O-CD 3.24Å; N37-R142 WeakPolarHBondContact O-CD 3.43Å; N37-R142 WeakPolarHBondContact O-CG 3.47Å; N37-R142 WeakPolarHBondContact OD1-CA 3.25Å; K50-R142 HydrophobicContact CB-CG 3.94Å; R142-F144 HydrophobicContact CB-CE2 3.77Å; R142-F144 HydrophobicContact CB-CZ 3.88Å; R142-E155 IonicContact CZ-OE1 2.65Å; R142-E155 PolarHBondContact N-OE2 2.99Å; R142-E155 IonicContact NE-OE1 3.77Å; R142-E155 PolarHBondContact NE-OE1 3.47Å; R142-E155 IonicContact NE-OE2 2.72Å; R142-E155 IonicContact NH2-OE1 3.12Å; R142-E155 PolarHBondContact NH2-OE1 3.16Å; R142-E155 PolarHBondContact O-N 3.22Å
143I94.2Very high91.8Very high3 Ų344 Ų442%0.01522%0.222CC..EExtended strand (participates in β ladder)trans-115.3140.2174.6-59.7-174.3000109.4L31 N37 L124 A127 V136 H139 F152 L153L31-I143 HydrophobicContact CD2-CB 4.19Å; L31-I143 HydrophobicContact CD2-CG2 3.85Å; L31-I143 VanDerWaalsContact CD2-O 3.3Å; L31-I143 WeakPolarHBondContact CD2-O 3.46Å; L31-I143 WeakPolarHBondContact CG-O 3.43Å; N37-I143 PolarHBondContact ND2-O 2.62Å; N37-I143 PolarHBondContact OD1-N 3.35Å; L124-I143 HydrophobicContact CD2-CB 3.98Å; L124-I143 HydrophobicContact CD2-CD1 4.05Å; L124-I143 HydrophobicContact CD2-CG1 4.44Å; L124-I143 HydrophobicContact CD2-CG2 4.24Å; A127-I143 HydrophobicContact CB-CD1 3.86Å; A127-I143 HydrophobicContact CB-CG2 4.35Å; V136-I143 HydrophobicContact CB-CD1 4.44Å; V136-I143 HydrophobicContact CG2-CD1 3.52Å; H139-I143 VanDerWaalsContact CE1-CG1 3.42Å; H139-I143 WeakPolarHBondContact CE1-CG1 3.48Å; I143-F152 HydrophobicContact CG2-CB 4.01Å; I143-F152 HydrophobicContact CG2-CD1 3.71Å; I143-F152 HydrophobicContact CG2-CG 4.26Å; I143-L153 CarbonylContact C-O 3.55Å; I143-L153 WeakPolarHBondContact CA-O 3.38Å
144F93.3Very high91.8Very high23 Ų2336.9 Ų36.910%0.10119%0.189CC..EExtended strand (participates in β ladder)trans-124.4161.9178.6-59.4-85.5000109.9A32 R142 F152 L153 E155 Q158A32-F144 HydrophobicContact CB-CD1 4.2Å; A32-F144 HydrophobicContact CB-CE1 4.03Å; R142-F144 HydrophobicContact CB-CE2 3.77Å; R142-F144 HydrophobicContact CB-CZ 3.88Å; F144-F152 CarbonylContact O-C 3.57Å; F144-F152 VanDerWaalsContact O-CA 3.3Å; F144-F152 WeakPolarHBondContact O-CA 3.42Å; F144-L153 PolarHBondContact N-O 3.31Å; F144-L153 PolarHBondContact O-N 2.86Å; F144-E155 HydrophobicContact CE2-CB 3.88Å; F144-E155 HydrophobicContact CE2-CG 3.97Å; F144-Q158 HydrophobicContact CB-CB 4.43Å; F144-Q158 HydrophobicContact CD2-CB 4.2Å; F144-Q158 HydrophobicContact CD2-CG 4.33Å
145A92.1Very high91.8Very high42 Ų4236 Ų3635%0.34719%0.187SC..EExtended strand (participates in β ladder)trans-111.2132.5169.500000108S147 N151A145-S147 PolarHBondContact O-N 3.44Å; A145-N151 WeakPolarHBondContact CA-O 3.43Å
146C91.7Very high91.8Very high0 Ų037.8 Ų37.80%019%0.194CC..  trans-62134.1175.9-176.40000110.7F148 C149 H150 N151 L153C146-F148 PolarHBondContact O-N 3.48Å; C146-F148 PolarHBondContact SG-N 2.95Å; C146-C149 WeakPolarHBondContact CB-SG 3.5Å; C146-C149 VanDerWaalsContact SG-SG 3.63Å; C146-H150 WeakPolarHBondContact O-CA 3.49Å; C146-H150 PolarHBondContact O-N 3.22Å; C146-H150 PolarHBondContact O-ND1 3.24Å; C146-H150 VanDerWaalsContact O-ND1 3.07Å; C146-N151 PolarHBondContact N-O 3.32Å; C146-L153 HydrophobicContact CB-CD1 3.8Å
147S88.8Confident91.9Very high82 Ų8239.1 Ų39.157%0.57320%0.201SC*.THydrogen-bonded Turntrans-64.7-21.5177.6-57.40000113.4A145A145-S147 PolarHBondContact O-N 3.44Å
148F89.8Confident92Very high50 Ų5033.3 Ų33.322%0.21918%0.18CC..THydrogen-bonded Turntrans-99.1-48.7-175.3-54.8-58.1000113C146 C165 Q166 L187 H218C146-F148 PolarHBondContact O-N 3.48Å; C146-F148 PolarHBondContact SG-N 2.95Å; F148-C165 HydrophobicContact CD2-CB 4.13Å; F148-Q166 HydrophobicContact CD1-CG 3.97Å; F148-Q166 HydrophobicContact CD2-CG 3.88Å; F148-Q166 HydrophobicContact CE1-CG 4.05Å; F148-Q166 HydrophobicContact CE2-CG 3.92Å; F148-Q166 HydrophobicContact CG-CG 3.92Å; F148-Q166 HydrophobicContact CZ-CG 4.04Å; F148-L187 HydrophobicContact CB-CD1 3.75Å; F148-L187 HydrophobicContact CG-CD1 4.41Å; F148-H218 PolarHBondContact O-NE2 2.9Å
149C90.1Very high92Very high0 Ų036.4 Ų36.40%019%0.19CC..THydrogen-bonded Turntrans-103.6-10.6-176.172.50000114.3C146 N151 H161 L187 R188C146-C149 WeakPolarHBondContact CB-SG 3.5Å; C146-C149 VanDerWaalsContact SG-SG 3.63Å; C149-N151 PolarHBondContact O-N 2.91Å; C149-N151 VanDerWaalsContact O-N 3.08Å; C149-H161 PolarHBondContact SG-NE2 3.31Å; C149-L187 WeakPolarHBondContact CB-O 3.03Å; C149-R188 HydrophobicContact CB-CB 4.2Å; C149-R188 VanDerWaalsContact O-CD 3.27Å; C149-R188 WeakPolarHBondContact O-CD 3.43Å; C149-R188 VanDerWaalsContact O-CG 3.31Å; C149-R188 WeakPolarHBondContact O-CG 3.14Å
150H89.9Confident92.1Very high87 Ų8743.2 Ų43.240%0.40322%0.222SC..  trans54.518.5-175.1-60.2-33.8000115.7C146 H218C146-H150 WeakPolarHBondContact O-CA 3.49Å; C146-H150 PolarHBondContact O-N 3.22Å; C146-H150 PolarHBondContact O-ND1 3.24Å; C146-H150 VanDerWaalsContact O-ND1 3.07Å; H150-H218 AromaticContact CD2-CE1 3.15Å; H150-H218 PolarHBondContact CD2-CE1 2.89Å; H150-H218 AromaticContact CD2-ND1 3.62Å; H150-H218 AromaticContact CG-CE1 3.93Å; H150-H218 AromaticContact NE2-CE1 3.66Å
151N92Very high92.3Very high21 Ų2143.4 Ų43.411%0.11222%0.221CC..  trans-78.9155.6169-64.8-32.6000110.2I130 A145 C146 C149 R188I130-N151 HydrophobicContact CB-CB 4.27Å; I130-N151 HydrophobicContact CD1-CB 4.15Å; I130-N151 WeakPolarHBondContact CD1-ND2 3.43Å; I130-N151 HydrophobicContact CG2-CB 4.1Å; A145-N151 WeakPolarHBondContact CA-O 3.43Å; C146-N151 PolarHBondContact N-O 3.32Å; C149-N151 PolarHBondContact O-N 2.91Å; C149-N151 VanDerWaalsContact O-N 3.08Å; N151-R188 PolarHBondContact OD1-NE 3.2Å
152F93.9Very high92.2Very high52 Ų5245.7 Ų45.723%0.22823%0.228CC..EExtended strand (participates in β ladder)trans-78.4143.5179.4-66.6-74.6000111L31 D126 A127 E128 C129 I130 I143 F144L31-F152 HydrophobicContact CD2-CD1 3.89Å; L31-F152 HydrophobicContact CD2-CE1 3.79Å; D126-F152 WeakPolarHBondContact O-CD2 3.34Å; D126-F152 VanDerWaalsContact O-CE2 3.29Å; D126-F152 WeakPolarHBondContact O-CE2 3.41Å; A127-F152 HydrophobicContact CB-CD1 4.08Å; A127-F152 HydrophobicContact CB-CD2 4.19Å; A127-F152 HydrophobicContact CB-CE1 4.17Å; A127-F152 HydrophobicContact CB-CE2 4.28Å; A127-F152 HydrophobicContact CB-CG 4.07Å; A127-F152 HydrophobicContact CB-CZ 4.27Å; E128-F152 WeakPolarHBondContact O-CB 3.43Å; C129-F152 WeakPolarHBondContact CA-O 3.35Å; I130-F152 PolarHBondContact N-O 3.22Å; I143-F152 HydrophobicContact CG2-CB 4.01Å; I143-F152 HydrophobicContact CG2-CD1 3.71Å; I143-F152 HydrophobicContact CG2-CG 4.26Å; F144-F152 CarbonylContact O-C 3.57Å; F144-F152 VanDerWaalsContact O-CA 3.3Å; F144-F152 WeakPolarHBondContact O-CA 3.42Å
