A0A087XTZ0_POEFO Loading...

Protein inhibitor of activated STAT 1

AlphaFold DB (A0A3B3TZ07), UniProt , Accession A0A087XTZ0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 656 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
1M51.5Low79.5Confident224 Ų22476.2 Ų76.2100%1.10342%0.417SS*.  0-45.80-79.6-157.6-84.100114E3 S4M1-E3 PolarHBondContact O-N 3.18Å; M1-S4 WeakPolarHBondContact O-CB 3.43Å; M1-S4 PolarHBondContact O-N 3.02Å
2A53.6Low80.6Confident85 Ų8579.2 Ų79.270%0.70243%0.429SS*.Hα-helixtrans-45.5-49.1-173.200000115.8S4 A5 E6A2-S4 PolarHBondContact O-N 2.84Å; A2-S4 VanDerWaalsContact O-N 3.15Å; A2-A5 WeakPolarHBondContact O-CA 3.36Å; A2-A5 WeakPolarHBondContact O-CB 3.45Å; A2-A5 PolarHBondContact O-N 3.34Å; A2-E6 PolarHBondContact O-N 3.17Å; A2-E6 VanDerWaalsContact O-N 3.15Å
3E67.6Low81.5Confident93 Ų9375.1 Ų75.144%0.43541%0.41SS..Hα-helixtrans-57.6-30.6180-177.8167.9-142.300114M1 A5 E6 L7 K58M1-E3 PolarHBondContact O-N 3.18Å; E3-A5 VanDerWaalsContact C-N 3.28Å; E3-A5 PolarHBondContact O-N 3.02Å; E3-E6 PolarHBondContact O-N 3.02Å; E3-L7 HydrophobicContact CG-CD1 4.06Å; E3-L7 HydrophobicContact CG-CG 4.42Å; E3-L7 WeakPolarHBondContact O-CB 3.29Å; E3-L7 WeakPolarHBondContact O-CG 3.46Å; E3-L7 PolarHBondContact O-N 3.12Å; E3-K58 IonicContact OE1-NZ 2.63Å; E3-K58 PolarHBondContact OE1-NZ 2.87Å
4S75.5Confident82.5Confident47 Ų4769.7 Ų69.733%0.32938%0.38SS..Hα-helixtrans-72.3-20.4175-172.90000112.9M1 A2 K8M1-S4 WeakPolarHBondContact O-CB 3.43Å; M1-S4 PolarHBondContact O-N 3.02Å; A2-S4 PolarHBondContact O-N 2.84Å; A2-S4 VanDerWaalsContact O-N 3.15Å; S4-K8 WeakPolarHBondContact O-CD 3.41Å; S4-K8 WeakPolarHBondContact O-CE 3.32Å; S4-K8 WeakPolarHBondContact O-CG 3.36Å; S4-K8 PolarHBondContact O-NZ 3.44Å; S4-K8 PolarHBondContact OG-NZ 3.06Å
5A80.4Confident83.3Confident61 Ų6174.2 Ų74.250%0.50439%0.389SS..Hα-helixtrans-82.3-45.3171.300000110.6A2 E3 L7 K8 Q9A2-A5 WeakPolarHBondContact O-CA 3.36Å; A2-A5 WeakPolarHBondContact O-CB 3.45Å; A2-A5 PolarHBondContact O-N 3.34Å; E3-A5 VanDerWaalsContact C-N 3.28Å; E3-A5 PolarHBondContact O-N 3.02Å; A5-L7 PolarHBondContact O-N 3.13Å; A5-K8 WeakPolarHBondContact O-CB 3.24Å; A5-K8 PolarHBondContact O-N 3.44Å; A5-K8 VanDerWaalsContact O-N 3.13Å; A5-Q9 PolarHBondContact O-N 2.92Å
6E87.3Confident84Confident95 Ų9573.3 Ų73.344%0.44439%0.387SS..Hα-helixtrans-57.1-49.4177.3-166-165.8167.500111.7A2 E3 K8 Q9 M10A2-E6 PolarHBondContact O-N 3.17Å; A2-E6 VanDerWaalsContact O-N 3.15Å; E3-E6 PolarHBondContact O-N 3.02Å; E6-K8 VanDerWaalsContact C-N 3.27Å; E6-K8 PolarHBondContact O-N 3.1Å; E6-Q9 WeakPolarHBondContact O-CB 3.39Å; E6-Q9 PolarHBondContact O-N 3.18Å; E6-Q9 VanDerWaalsContact O-N 3.11Å; E6-M10 HydrophobicContact CG-CE 4.05Å; E6-M10 WeakPolarHBondContact O-CG 3.4Å; E6-M10 PolarHBondContact O-N 3.37Å; E6-M10 WeakPolarHBondContact OE1-CE 3.49Å
7L89.7Confident84.6Confident4 Ų472.9 Ų72.92%0.02139%0.392CS..Hα-helixtrans-60.3-32.9177.2-74.6169.4000113.2E3 A5 M10 V11 L45 Q54 I57 K58E3-L7 HydrophobicContact CG-CD1 4.06Å; E3-L7 HydrophobicContact CG-CG 4.42Å; E3-L7 WeakPolarHBondContact O-CB 3.29Å; E3-L7 WeakPolarHBondContact O-CG 3.46Å; E3-L7 PolarHBondContact O-N 3.12Å; A5-L7 PolarHBondContact O-N 3.13Å; L7-M10 HydrophobicContact CD2-SD 4.42Å; L7-V11 WeakPolarHBondContact O-CB 3.23Å; L7-V11 WeakPolarHBondContact O-CG2 3.37Å; L7-V11 PolarHBondContact O-N 3.08Å; L7-L45 HydrophobicContact CB-CD1 4.07Å; L7-L45 HydrophobicContact CB-CD2 3.95Å; L7-L45 HydrophobicContact CD1-CD2 4.23Å; L7-Q54 HydrophobicContact CD1-CB 4.04Å; L7-Q54 HydrophobicContact CD1-CG 3.78Å; L7-Q54 HydrophobicContact CD2-CB 4.37Å; L7-I57 HydrophobicContact CD2-CB 3.98Å; L7-I57 HydrophobicContact CD2-CD1 4.39Å; L7-I57 HydrophobicContact CD2-CG2 3.69Å; L7-K58 HydrophobicContact CD2-CG 4.1Å
8K89.7Confident85.2Confident70 Ų7070.4 Ų70.430%0.30438%0.378SS..Hα-helixtrans-69.2-43.4175-70.4166.2-167.1138.20110.7S4 A5 E6 M10 V11 M12 L42 L45S4-K8 WeakPolarHBondContact O-CD 3