153L94.4Very high92Very high1 Ų147.2 Ų47.21%0.00525%0.253CS..EExtended strand (participates in β ladder)trans-135.5137.6-179.1-63.5166.5000108.5I130 E131 I143 F144 C146 Q158 H161I130-L153 HydrophobicContact CG2-CD2 3.72Å; E131-L153 HydrophobicContact CG-CD2 4.1Å; I143-L153 CarbonylContact C-O 3.55Å; I143-L153 WeakPolarHBondContact CA-O 3.38Å; F144-L153 PolarHBondContact N-O 3.31Å; F144-L153 PolarHBondContact O-N 2.86Å; C146-L153 HydrophobicContact CB-CD1 3.8Å; L153-Q158 HydrophobicContact CB-CB 4.17Å; L153-H161 HydrophobicContact CD1-CB 3.82Å; L153-H161 HydrophobicContact CD2-CB 3.6Å; L153-H161 VanDerWaalsContact CD2-CG 3.48Å; L153-H161 HydrophobicContact CG-CB 4.36Å
154C94Very high91.7Very high1 Ų150.1 Ų50.11%0.00727%0.273CS..EExtended strand (participates in β ladder)trans-73.7164.2169.281.40000110.3C129 D156 D157 Q158C129-C154 HydrophobicContact CB-CB 4.29Å; C129-C154 PolarHBondContact SG-N 3.01Å; C154-D156 PolarHBondContact O-N 3.04Å; C154-D157 PolarHBondContact O-N 3.23Å; C154-D157 VanDerWaalsContact SG-CG 3.52Å; C154-D157 PolarHBondContact SG-N 3.42Å; C154-D157 PolarHBondContact SG-OD2 3.04Å; C154-Q158 WeakPolarHBondContact O-CB 3.3Å; C154-Q158 PolarHBondContact O-N 2.7Å
155E91.7Very high91.5Very high53 Ų5349.1 Ų49.125%0.24827%0.269CS..THydrogen-bonded Turntrans-58.3-27.7179.6-172.1157-148.500113.6R142 F144R142-E155 IonicContact CZ-OE1 2.65Å; R142-E155 PolarHBondContact N-OE2 2.99Å; R142-E155 IonicContact NE-OE1 3.77Å; R142-E155 PolarHBondContact NE-OE1 3.47Å; R142-E155 IonicContact NE-OE2 2.72Å; R142-E155 IonicContact NH2-OE1 3.12Å; R142-E155 PolarHBondContact NH2-OE1 3.16Å; R142-E155 PolarHBondContact O-N 3.22Å; F144-E155 HydrophobicContact CE2-CB 3.88Å; F144-E155 HydrophobicContact CE2-CG 3.97Å
156D91.7Very high91.3Very high76 Ų7650.7 Ų50.741%0.40627%0.269SS..THydrogen-bonded Turntrans-75.6-45.4178.4-55.2-31.1000110.9R134 C154R134-D156 IonicContact NH2-OD2 3.36Å; C154-D156 PolarHBondContact O-N 3.04Å
157D94.2Very high90.9Very high30 Ų3054.8 Ų54.816%0.1629%0.294CS..THydrogen-bonded Turntrans-87-11.7-172.9-56.5-33.7000113.8C129 E131 C132 C154 F159 E160 H161C129-D157 PolarHBondContact SG-OD2 2.77Å; E131-D157 HydrophobicContact CB-CB 3.96Å; E131-D157 HydrophobicContact CG-CB 4.12Å; C132-D157 WeakPolarHBondContact CB-OD2 3.46Å; C132-D157 PolarHBondContact SG-OD2 3.35Å; C154-D157 PolarHBondContact O-N 3.23Å; C154-D157 VanDerWaalsContact SG-CG 3.52Å; C154-D157 PolarHBondContact SG-N 3.42Å; C154-D157 PolarHBondContact SG-OD2 3.04Å; D157-F159 VanDerWaalsContact C-N 3.27Å; D157-F159 PolarHBondContact O-N 3.29Å; D157-E160 PolarHBondContact O-N 2.97Å; D157-H161 WeakPolarHBondContact O-CB 3.5Å; D157-H161 PolarHBondContact O-N 3.43Å
158Q92.8Very high90.4Very high17 Ų1751.8 Ų51.88%0.07927%0.271CS..Hα-helixtrans-59.5-36.1-169.170.5173.1-25.800113.7F144 L153 C154 Q162F144-Q158 HydrophobicContact CB-CB 4.43Å; F144-Q158 HydrophobicContact CD2-CB 4.2Å; F144-Q158 HydrophobicContact CD2-CG 4.33Å; L153-Q158 HydrophobicContact CB-CB 4.17Å; C154-Q158 WeakPolarHBondContact O-CB 3.3Å; C154-Q158 PolarHBondContact O-N 2.7Å; Q158-Q162 VanDerWaalsContact O-CB 3.26Å; Q158-Q162 WeakPolarHBondContact O-CB 3.23Å; Q158-Q162 WeakPolarHBondContact O-CG 3.46Å; Q158-Q162 PolarHBondContact O-N 3.35Å
159F92.6Very high89.3Confident144 Ų14457.3 Ų57.363%0.63230%0.298SS*.Hα-helixtrans-80.4-44.4-173-67.7-66.1000111.1D157 Q162 A163D157-F159 VanDerWaalsContact C-N 3.27Å; D157-F159 PolarHBondContact O-N 3.29Å; F159-Q162 PolarHBondContact O-N 3.3Å; F159-A163 WeakPolarHBondContact O-CB 3.49Å; F159-A163 PolarHBondContact O-N 2.81Å
160E92.6Very high88.2Confident148 Ų14859.1 Ų59.169%0.69231%0.313SS*.Hα-helixtrans-64.5-42.8178.4-62-172.8175.500111.2D157 A163 S164D157-E160 PolarHBondContact O-N 2.97Å; E160-A163 PolarHBondContact O-N 3.3Å; E160-S164 PolarHBondContact O-N 3.12Å; E160-S164 PolarHBondContact O-OG 2.75Å
161H92.7Very high87.1Confident10 Ų1063.4 Ų63.45%0.04633%0.333CS..Hα-helixtrans-64.7-47.3174-174.696.7000111.3E131 C149 L153 D157 A163 S164 C165E131-H161 HydrophobicContact CG-CB 4.23Å; E131-H161 IonicContact OE1-CE1 2.68Å; E131-H161 PolarHBondContact OE1-CE1 3.5Å; E131-H161 IonicContact OE1-CG 2.68Å; E131-H161 IonicContact OE1-ND1 3.84Å; E131-H161 PolarHBondContact OE1-ND1 3.45Å; C149-H161 PolarHBondContact SG-NE2 3.31Å; L153-H161 HydrophobicContact CD1-CB 3.82Å; L153-H161 HydrophobicContact CD2-CB 3.6Å; L153-H161 VanDerWaalsContact CD2-CG 3.48Å; L153-H161 HydrophobicContact CG-CB 4.36Å; D157-H161 WeakPolarHBondContact O-CB 3.5Å; D157-H161 PolarHBondContact O-N 3.43Å; H161-A163 VanDerWaalsContact C-N 3.26Å; H161-A163 PolarHBondContact O-N 3.37Å; H161-S164 PolarHBondContact O-N 2.87Å; H161-S164 VanDerWaalsContact O-N 3.16Å; H161-S164 PolarHBondContact O-OG 2.73Å; H161-C165 PolarHBondContact NE2-SG 3.3Å; H161-C165 VanDerWaalsContact NE2-SG 3.37Å; H161-C165 WeakPolarHBondContact O-CA 3.5Å; H161-C165 WeakPolarHBondContact O-CB 3.38Å; H161-C165 PolarHBondContact O-N 3.17Å
162Q90.8Very high86.3Confident63 Ų6366.4 Ų66.429%0.29435%0.352SS..Hα-helixtrans-62.4-33.7-179.4-79.3-176.63800113Q158 F159 S164Q158-Q162 VanDerWaalsContact O-CB 3.26Å; Q158-Q162 WeakPolarHBondContact O-CB 3.23Å; Q158-Q162 WeakPolarHBondContact O-CG 3.46Å; Q158-Q162 PolarHBondContact O-N 3.35Å; F159-Q162 PolarHBondContact O-N 3.3Å; Q162-S164 VanDerWaalsContact C-N 3.33Å
163A88.5Confident85.9Confident89 Ų8966.2 Ų66.274%0.73635%0.351SS*.Hα-helixtrans-66.8-33.2176.800000112.9F159 E160 H161F159-A163 WeakPolarHBondContact O-CB 3.49Å; F159-A163 PolarHBondContact O-N 2.81Å; E160-A163 PolarHBondContact O-N 3.3Å; H161-A163 VanDerWaalsContact C-N 3.26Å; H161-A163 PolarHBondContact O-N 3.37Å
164S87.7Confident85.7Confident64 Ų6471.1 Ų71.145%0.44837%0.372SS..Hα-helixtrans-106-12.8-175.360.10000114.2E160 H161 Q162 Q166 V167E160-S164 PolarHBondContact O-N 3.12Å; E160-S164 PolarHBondContact O-OG 2.75Å; H161-S164 PolarHBondContact O-N 2.87Å; H161-S164 VanDerWaalsContact O-N 3.16Å; H161-S164 PolarHBondContact O-OG 2.73Å; Q162-S164 VanDerWaalsContact C-N 3.33Å; S164-Q166 VanDerWaalsContact C-N 3.27Å; S164-Q166 PolarHBondContact O-N 3.47Å; S164-Q166 VanDerWaalsContact O-N 3.15Å; S164-V167 WeakPolarHBondContact O-CB 3.38Å; S164-V167 PolarHBondContact O-N 3.01Å
165C89.7Confident85.5Confident1 Ų171 Ų711%0.00737%0.372CS..THydrogen-bonded Turntrans-65.3-24.2-170.2-177.40000114.2F148 H161 V167 K190F148-C165 HydrophobicContact CD2-CB 4.13Å; H161-C165 PolarHBondContact NE2-SG 3.3Å; H161-C165 VanDerWaalsContact NE2-SG 3.37Å; H161-C165 WeakPolarHBondContact O-CA 3.5Å; H161-C165 WeakPolarHBondContact O-CB 3.38Å; H161-C165 PolarHBondContact O-N 3.17Å; C165-V167 PolarHBondContact O-N 3.06Å; C165-K190 VanDerWaalsContact C-NZ 3.3Å; C165-K190 PolarHBondContact O-NZ 3.04Å
166Q87.2Confident85.3Confident75 Ų7572 Ų7235%0.3538%0.381SS..THydrogen-bonded Turntrans-75-16175.9-65.6-176.9-0.200113F148 S164F148-Q166 HydrophobicContact CD1-CG 3.97Å; F148-Q166 HydrophobicContact CD2-CG 3.88Å; F148-Q166 HydrophobicContact CE1-CG 4.05Å; F148-Q166 HydrophobicContact CE2-CG 3.92Å; F148-Q166 HydrophobicContact CG-CG 3.92Å; F148-Q166 HydrophobicContact CZ-CG 4.04Å; S164-Q166 VanDerWaalsContact C-N 3.27Å; S164-Q166 PolarHBondContact O-N 3.47Å; S164-Q166 VanDerWaalsContact O-N 3.15Å
167V83.2Confident85.2Confident86 Ų8671.5 Ų71.552%0.52138%0.384SS..  trans-79.1132-180-172.90000109.8S164 C165 K190S164-V167 WeakPolarHBondContact O-CB 3.38Å; S164-V167 PolarHBondContact O-N 3.01Å; C165-V167 PolarHBondContact O-N 3.06Å; V167-K190 PolarHBondContact O-NZ 3.29Å
168L79.6Confident85Confident19 Ų1972.2 Ų72.210%0.09939%0.391CS..  trans-92.8129.9171.6-66.2168.3000109A170 F173 S185 L187 K190 T223 L226L168-A170 VanDerWaalsContact C-N 3.31Å; L168-F173 HydrophobicContact CB-CE1 4.42Å; L168-F173 HydrophobicContact CD1-CD1 4.47Å; L168-F173 HydrophobicContact CD1-CE1 4.38Å; L168-S185 VanDerWaalsContact CD1-OG 3.28Å; L168-S185 WeakPolarHBondContact CD1-OG 3.32Å; L168-L187 HydrophobicContact CD2-CD2 4.22Å; L168-K190 HydrophobicContact CD2-CD 4.49Å; L168-T223 HydrophobicContact CD1-CG2 4.36Å; L168-L226 HydrophobicContact CD1-CD1 3.8Å; L168-L226 HydrophobicContact CG-CD1 4.28Å
169E66.1Low84.9Confident166 Ų16677.1 Ų77.178%0.77642%0.417SS*.SBendtrans-75.4-22.3179.9-64.1176.4175.900112.7E171E169-E171 PolarHBondContact O-N 3.42Å; E169-E171 VanDerWaalsContact O-N 3.1Å
170A67.6Low84.7Confident38 Ų3878.3 Ų78.331%0.31442%0.418SS..  trans-78.696.8-177.200000111.6L168 T172 F173L168-A170 VanDerWaalsContact C-N 3.31Å; A170-T172 PolarHBondContact O-N 2.92Å; A170-F173 PolarHBondContact O-N 3.13Å
171E67.2Low84.6Confident178 Ų17877.8 Ų77.883%0.83242%0.419SS*.THydrogen-bonded Turntrans-55.2-26.3176.3-64-178.2169.600113.8E169 F173E169-E171 PolarHBondContact O-N 3.42Å; E169-E171 VanDerWaalsContact O-N 3.1Å; E171-F173 VanDerWaalsContact O-CD2 3.27Å; E171-F173 WeakPolarHBondContact O-CD2 3.36Å; E171-F173 WeakPolarHBondContact O-CE2 3.38Å
172T74.6Confident84.4Confident83 Ų8377.8 Ų77.851%0.50942%0.421SS..THydrogen-bonded Turntrans-80.7-17.1-173.365.50000113.6A170 K174A170-T172 PolarHBondContact O-N 2.92Å; T172-K174 WeakPolarHBondContact O-CG 3.46Å; T172-K174 PolarHBondContact O-N 3.22Å
173F84.6Confident84.3Confident48 Ų4880.2 Ų80.221%0.21143%0.433CS..  trans46.626.2-174.7-54-67.8000114.3L168 A170 E171 G182 T223 M228L168-F173 HydrophobicContact CB-CE1 4.42Å; L168-F173 HydrophobicContact CD1-CD1 4.47Å; L168-F173 HydrophobicContact CD1-CE1 4.38Å; A170-F173 PolarHBondContact O-N 3.13Å; E171-F173 VanDerWaalsContact O-CD2 3.27Å; E171-F173 WeakPolarHBondContact O-CD2 3.36Å; E171-F173 WeakPolarHBondContact O-CE2 3.38Å; F173-G182 PolarHBondContact O-N 3.34Å; F173-T223 HydrophobicContact CD1-CG2 4.13Å; F173-M228 HydrophobicContact CD1-CE 4.23Å; F173-M228 HydrophobicContact CD1-SD 3.86Å; F173-M228 HydrophobicContact CD2-CE 4.19Å; F173-M228 HydrophobicContact CE1-CE 3.8Å; F173-M228 HydrophobicContact CE1-SD 3.16Å; F173-M228 WeakPolarHBondContact CE1-SD 3.47Å; F173-M228 HydrophobicContact CE2-CE 3.73Å; F173-M228 HydrophobicContact CE2-SD 4.18Å; F173-M228 HydrophobicContact CG-CE 4.42Å; F173-M228 HydrophobicContact CZ-CE 3.52Å; F173-M228 HydrophobicContact CZ-SD 3.35Å; F173-M228 WeakPolarHBondContact CZ-SD 3.45Å
174K89.9Confident84.4Confident104 Ų10476.6 Ų76.645%0.45240%0.401SS..BIsolated β-bridgetrans-83.5141.2-178.3-74.5172.7-171.41740109.8T172 V176 N179 R180T172-K174 WeakPolarHBondContact O-CG 3.46Å; T172-K174 PolarHBondContact O-N 3.22Å; K174-V176 PolarHBondContact O-N 2.97Å; K174-N179 WeakPolarHBondContact CG-O 3.2Å; K174-R180 CarbonylContact C-O 3.53Å; K174-R180 WeakPolarHBondContact CA-O 3.42Å
175C90.2Very high84.5Confident0 Ų073.5 Ų73.50%038%0.379CS..BIsolated β-bridgetrans-58.7121.3169.9175.70000109.4S177 C178 N179 R180 C192 C194 H197C175-S177 PolarHBondContact O-N 2.74Å; C175-S177 PolarHBondContact SG-N 2.91Å; C175-C178 PolarHBondContact O-N 3.43Å; C175-N179 WeakPolarHBondContact O-CA 3.37Å; C175-N179 PolarHBondContact O-N 3.26Å; C175-R180 VanDerWaalsContact CB-O 3.29Å; C175-R180 WeakPolarHBondContact CB-O 3.38Å; C175-R180 PolarHBondContact N-O 2.89Å; C175-C192 VanDerWaalsContact CA-O 3.31Å; C175-C192 WeakPolarHBondContact CA-O 3.43Å; C175-C194 HydrophobicContact CB-CB 4.12Å; C175-C194 PolarHBondContact SG-N 3.41Å; C175-H197 PolarHBondContact SG-ND1 3.37Å; C175-H197 VanDerWaalsContact SG-ND1 3.4Å
176V89.1Confident84.5Confident72 Ų7273.5 Ų73.544%0.43638%0.379SS..THydrogen-bonded Turntrans-58.2-25.9-179.3176.70000112.9K174 A191 C192 F193K174-V176 PolarHBondContact O-N 2.97Å; V176-A191 HydrophobicContact CG2-CB 3.88Å; V176-C192 PolarHBondContact N-O 3.13Å; V176-F193 HydrophobicContact CB-CE1 4.11Å
177S88.6Confident84.7Confident67 Ų6770 Ų7047%0.46936%0.363SS..THydrogen-bonded Turntrans-89.2-30-175.6-530000114.6C175 H197C175-S177 PolarHBondContact O-N 2.74Å; C175-S177 PolarHBondContact SG-N 2.91Å; S177-H197 VanDerWaalsContact CB-CD2 3.44Å; S177-H197 WeakPolarHBondContact CB-CD2 3.43Å; S177-H197 VanDerWaalsContact CB-CG 3.45Å
178C90.6Very high85Confident45 Ų4571.3 Ų71.330%0.30436%0.358SS..THydrogen-bonded Turntrans-138.66.6-175.365.60000115.6C175 R180 C194 H197C175-C178 PolarHBondContact O-N 3.43Å; C178-R180 PolarHBondContact O-N 3.3Å; C178-C194 VanDerWaalsContact SG-SG 3.69Å; C178-H197 WeakPolarHBondContact CB-CE1 3.48Å; C178-H197 PolarHBondContact SG-CE1 2.82Å; C178-H197 PolarHBondContact SG-ND1 3.16Å; C178-H197 VanDerWaalsContact SG-ND1 3.41Å
179N89.1Confident85.5Confident119 Ų11972.5 Ų72.564%0.63637%0.368SS*.SBendtrans57.78.3179-67.8-35.2000116.3K174 C175K174-N179 WeakPolarHBondContact CG-O 3.2Å; C175-N179 WeakPolarHBondContact O-CA 3.37Å; C175-N179 PolarHBondContact O-N 3.26Å
180R89.6Confident86.6Confident170 Ų17067.2 Ų67.264%0.64234%0.342SS*.SBendtrans-75.1167.8166.5-63.6-177.1-179.9167.4-0.9110.4K174 C175 C178 G182K174-R180 CarbonylContact C-O 3.53Å; K174-R180 WeakPolarHBondContact CA-O 3.42Å; C175-R180 VanDerWaalsContact CB-O 3.29Å; C175-R180 WeakPolarHBondContact CB-O 3.38Å; C175-R180 PolarHBondContact N-O 2.89Å; C178-R180 PolarHBondContact O-N 3.3Å; R180-G182 PolarHBondContact O-N 3.09Å
181L89.2Confident87.6Confident136 Ų13665.8 Ų65.871%0.71233%0.331SS*.BIsolated β-bridgetrans-58.1131.8175.4-70.6169.7000111.7
182G88.7Confident88.7Confident10 Ų1057.4 Ų57.410%0.10329%0.292CS..PPolyproline II helixtrans-86.4128.717600000111.2F173 R180 F193F173-G182 PolarHBondContact O-N 3.34Å; R180-G182 PolarHBondContact O-N 3.09Å; G182-F193 CarbonylContact C-O 3.49Å; G182-F193 VanDerWaalsContact CA-O 3.28Å; G182-F193 WeakPolarHBondContact CA-O 3.31Å
183Q89.1Confident89.5Confident114 Ų11453.5 Ų53.553%0.53327%0.268SS..SBendtrans-93.7-29176.6-63.5-173.39.300111.3F193 D195 T223Q183-F193 PolarHBondContact N-O 2.97Å; Q183-D195 VanDerWaalsContact OE1-CG 3.3Å; Q183-D195 PolarHBondContact OE1-OD1 3Å; Q183-T223 WeakPolarHBondContact O-CB 3.37Å; Q183-T223 PolarHBondContact O-N 3.13Å; Q183-T223 PolarHBondContact O-OG1 3.4Å
184H90.1Very high89.8Confident13 Ų1351.8 Ų51.86%0.0626%0.261CS..EExtended strand (participates in β ladder)trans-113.7135.9-178.9-72.1-71.3000111C192 F193 D195 V198 Q221H184-C192 CarbonylContact O-C 3.55Å; H184-C192 WeakPolarHBondContact O-CA 3.29Å; H184-F193 PolarHBondContact N-O 3.44Å; H184-F193 PolarHBondContact O-N 3.24Å; H184-D195 IonicContact CD2-OD1 3.75Å; H184-D195 PolarHBondContact CD2-OD1 3.32Å; H184-D195 VanDerWaalsContact CD2-OD1 3.22Å; H184-D195 IonicContact NE2-OD1 3.87Å; H184-D195 PolarHBondContact NE2-OD1 3.03Å; H184-V198 HydrophobicContact CB-CG2 3.83Å; H184-Q221 WeakPolarHBondContact CA-O 3.21Å
185S90.3Very high89.7Confident0 Ų048.8 Ų48.80%025%0.251CS..EExtended strand (participates in β ladder)trans-123.7134-177.7-72.90000111.4L168 A191 C192 T220 Q221 T223L168-S185 VanDerWaalsContact CD1-OG 3.28Å; L168-S185 WeakPolarHBondContact CD1-OG 3.32Å; S185-A191 WeakPolarHBondContact CA-O 3.45Å; S185-C192 PolarHBondContact OG-SG 3.17Å; S185-T220 CarbonylContact O-C 3.45Å; S185-T220 WeakPolarHBondContact O-CA 3.29Å; S185-T220 WeakPolarHBondContact O-CB 3.33Å; S185-Q221 PolarHBondContact N-O 2.88Å; S185-Q221 PolarHBondContact O-N 3.29Å; S185-T223 WeakPolarHBondContact OG-CG2 3.29Å; S185-T223 PolarHBondContact OG-OG1 3.35Å
186C90.8Very high89.6Confident0 Ų053.7 Ų53.70%028%0.277CS..EExtended strand (participates in β ladder)trans-100.3112.3175.9-177.70000109.8R188 C189 K190 A191 F193 C213 T220C186-R188 PolarHBondContact O-N 3.32Å; C186-C189 HydrophobicContact CB-CB 4.23Å; C186-C189 PolarHBondContact O-N 3.38Å; C186-C189 PolarHBondContact SG-N 3.2Å; C186-K190 VanDerWaalsContact O-CA 3.31Å; C186-K190 WeakPolarHBondContact O-CA 3.26Å; C186-K190 PolarHBondContact O-N 2.9Å; C186-A191 PolarHBondContact N-O 3.46Å; C186-A191 PolarHBondContact O-N 3.24Å; C186-F193 HydrophobicContact CB-CE2 4.36Å; C186-C213 HydrophobicContact CB-CB 3.88Å; C186-C213 VanDerWaalsContact SG-CB 3.57Å; C186-T220 HydrophobicContact CB-CG2 4.22Å
187L89.9Confident89.5Confident3 Ų352.7 Ų52.72%0.01627%0.267CS..THydrogen-bonded Turntrans-69.1-18.1178.7-62.6-179.9000113.5F148 C149 L168 K190 L226F148-L187 HydrophobicContact CB-CD1 3.75Å; F148-L187 HydrophobicContact CG-CD1 4.41Å; C149-L187 WeakPolarHBondContact CB-O 3.03Å; L168-L187 HydrophobicContact CD2-CD2 4.22Å; L187-K190 WeakPolarHBondContact O-CD 3.33Å; L187-L226 HydrophobicContact CD1-CD2 4.1Å; L187-L226 HydrophobicContact CD2-CD1 4.03Å; L187-L226 HydrophobicContact CD2-CD2 4Å; L187-L226 HydrophobicContact CG-CD2 4.46Å
188R89.9Confident89.4Confident112 Ų11249.8 Ų49.842%0.42325%0.247SC..THydrogen-bonded Turntrans-80.8-37.7174.8-167.7174.7-173.2-178.6-1.1114C149 N151 C186 H218C149-R188 HydrophobicContact CB-CB 4.2Å; C149-R188 VanDerWaalsContact O-CD 3.27Å; C149-R188 WeakPolarHBondContact O-CD 3.43Å; C149-R188 VanDerWaalsContact O-CG 3.31Å; C149-R188 WeakPolarHBondContact O-CG 3.14Å; N151-R188 PolarHBondContact OD1-NE 3.2Å; C186-R188 PolarHBondContact O-N 3.32Å; R188-H218 HydrophobicContact CB-CB 4.1Å
189C89.4Confident89Confident45 Ų4554.7 Ų54.730%0.30426%0.259SS..THydrogen-bonded Turntrans-95.1-5.6176.3-680000113.2C186 A191 C216C186-C189 HydrophobicContact CB-CB 4.23Å; C186-C189 PolarHBondContact O-N 3.38Å; C186-C189 PolarHBondContact SG-N 3.2Å; C189-A191 HydrophobicContact CB-CB 4.04Å; C189-A191 PolarHBondContact O-N 3.07Å; C189-C216 PolarHBondContact SG-SG 3.12Å
190K89.2Confident88.1Confident54 Ų5451.4 Ų51.424%0.23525%0.245CC..THydrogen-bonded Turntrans48.444.2-171.4-60-65.5-166.7154.20112.4C165 V167 L168 C186 L187C165-K190 VanDerWaalsContact C-NZ 3.3Å; C165-K190 PolarHBondContact O-NZ 3.04Å; V167-K190 PolarHBondContact O-NZ 3.29Å; L168-K190 HydrophobicContact CD2-CD 4.49Å; C186-K190 VanDerWaalsContact O-CA 3.31Å; C186-K190 WeakPolarHBondContact O-CA 3.26Å; C186-K190 PolarHBondContact O-N 2.9Å; L187-K190 WeakPolarHBondContact O-CD 3.33Å
191A89.1Confident86.7Confident9 Ų952.2 Ų52.27%0.07425%0.254CS..EExtended strand (participates in β ladder)trans-135.5142.7-170.500000112.5V176 S185 C186 C189 F193V176-A191 HydrophobicContact CG2-CB 3.88Å; S185-A191 WeakPolarHBondContact CA-O 3.45Å; C186-A191 PolarHBondContact N-O 3.46Å; C186-A191 PolarHBondContact O-N 3.24Å; C189-A191 HydrophobicContact CB-CB 4.04Å; C189-A191 PolarHBondContact O-N 3.07Å; A191-F193 HydrophobicContact CB-CE2 4Å; A191-F193 HydrophobicContact CB-CZ 4.11Å
192C90.6Very high85.6Confident2 Ų251.4 Ų51.41%0.01425%0.254CS..EExtended strand (participates in β ladder)trans-99.1152176.7-520000111.8C175 V176 H184 S185C175-C192 VanDerWaalsContact CA-O 3.31Å; C175-C192 WeakPolarHBondContact CA-O 3.43Å; V176-C192 PolarHBondContact N-O 3.13Å; H184-C192 CarbonylContact O-C 3.55Å; H184-C192 WeakPolarHBondContact O-CA 3.29Å; S185-C192 PolarHBondContact OG-SG 3.17Å
193F90.9Very high84.6Confident1 Ų155.4 Ų55.40%0.00427%0.268CS..EExtended strand (participates in β ladder)trans-145.3147.1179.9-59.3-81.7000111V176 G182 Q183 H184 C186 A191 V198 P214 K215V176-F193 HydrophobicContact CB-CE1 4.11Å; G182-F193 CarbonylContact C-O 3.49Å; G182-F193 VanDerWaalsContact CA-O 3.28Å; G182-F193 WeakPolarHBondContact CA-O 3.31Å; Q183-F193 PolarHBondContact N-O 2.97Å; H184-F193 PolarHBondContact N-O 3.44Å; H184-F193 PolarHBondContact O-N 3.24Å; C186-F193 HydrophobicContact CB-CE2 4.36Å; A191-F193 HydrophobicContact CB-CE2 4Å; A191-F193 HydrophobicContact CB-CZ 4.11Å; F193-V198 HydrophobicContact CB-CG2 3.14Å; F193-V198 HydrophobicContact CD2-CG2 4.41Å; F193-V198 HydrophobicContact CG-CG2 4Å; F193-P214 HydrophobicContact CD1-CG 3.66Å; F193-P214 HydrophobicContact CD2-CG 4.26Å; F193-P214 HydrophobicContact CE1-CG 3.58Å; F193-P214 HydrophobicContact CE2-CG 4.18Å; F193-P214 HydrophobicContact CG-CG 4.02Å; F193-P214 HydrophobicContact CZ-CG 3.85Å; F193-K215 HydrophobicContact CZ-CD 4.13Å; F193-K215 HydrophobicContact CZ-CG 4.01Å
194C90.9Very high83.7Confident11 Ų1159.7 Ų59.77%0.07429%0.285CS..  trans-83.6161.6172.470.60000111C175 C178 D196 H197 V198C175-C194 HydrophobicContact CB-CB 4.12Å; C175-C194 PolarHBondContact SG-N 3.41Å; C178-C194 VanDerWaalsContact SG-SG 3.69Å; C194-D196 VanDerWaalsContact C-N 3.25Å; C194-D196 PolarHBondContact O-N 2.94Å; C194-H197 PolarHBondContact O-N 2.99Å; C194-H197 PolarHBondContact SG-ND1 2.82Å; C194-V198 PolarHBondContact O-N 2.87Å; C194-V198 VanDerWaalsContact O-N 3.08Å
195D88.4Confident82.7Confident42 Ų4262.7 Ų62.723%0.22530%0.3CS..Hα-helixtrans-49.3-44.6-179.4-85.925.5000113.8Q183 H184 H197 V198 R199Q183-D195 VanDerWaalsContact OE1-CG 3.3Å; Q183-D195 PolarHBondContact OE1-OD1 3Å; H184-D195 IonicContact CD2-OD1 3.75Å; H184-D195 PolarHBondContact CD2-OD1 3.32Å; H184-D195 VanDerWaalsContact CD2-OD1 3.22Å; H184-D195 IonicContact NE2-OD1 3.87Å; H184-D195 PolarHBondContact NE2-OD1 3.03Å; D195-H197 VanDerWaalsContact C-N 3.32Å; D195-H197 PolarHBondContact O-N 2.95Å; D195-V198 PolarHBondContact O-N 2.79Å; D195-R199 VanDerWaalsContact O-CB 3.29Å; D195-R199 WeakPolarHBondContact O-CB 3.39Å; D195-R199 WeakPolarHBondContact O-CD 3.23Å; D195-R199 WeakPolarHBondContact O-CG 3.47Å; D195-R199 PolarHBondContact O-N 3.17Å; D195-R199 IonicContact OD2-NE 2.65Å; D195-R199 IonicContact OD2-NH2 3.75Å
196D87.4Confident81.7Confident103 Ų10368.5 Ų68.555%0.55133%0.327SS*.Hα-helixtrans-59-44.1178.7-63.1-23.6000111.5C194 S200C194-D196 VanDerWaalsContact C-N 3.25Å; C194-D196 PolarHBondContact O-N 2.94Å; D196-S200 WeakPolarHBondContact O-CB 3.42Å; D196-S200 PolarHBondContact O-N 3.24Å; D196-S200 PolarHBondContact O-OG 3.2Å; D196-S200 VanDerWaalsContact O-OG 3.08Å
197H88.6Confident80.8Confident50 Ų5079 Ų7923%0.23137%0.372CS..Hα-helixtrans-77.3-26.4-176.1-76.4113.4000114.1C175 S177 C178 C194 D195 S200C175-H197 PolarHBondContact SG-ND1 3.37Å; C175-H197 VanDerWaalsContact SG-ND1 3.4Å; S177-H197 VanDerWaalsContact CB-CD2 3.44Å; S177-H197 WeakPolarHBondContact CB-CD2 3.43Å; S177-H197 VanDerWaalsContact CB-CG 3.45Å; C178-H197 WeakPolarHBondContact CB-CE1 3.48Å; C178-H197 PolarHBondContact SG-CE1 2.82Å; C178-H197 PolarHBondContact SG-ND1 3.16Å; C178-H197 VanDerWaalsContact SG-ND1 3.41Å; C194-H197 PolarHBondContact O-N 2.99Å; C194-H197 PolarHBondContact SG-ND1 2.82Å; D195-H197 VanDerWaalsContact C-N 3.32Å; D195-H197 PolarHBondContact O-N 2.95Å; H197-S200 WeakPolarHBondContact CA-OG 3.18Å; H197-S200 PolarHBondContact O-OG 3.22Å
198V86.3Confident79.9Confident7 Ų783 Ų834%0.04242%0.415CS..Hα-helixtrans-82.7-28175.9-174.10000111.5H184 F193 C194 D195 Q205 P211 T220H184-V198 HydrophobicContact CB-CG2 3.83Å; F193-V198 HydrophobicContact CB-CG2 3.14Å; F193-V198 HydrophobicContact CD2-CG2 4.41Å; F193-V198 HydrophobicContact CG-CG2 4Å; C194-V198 PolarHBondContact O-N 2.87Å; C194-V198 VanDerWaalsContact O-N 3.08Å; D195-V198 PolarHBondContact O-N 2.79Å; V198-Q205 PolarHBondContact O-NE2 3.07Å; V198-P211 HydrophobicContact CB-CG 4.37Å; V198-P211 HydrophobicContact CG1-CB 3.55Å; V198-P211 HydrophobicContact CG1-CG 3.4Å; V198-P211 VanDerWaalsContact CG1-CG 3.4Å; V198-T220 HydrophobicContact CG1-CG2 4.45Å
199R81.5Confident79.3Confident147 Ų14784 Ų8456%0.55542%0.422SS*.Hα-helixtrans-82.7-26.5172.6-64.2170.2-170.3-86.52.7112.6D195 K201D195-R199 VanDerWaalsContact O-CB 3.29Å; D195-R199 WeakPolarHBondContact O-CB 3.39Å; D195-R199 WeakPolarHBondContact O-CD 3.23Å; D195-R199 WeakPolarHBondContact O-CG 3.47Å; D195-R199 PolarHBondContact O-N 3.17Å; D195-R199 IonicContact OD2-NE 2.65Å; D195-R199 IonicContact OD2-NH2 3.75Å; R199-K201 PolarHBondContact O-N 3.4Å; R199-K201 VanDerWaalsContact O-N 3.09Å
200S69.9Low78.9Confident51 Ų5184.6 Ų84.636%0.35742%0.42SS..SBendtrans-80.194.3179.172.20000111.8D196 H197D196-S200 WeakPolarHBondContact O-CB 3.42Å; D196-S200 PolarHBondContact O-N 3.24Å; D196-S200 PolarHBondContact O-OG 3.2Å; D196-S200 VanDerWaalsContact O-OG 3.08Å; H197-S200 WeakPolarHBondContact CA-OG 3.18Å; H197-S200 PolarHBondContact O-OG 3.22Å
201K61.2Low78.8Confident187 Ų18782.6 Ų82.681%0.81341%0.413SS*.SBendtrans68.4106143.7-58.8170.5179.7174.50116.4R199R199-K201 PolarHBondContact O-N 3.4Å; R199-K201 VanDerWaalsContact O-N 3.09Å
202V64.9Low78.8Confident118 Ų11883.1 Ų83.172%0.71542%0.415SS*.SBendtrans172.2-35134.4158.60000108.2
203F67.1Low78.7Confident94 Ų9483 Ų8341%0.41242%0.415SS..SBendtrans-109.6143.2-178.3-62.2-77.8000112.1Q205 P212 G217F203-Q205 PolarHBondContact O-N 2.8Å; F203-P212 HydrophobicContact CB-CB 4.01Å; F203-P212 HydrophobicContact CB-CG 3.45Å; F203-P212 VanDerWaalsContact CB-CG 3.45Å; F203-P212 HydrophobicContact CG-CB 4.48Å; F203-P212 HydrophobicContact CG-CG 4.38Å; F203-G217 VanDerWaalsContact CE2-CA 3.44Å
204K70.3Confident78.6Confident204 Ų20484.7 Ų84.789%0.88743%0.426SS*.PPolyproline II helixtrans-76.1116179.9-169178.2-178.1-1750108.8
205Q69.7Low78.4Confident77 Ų7790.3 Ų90.336%0.3645%0.449SS..PPolyproline II helixtrans-73.2126.8173.8-74.5177.2100110.1V198 F203 P211 P212V198-Q205 PolarHBondContact O-NE2 3.07Å; F203-Q205 PolarHBondContact O-N 2.8Å; Q205-P211 HydrophobicContact CG-CB 4.2Å; Q205-P212 HydrophobicContact CG-CG 4.37Å
206E70.5Confident78.4Confident121 Ų12190.3 Ų90.357%0.56545%0.452SS*.PPolyproline II helixtrans-82.2134.1167.7-65-169.4156.200108.7G208 K209E206-G208 PolarHBondContact O-N 3.03Å; E206-K209 HydrophobicContact CB-CD 4.32Å; E206-K209 PolarHBondContact O-N 2.95Å; E206-K209 WeakPolarHBondContact OE2-CD 3.19Å; E206-K209 WeakPolarHBondContact OE2-CE 3.45Å; E206-K209 IonicContact OE2-NZ 3.32Å; E206-K209 PolarHBondContact OE2-NZ 2.72Å
207K70.3Confident78.3Confident220 Ų22086.6 Ų86.696%0.95744%0.438SS*.THydrogen-bonded Turntrans-62.5123.9178.8-70.2-176.1177.8-176.40109.1
208G71.6Confident78.2Confident88 Ų8885.3 Ų85.391%0.90743%0.432SS*.THydrogen-bonded Turntrans96.5-3.9176.500000115.8E206E206-G208 PolarHBondContact O-N 3.03Å
209K76.8Confident78.3Confident132 Ų13289.6 Ų89.657%0.57445%0.451SS*.SBendtrans-103.4156.2171.4-67.8-175.2-179.4167.90111.2E206E206-K209 HydrophobicContact CB-CD 4.32Å; E206-K209 PolarHBondContact O-N 2.95Å; E206-K209 WeakPolarHBondContact OE2-CD 3.19Å; E206-K209 WeakPolarHBondContact OE2-CE 3.45Å; E206-K209 IonicContact OE2-NZ 3.32Å; E206-K209 PolarHBondContact OE2-NZ 2.72Å
210E81.7Confident78.7Confident58 Ų5882.6 Ų82.627%0.27143%0.425SS..PPolyproline II helixtrans-62.6145.4173.6-65.3-168.1120.900109.8E219 T220 Q221 Q222E210-E219 HydrophobicContact CB-CG 4.04Å; E210-T220 WeakPolarHBondContact CB-O 3.42Å; E210-Q221 WeakPolarHBondContact OE2-CA 3.09Å; E210-Q222 PolarHBondContact OE1-N 3.29Å
211P87.2Confident79.6Confident12 Ų1283 Ų838%0.07842%0.421CS..PPolyproline II helixtrans-71.7149.1-171.834.1-40000111V198 Q205 T220V198-P211 HydrophobicContact CB-CG 4.37Å; V198-P211 HydrophobicContact CG1-CB 3.55Å; V198-P211 HydrophobicContact CG1-CG 3.4Å; V198-P211 VanDerWaalsContact CG1-CG 3.4Å; Q205-P211 HydrophobicContact CG-CB 4.2Å; P211-T220 PolarHBondContact O-N 3.28Å; P211-T220 PolarHBondContact O-OG1 2.7Å
212P88.8Confident80.9Confident20 Ų2077.2 Ų77.213%0.1340%0.397CS..BIsolated β-bridgetrans-78.5149.2-175.931.6-35.2000111.7F203 Q205F203-P212 HydrophobicContact CB-CB 4.01Å; F203-P212 HydrophobicContact CB-CG 3.45Å; F203-P212 VanDerWaalsContact CB-CG 3.45Å; F203-P212 HydrophobicContact CG-CB 4.48Å; F203-P212 HydrophobicContact CG-CG 4.38Å; Q205-P212 HydrophobicContact CG-CG 4.37Å
213C88.8Confident81.8Confident0 Ų072 Ų720%037%0.366CS..PPolyproline II helixtrans-59.5129.7177.7175.40000110.6C186 K215 C216 G217 H218 T220C186-C213 HydrophobicContact CB-CB 3.88Å; C186-C213 VanDerWaalsContact SG-CB 3.57Å; C213-K215 PolarHBondContact O-N 3.43Å; C213-K215 PolarHBondContact SG-N 2.96Å; C213-C216 VanDerWaalsContact SG-SG 3.62Å; C213-G217 VanDerWaalsContact O-CA 3.25Å; C213-G217 WeakPolarHBondContact O-CA 3.45Å; C213-G217 PolarHBondContact O-N 2.98Å; C213-H218 VanDerWaalsContact CB-O 3.26Å; C213-H218 WeakPolarHBondContact CB-O 3.46Å; C213-H218 PolarHBondContact N-O 3.25Å; C213-T220 HydrophobicContact CB-CG2 3.81Å
214P88.3Confident82.5Confident36 Ų3674.9 Ų74.923%0.23438%0.378CS..THydrogen-bonded Turntrans-66.6-21.4-179.126.3-34.6000113.2F193F193-P214 HydrophobicContact CD1-CG 3.66Å; F193-P214 HydrophobicContact CD2-CG 4.26Å; F193-P214 HydrophobicContact CE1-CG 3.58Å; F193-P214 HydrophobicContact CE2-CG 4.18Å; F193-P214 HydrophobicContact CG-CG 4.02Å; F193-P214 HydrophobicContact CZ-CG 3.85Å
215K87.5Confident83Confident129 Ų12970 Ų7056%0.56136%0.362SS*.THydrogen-bonded Turntrans-83.8-51.2177.6-72.4-171.5177.8-171.60113.2F193 C213F193-K215 HydrophobicContact CZ-CD 4.13Å; F193-K215 HydrophobicContact CZ-CG 4.01Å; C213-K215 PolarHBondContact O-N 3.43Å; C213-K215 PolarHBondContact SG-N 2.96Å
216C87.3Confident83.3Confident43 Ų4366.8 Ų66.829%0.29135%0.347SS..THydrogen-bonded Turntrans-118.2-7.6-169.3690000114.6C189 C213 H218C189-C216 PolarHBondContact SG-SG 3.12Å; C213-C216 VanDerWaalsContact SG-SG 3.62Å; C216-H218 PolarHBondContact O-N 2.61Å; C216-H218 WeakPolarHBondContact SG-CB 3.42Å
217G85.1Confident82.9Confident25 Ų2565.8 Ų65.826%0.25835%0.353SS..  trans73.71.8-178.200000115.2F203 C213F203-G217 VanDerWaalsContact CE2-CA 3.44Å; C213-G217 VanDerWaalsContact O-CA 3.25Å; C213-G217 WeakPolarHBondContact O-CA 3.45Å; C213-G217 PolarHBondContact O-N 2.98Å
218H87.1Confident82.3Confident22 Ų2259.4 Ų59.410%0.10233%0.328CS..PPolyproline II helixtrans-68.4147.2174.7-172.354.7000111.2F148 H150 R188 C213 C216 T220F148-H218 PolarHBondContact O-NE2 2.9Å; H150-H218 AromaticContact CD2-CE1 3.15Å; H150-H218 PolarHBondContact CD2-CE1 2.89Å; H150-H218 AromaticContact CD2-ND1 3.62Å; H150-H218 AromaticContact CG-CE1 3.93Å; H150-H218 AromaticContact NE2-CE1 3.66Å; R188-H218 HydrophobicContact CB-CB 4.1Å; C213-H218 VanDerWaalsContact CB-O 3.26Å; C213-H218 WeakPolarHBondContact CB-O 3.46Å; C213-H218 PolarHBondContact N-O 3.25Å; C216-H218 PolarHBondContact O-N 2.61Å; C216-H218 WeakPolarHBondContact SG-CB 3.42Å; H218-T220 PolarHBondContact O-N 3.48Å
219E88.6Confident81.3Confident97 Ų9759.7 Ų59.745%0.45332%0.316SS..BIsolated β-bridgetrans-57.7128.2177.2-171.7164.1-152.400110.1E210E210-E219 HydrophobicContact CB-CG 4.04Å
220T89.8Confident80Confident0 Ų059.4 Ų59.40%033%0.325CS..PPolyproline II helixtrans-92.5144.7175.666.70000109.9S185 C186 V198 E210 P211 C213 H218S185-T220 CarbonylContact O-C 3.45Å; S185-T220 WeakPolarHBondContact O-CA 3.29Å; S185-T220 WeakPolarHBondContact O-CB 3.33Å; C186-T220 HydrophobicContact CB-CG2 4.22Å; V198-T220 HydrophobicContact CG1-CG2 4.45Å; E210-T220 WeakPolarHBondContact CB-O 3.42Å; P211-T220 PolarHBondContact O-N 3.28Å; P211-T220 PolarHBondContact O-OG1 2.7Å; C213-T220 HydrophobicContact CB-CG2 3.81Å; H218-T220 PolarHBondContact O-N 3.48Å
221Q89.1Confident78.6Confident60 Ų6066 Ų6628%0.2835%0.348SS..EExtended strand (participates in β ladder)trans-101.4151.8173.6-65.8178.21400110.8H184 S185 E210 T223 L226H184-Q221 WeakPolarHBondContact CA-O 3.21Å; S185-Q221 PolarHBondContact N-O 2.88Å; S185-Q221 PolarHBondContact O-N 3.29Å; E210-Q221 WeakPolarHBondContact OE2-CA 3.09Å; Q221-T223 PolarHBondContact O-N 3.18Å; Q221-L226 HydrophobicContact CB-CD2 4.45Å; Q221-L226 VanDerWaalsContact OE1-CD2 3.24Å
222Q88.4Confident76.9Confident66 Ų6670.6 Ų70.631%0.30838%0.38SS..EExtended strand (participates in β ladder)trans-61.9128.5170.1-83.2172.177.300110.9E210 K224 D225E210-Q222 PolarHBondContact OE1-N 3.29Å; Q222-K224 HydrophobicContact CB-CG 4.2Å; Q222-K224 PolarHBondContact O-N 3.24Å; Q222-D225 HydrophobicContact CB-CB 4.31Å; Q222-D225 VanDerWaalsContact CB-OD2 3.29Å; Q222-D225 WeakPolarHBondContact CB-OD2 3.48Å; Q222-D225 PolarHBondContact O-N 3.19Å
223T84.4Confident75.2Confident9 Ų975.8 Ų75.86%0.05541%0.406CS..THydrogen-bonded Turntrans-64-29.7-173.2-50.10000112.2L168 F173 Q183 S185 Q221 D225 M228L168-T223 HydrophobicContact CD1-CG2 4.36Å; F173-T223 HydrophobicContact CD1-CG2 4.13Å; Q183-T223 WeakPolarHBondContact O-CB 3.37Å; Q183-T223 PolarHBondContact O-N 3.13Å; Q183-T223 PolarHBondContact O-OG1 3.4Å; S185-T223 WeakPolarHBondContact OG-CG2 3.29Å; S185-T223 PolarHBondContact OG-OG1 3.35Å; Q221-T223 PolarHBondContact O-N 3.18Å; T223-D225 VanDerWaalsContact C-N 3.32Å; T223-M228 HydrophobicContact CG2-SD 4.2Å
224K81.7Confident73.1Confident153 Ų15385 Ų8567%0.66545%0.446SS*.THydrogen-bonded Turntrans-71.3-23.217557.3161.8-168.2-167.10114Q222Q222-K224 HydrophobicContact CB-CG 4.2Å; Q222-K224 PolarHBondContact O-N 3.24Å
225D80.1Confident71.3Confident103 Ų10392.3 Ų92.355%0.55148%0.475SS*.THydrogen-bonded Turntrans-89.6-11.2-176-61.2-20.3000111Q222 T223Q222-D225 HydrophobicContact CB-CB 4.31Å; Q222-D225 VanDerWaalsContact CB-OD2 3.29Å; Q222-D225 WeakPolarHBondContact CB-OD2 3.48Å; Q222-D225 PolarHBondContact O-N 3.19Å; T223-D225 VanDerWaalsContact C-N 3.32Å
226L76.9Confident69.2Low9 Ų988.6 Ų88.65%0.04747%0.474CS..SBendtrans-76.7126.6170.3-65.5170.8000108.8L168 L187 Q221 M228L168-L226 HydrophobicContact CD1-CD1 3.8Å; L168-L226 HydrophobicContact CG-CD1 4.28Å; L187-L226 HydrophobicContact CD1-CD2 4.1Å; L187-L226 HydrophobicContact CD2-CD1 4.03Å; L187-L226 HydrophobicContact CD2-CD2 4Å; L187-L226 HydrophobicContact CG-CD2 4.46Å; Q221-L226 HydrophobicContact CB-CD2 4.45Å; Q221-L226 VanDerWaalsContact OE1-CD2 3.24Å; L226-M228 VanDerWaalsContact C-N 3.25Å; L226-M228 HydrophobicContact CB-CG 4.41Å; L226-M228 WeakPolarHBondContact O-CG 3.18Å; L226-M228 PolarHBondContact O-N 3.17Å
227S60.9Low67.6Low100 Ų10098 Ų9870%0.69950%0.503SS*.  trans-63.584.7174.9-64.80000110.4S229S227-S229 VanDerWaalsContact C-N 3.33Å; S227-S229 PolarHBondContact O-N 3.36Å
228M59Low66Low85 Ų85105.9 Ų105.942%0.41953%0.533SS..  trans-80.382.5-179.8-53.9-146-5800109F173 T223 L226 T230F173-M228 HydrophobicContact CD1-CE 4.23Å; F173-M228 HydrophobicContact CD1-SD 3.86Å; F173-M228 HydrophobicContact CD2-CE 4.19Å; F173-M228 HydrophobicContact CE1-CE 3.8Å; F173-M228 HydrophobicContact CE1-SD 3.16Å; F173-M228 WeakPolarHBondContact CE1-SD 3.47Å; F173-M228 HydrophobicContact CE2-CE 3.73Å; F173-M228 HydrophobicContact CE2-SD 4.18Å; F173-M228 HydrophobicContact CG-CE 4.42Å; F173-M228 HydrophobicContact CZ-CE 3.52Å; F173-M228 HydrophobicContact CZ-SD 3.35Å; F173-M228 WeakPolarHBondContact CZ-SD 3.45Å; T223-M228 HydrophobicContact CG2-SD 4.2Å; L226-M228 VanDerWaalsContact C-N 3.25Å; L226-M228 HydrophobicContact CB-CG 4.41Å; L226-M228 WeakPolarHBondContact O-CG 3.18Å; L226-M228 PolarHBondContact O-N 3.17Å; M228-T230 PolarHBondContact O-N 3.48Å
229S49.7Very low63.9Low94 Ų94110.8 Ų110.866%0.65756%0.564SS**  trans-72.397.7168-169.80000108.9S227 R231S227-S229 VanDerWaalsContact C-N 3.33Å; S227-S229 PolarHBondContact O-N 3.36Å; S229-R231 PolarHBondContact O-N 2.91Å; S229-R231 PolarHBondContact OG-O 3.4Å
230T49.8Very low61.9Low126 Ų126109.9 Ų109.977%0.77358%0.581SS**  trans-72.41.2169.552.70000112.6M228M228-T230 PolarHBondContact O-N 3.48Å
231R51.8Low59.3Low197 Ų197115.7 Ų115.774%0.74362%0.622SS**  trans-120.596.1176.5-61.9-175.1-178.4-161.8-0108.5S229 L233S229-R231 PolarHBondContact O-N 2.91Å; S229-R231 PolarHBondContact OG-O 3.4Å; R231-L233 VanDerWaalsContact C-N 3.29Å; R231-L233 PolarHBondContact O-N 3.12Å
232S52.3Low57.1Low109 Ų109121 Ų12176%0.76265%0.646SS**  trans-66.393.3164.359.50000108.1K234S232-K234 PolarHBondContact O-N 3.04Å
233L51.7Low54.9Low129 Ų129126.8 Ų126.868%0.67567%0.674SS**  trans-73.285.5164.7-68.1169.6000106.6R231 F235R231-L233 VanDerWaalsContact C-N 3.29Å; R231-L233 PolarHBondContact O-N 3.12Å; L233-F235 HydrophobicContact CB-CD2 4.05Å; L233-F235 HydrophobicContact CB-CE2 3.7Å; L233-F235 HydrophobicContact CB-CZ 4.26Å; L233-F235 HydrophobicContact CD1-CE2 4.15Å; L233-F235 HydrophobicContact CD1-CZ 4.12Å; L233-F235 WeakPolarHBondContact O-CD2 3.2Å; L233-F235 PolarHBondContact O-N 2.82Å
234K45.6Very low52.6Low193 Ų193130.3 Ų130.384%0.83970%0.703SS**  trans-62.997.6158.7-88.1-178.6175.5171.90105.4S232 G236S232-K234 PolarHBondContact O-N 3.04Å; K234-G236 PolarHBondContact O-N 3.45Å
235F50Low50.6Low189 Ų189130.7 Ų130.783%0.82971%0.713SS**  trans-69.768.1164.4-72.9-84.3000108.2L233L233-F235 HydrophobicContact CB-CD2 4.05Å; L233-F235 HydrophobicContact CB-CE2 3.7Å; L233-F235 HydrophobicContact CB-CZ 4.26Å; L233-F235 HydrophobicContact CD1-CE2 4.15Å; L233-F235 HydrophobicContact CD1-CZ 4.12Å; L233-F235 WeakPolarHBondContact O-CD2 3.2Å; L233-F235 PolarHBondContact O-N 2.82Å
236G42.8Very low48.7Very low52 Ų52129.8 Ų129.854%0.53673%0.728SS.*  trans-73.6130156.500000106.5K234 Q238K234-G236 PolarHBondContact O-N 3.45Å; G236-Q238 PolarHBondContact O-N 2.82Å
237R55.4Low47Very low240 Ų240134.1 Ų134.191%0.90677%0.765SS**  trans-54.999.9157.8-78.6177.2177.7-108.80.9105.7T239R237-T239 PolarHBondContact O-N 3.07Å
238Q50.4Low46.7Very low191 Ų191135.6 Ų135.689%0.89378%0.775SS**  trans-67.788.3166-71.2-177.3-23.500105.4G236 G240G236-Q238 PolarHBondContact O-N 2.82Å; Q238-G240 PolarHBondContact O-N 3.3Å
239T44.1Very low46Very low124 Ų124134.4 Ų134.476%0.76179%0.785SS**  trans-59.5118.8155.547.40000105.4R237 S241R237-T239 PolarHBondContact O-N 3.07Å; T239-S241 PolarHBondContact O-N 3.47Å
240G46.1Very low46Very low78 Ų78138.6 Ų138.680%0.80479%0.788SS**  trans-47.8123.1-176.900000111.1Q238Q238-G240 PolarHBondContact O-N 3.3Å
241S35Very low45.9Very low122 Ų122138.4 Ų138.485%0.85378%0.782SS**  trans-107.2120.2153.2-172.30000105.4T239T239-S241 PolarHBondContact O-N 3.47Å
242E42.2Very low45.9Very low171 Ų171132.2 Ų132.280%0.79977%0.773SS**  trans-63.9160-179.8-60.7163.6179.700110.5
243E43.1Very low45.8Very low189 Ų189134.9 Ų134.988%0.88377%0.768SS**  trans80.885.5168-50.3-164.9163.300117.7
244A36.3Very low45.9Very low82 Ų82137.1 Ų137.168%0.67877%0.767SS**  170.9106.3118.300000110.8
245D40.1Very low46.1Very low162 Ų162135.7 Ų135.787%0.86676%0.761SS**  trans68.787.5132.7-40.8-19.3000119.2
246G39.8Very low45.8Very low84 Ų84133.1 Ų133.187%0.86676%0.756SS**  9783.8126.300000118.4
247A41.2Very low46Very low100 Ų100137.6 Ų137.683%0.82677%0.767SS**  trans-162103.3142.200000110.7G249A247-G249 PolarHBondContact O-N 3.38Å
248S53.9Low45.7Very low130 Ų130131.1 Ų131.191%0.90976%0.758SS**  trans-46.7115.2169.3166.90000112.1
249G43.8Very low45.6Very low61 Ų61127.4 Ų127.463%0.62975%0.748SS**  trans-142.999.6-177.800000112.6A247 D251A247-G249 PolarHBondContact O-N 3.38Å; G249-D251 VanDerWaalsContact C-N 3.31Å; G249-D251 PolarHBondContact O-N 3.38Å
250Y51.1Low45.3Very low182 Ų182127.1 Ų127.171%0.71475%0.752SS**SBendtrans66.6-25.6154.3-150.1-103.2000120.7W254Y250-W254 AromaticContact CE1-NE1 3.91Å
251D48.2Very low44.8Very low122 Ų122132.7 Ų132.765%0.65275%0.754SS**Hα-helixtrans-78.8-27.6-177.5-161.471.7000113.7G249 Y253G249-D251 VanDerWaalsContact C-N 3.31Å; G249-D251 PolarHBondContact O-N 3.38Å; D251-Y253 VanDerWaalsContact C-N 3.27Å; D251-Y253 PolarHBondContact O-N 3.44Å
252A50.3Low44.7Very low67 Ų67131.3 Ų131.355%0.55475%0.75SS**Hα-helixtrans-73.1-15.118000000114.4N256A252-N256 PolarHBondContact O-ND2 3.33Å
253Y50.8Low44.1Very low165 Ų165126.7 Ų126.765%0.64775%0.748SS**Hα-helixtrans-77-39.7178.9179.4-107000111.7D251 N256D251-Y253 VanDerWaalsContact C-N 3.27Å; D251-Y253 PolarHBondContact O-N 3.44Å; Y253-N256 PolarHBondContact O-N 3.14Å
254W54.5Low43.4Very low175 Ų175125.4 Ų125.466%0.66375%0.747SS**Hα-helixtrans-72.9-29.8-178.4-81.785.2000113.3Y250Y250-W254 AromaticContact CE1-NE1 3.91Å
255K48.1Very low43.2Very low164 Ų164125.8 Ų125.871%0.71375%0.75SS**THydrogen-bonded Turntrans-76.2-17178.2-110-179.3-178.9170.60115
256N44.3Very low42.7Very low134 Ų134121.7 Ų121.772%0.71775%0.746SS**THydrogen-bonded Turntrans-91.1-12-179-87.6-60.1000114.2A252 Y253A252-N256 PolarHBondContact O-ND2 3.33Å; Y253-N256 PolarHBondContact O-N 3.14Å
257L47.2Very low42.2Very low147 Ų147123.5 Ų123.577%0.7774%0.736SS**SBendtrans-87.4-16.4179.1-155.571.9000113.1
258S48.7Very low42.1Very low104 Ų104129.4 Ų129.473%0.72774%0.737SS**SBendtrans-94.88.4-175.3-47.60000114.2
259T50.1Low41.1Very low112 Ų112131 Ų13169%0.68773%0.73SS**SBendtrans-148.269.7-175.9-40.40000112.3
260S37.6Very low40.7Very low118 Ų118135 Ų13583%0.82574%0.737SS**  trans164.3134.3154.6-76.60000108.7
261K34.6Very low40Very low196 Ų196133.6 Ų133.685%0.85274%0.737SS**  cis-174.9151-1.7178.7177.3174.4-178.50105.7
262A33.4Very low39.4Very low93 Ų93136.8 Ų136.877%0.76974%0.741SS**  trans-53.9145.9169.900000114.3
263G29.8Very low38.9Very low74 Ų74140.4 Ų140.476%0.76375%0.751SS**  trans106104.913700000119
264D28.8Very low38.5Very low162 Ų162139.6 Ų139.687%0.86675%0.753SS**  99.5124.7124.5-154.649.1000122.5
265A30.6Very low38Very low90 Ų90141.2 Ų141.274%0.74476%0.761SS**  trans57.5128.9148.800000123.8
266G29.3Very low37.6Very low75 Ų75141.1 Ų141.177%0.77376%0.763SS**  trans149.278.9142.500000118.6
267D30.6Very low37.5Very low122 Ų122138.5 Ų138.565%0.65276%0.76SS**  trans40.2112.1130.4-170.745.8000121.5
268R38Very low37.1Very low224 Ų224140.7 Ų140.785%0.84577%0.766SS**  -175.9144120.9-107.3172.2177.469.26.8114.7
269E32.9Very low36.7Very low165 Ų165142.4 Ų142.477%0.77177%0.767SS**  trans-75.4178.9-171.2-65.4171139.700115.8
270D37.1Very low36.4Very low143 Ų143143.6 Ų143.677%0.76577%0.769SS**  trans107.8133.7158.3-51.1-21.8000114.6
271E35.8Very low36.8Very low154 Ų154143.3 Ų143.372%0.7276%0.758SS**  cis-172.6142.3-20.9-112.7-160.4134.300103.2
272Y35.2Very low37.1Very low189 Ų189141.5 Ų141.574%0.74175%0.753SS**  trans15.2131.9157-44.8-77.7000121.3
273D40.1Very low37.6Very low143 Ų143143.7 Ų143.777%0.76575%0.752SS**  -162138.4107.2-100-23.2000113.2
274E41.2Very low38.2Very low147 Ų147147 Ų14769%0.68775%0.752SS**  trans-106.4128.5-166.3162177.3-154.800108.9
275Y45.1Very low38.8Very low209 Ų209145.6 Ų145.682%0.8274%0.744SS**  trans-148.297.6155.8-63.1-68.1000110.5
276E39.8Very low39.1Very low162 Ų162150.1 Ų150.176%0.75775%0.75SS**  trans21143.3131.2-68.6-76.1-179.900121.2
277A41.6Very low39.3Very low80 Ų80150.4 Ų150.466%0.66175%0.753SS**  trans-64.6171.2-174.700000115.1
278E39.8Very low39.4Very low193 Ų193148 Ų14890%0.90276%0.757SS**  -163.2143.5109.5-75.6-126.7174.300111.2
279D40.1Very low39.2Very low140 Ų140147.1 Ų147.175%0.74976%0.76SS**  trans-55.2153.5177.1-78.6-50.4000114.3
280D43.4Very low39.1Very low136 Ų136146 Ų14673%0.72776%0.759SS**  -178.4113.9105.7-123.413.8000109.6
281D46Very low38.9Very low112 Ų112143.8 Ų143.860%0.59975%0.754SS**  55.7142.2121.5-63.7-4.5000120.1
282E39.9Very low39Very low159 Ų159143.6 Ų143.674%0.74376%0.758SS**  cis-172.4179-6.6-111.7178.6172.100103.7
283D43.8Very low39Very low138 Ų138140.7 Ų140.774%0.73876%0.761SS**  trans91.983.9166.2-64.2-24.3000119.1
284D43.6Very low38.9Very low143 Ų143140.7 Ų140.777%0.76576%0.756SS**  57137102.9-91.10.6000119
285D40.8Very low39Very low133 Ų133140.1 Ų140.171%0.71176%0.763SS**  cis-163163.1-2.5-162.1-6.2000106.8
286E37.2Very low38.9Very low186 Ų186134.9 Ų134.987%0.86975%0.753SS**  trans-62.5164.7-169.1-59.8-172.8162.400117.2
287G33.3Very low39.1Very low81 Ų81132.4 Ų132.484%0.83575%0.745SS**  trans171.971.9162.600000113.5
288G32.4Very low39.6Very low71 Ų71134 Ų13473%0.73275%0.746SS**  trans-84-179.4-163.600000119.6
289K34.4Very low39.8Very low206 Ų206132.5 Ų132.590%0.89674%0.737SS**  trans70.1142.5159.1-56.3178.7-179.6173.90114.8
290D31Very low40.4Very low142 Ų142130.2 Ų130.276%0.75973%0.731SS**  cis-165.2162.916.5-156.3-12.6000108.2
291S32.8Very low40.5Very low95 Ų95128.6 Ų128.666%0.66473%0.731SS**  trans65.1129.4147.375.70000121.8
292D38.5Very low40.6Very low150 Ų150128 Ų12880%0.80273%0.727SS**  trans-29.8141.5156.7-59.5-70.2000114.9
293T35Very low41.2Very low129 Ų129128.3 Ų128.379%0.79173%0.734SS**  162.7147.8119.3-46.70000108.8
294E37.9Very low41.6Very low143 Ų143127.9 Ų127.967%0.66873%0.731SS**  trans93.661.2163.1-48-162.1153.800118.4T296E294-T296 PolarHBondContact O-N 3.27Å
295T41.9Very low42.3Very low135 Ų135122.6 Ų122.683%0.82871%0.71SS**THydrogen-bonded Turntrans-78.613.3156.847.10000113.4
296T43.7Very low42.7Very low99 Ų99126.6 Ų126.661%0.60772%0.715SS**THydrogen-bonded Turntrans-85.7-10.9-174.441.80000114.9E294E294-T296 PolarHBondContact O-N 3.27Å
297D44.9Very low43.7Very low110 Ų110121.9 Ų121.959%0.58870%0.699SS**SBendtrans-98.5-3.4-171.1-103.1-41.8000116.7F299 S300D297-F299 VanDerWaalsContact C-N 3.35Å; D297-F299 PolarHBondContact O-N 2.14Å; D297-S300 PolarHBondContact OD1-OG 3.24Å
298V50.8Low44.4Very low114 Ų114123 Ų12369%0.69168%0.68SS**SBendtrans-79.8-18.3-179.3-174.90000112.5
299F44.9Very low45.1Very low161 Ų161123.5 Ų123.571%0.70668%0.677SS**SBendtrans-100.1-10.4-178.2-82.1-83.1000115D297 S301 L302D297-F299 VanDerWaalsContact C-N 3.35Å; D297-F299 PolarHBondContact O-N 2.14Å; F299-S301 PolarHBondContact O-N 3.48Å; F299-L302 HydrophobicContact CD1-CD1 3.82Å; F299-L302 HydrophobicContact CE1-CD1 4.1Å; F299-L302 PolarHBondContact O-N 3.19Å
300S51.7Low45.9Very low91 Ų91116.8 Ų116.864%0.63666%0.656SS**THydrogen-bonded Turntrans-67.6-18-179.1-530000113.7D297D297-S300 PolarHBondContact OD1-OG 3.24Å
301S46Very low46.5Very low102 Ų102112.7 Ų112.771%0.71365%0.646SS**THydrogen-bonded Turntrans-92.1-4.7-177.157.80000114.3F299 N303F299-S301 PolarHBondContact O-N 3.48Å; S301-N303 PolarHBondContact O-N 2.89Å
302L47.3Very low47.2Very low101 Ų101117.9 Ų117.953%0.52965%0.653SS.*  trans-88.792.5174.2-74.7162.8000109.5F299 L304F299-L302 HydrophobicContact CD1-CD1 3.82Å; F299-L302 HydrophobicContact CE1-CD1 4.1Å; F299-L302 PolarHBondContact O-N 3.19Å; L302-L304 HydrophobicContact CB-CD1 4.15Å; L302-L304 PolarHBondContact O-N 3.46Å
303N53.3Low47.5Very low164 Ų164114.5 Ų114.588%0.87765%0.646SS**  trans-71.871.5173.5-155.2-3.1000110.5S301 G305S301-N303 PolarHBondContact O-N 2.89Å; N303-G305 PolarHBondContact O-N 2.89Å
304L52.4Low47.9Very low129 Ų129116.2 Ų116.268%0.67564%0.644SS**  trans-74.183.7167.4-79.4142.5000107.3L302L302-L304 HydrophobicContact CB-CD1 4.15Å; L302-L304 PolarHBondContact O-N 3.46Å
305G57.1Low47.7Very low33 Ų33119.3 Ų119.334%0.3466%0.656SS.*  trans-48.5151.4176.600000112.5N303 T307N303-G305 PolarHBondContact O-N 2.89Å; G305-T307 PolarHBondContact O-N 3.01Å
306R51Low47.9Very low216 Ų216121.1 Ų121.182%0.81566%0.655SS**  trans-32.5106.7-175-81.8177.6171.7176.5-4112.5
307T58Low47.7Very low87 Ų87124.8 Ų124.853%0.53467%0.665SS.*  trans-69.9151.9170.553.40000109.4G305 A309 S310G305-T307 PolarHBondContact O-N 3.01Å; T307-A309 PolarHBondContact O-N 3.25Å; T307-A309 VanDerWaalsContact O-N 3.08Å; T307-S310 WeakPolarHBondContact O-CB 3.22Å; T307-S310 PolarHBondContact O-N 3.32Å
308Y48.2Very low47.5Very low106 Ų106125.6 Ų125.642%0.41668%0.676SS.*G310 helixtrans-52.5-31.1-177.7177.7-120.4000113.5F57 S310 G311F57-Y308 HydrophobicContact CD1-CE2 4.37Å; F57-Y308 AromaticContact CE1-CD2 3.76Å; F57-Y308 HydrophobicContact CE1-CD2 3.76Å; F57-Y308 AromaticContact CE1-CE2 3.26Å; F57-Y308 HydrophobicContact CE1-CE2 3.26Å; F57-Y308 AromaticContact CZ-CD2 3.61Å; F57-Y308 HydrophobicContact CZ-CD2 3.61Å; F57-Y308 AromaticContact CZ-CE2 3.6Å; F57-Y308 HydrophobicContact CZ-CE2 3.6Å; Y308-S310 VanDerWaalsContact C-N 3.29Å; Y308-S310 PolarHBondContact O-N 3.03Å; Y308-G311 PolarHBondContact O-N 3.2Å
309A47Very low47.3Very low81 Ų81129.3 Ų129.367%0.66969%0.686SS**G310 helixtrans-65.9-22.9177.200000114.7T307 G311T307-A309 PolarHBondContact O-N 3.25Å; T307-A309 VanDerWaalsContact O-N 3.08Å; A309-G311 PolarHBondContact O-N 3.07Å
310S50Low47.4Very low65 Ų65133.3 Ų133.346%0.45572%0.715SS.*G310 helixtrans-72.2-11.3-179.8174.20000113.6T307 Y308 Y312T307-S310 WeakPolarHBondContact O-CB 3.22Å; T307-S310 PolarHBondContact O-N 3.32Å; Y308-S310 VanDerWaalsContact C-N 3.29Å; Y308-S310 PolarHBondContact O-N 3.03Å; S310-Y312 PolarHBondContact O-N 3.19Å
311G44.8Very low47.2Very low55 Ų55135.5 Ų135.557%0.56772%0.719SS**G310 helixtrans-82.1-4.9-174.200000116Y308 A309Y308-G311 PolarHBondContact O-N 3.2Å; A309-G311 PolarHBondContact O-N 3.07Å
312Y46.1Very low47.2Very low205 Ų205137.2 Ų137.280%0.80472%0.719SS**G310 helixtrans-98.9-2.4-175.3-96.7-87.4000114.7S310S310-Y312 PolarHBondContact O-N 3.19Å
313A45.9Very low47.2Very low78 Ų78139.2 Ų139.265%0.64573%0.73SS**SBendtrans-948.2-167.900000116.2
314H42.7Very low46.9Very low166 Ų166137.8 Ų137.877%0.76972%0.721SS**  trans-134.785175.9-77.6-76000111.5
315F34.8Very low46.5Very low208 Ų208138.3 Ų138.391%0.91272%0.724SS**  trans-98.4103.5149.2-115.8-95.3000105.5
316E46Very low45.8Very low172 Ų172145.3 Ų145.380%0.80475%0.75SS**PPolyproline II helixtrans-80.9121161.9-76.1178.1166.600106.6
317E37.9Very low45.4Very low176 Ų176140.3 Ų140.382%0.82275%0.745SS**PPolyproline II helixtrans-64.5139.5168.8-70.4-177.215200109.1E319E317-E319 PolarHBondContact O-N 3.13Å
318P42.4Very low44.5Very low127 Ų127144.4 Ų144.483%0.82576%0.761SS**PPolyproline II helixtrans-72.5118.9171.728.7-29.7000109.3
319E46.2Very low44.2Very low193 Ų193147.6 Ų147.690%0.90279%0.79SS**PPolyproline II helixtrans-73.2131162.8-69.6-168.6154.700109.3E317E317-E319 PolarHBondContact O-N 3.13Å
320D45.9Very low43.9Very low245 Ų245153.6 Ų153.6100%1.3180%0.801SS**  trans-61.10170-80.7-45.2000112.8

Retrieved 320 of 320 residues in 131.3 ms (Link to these results)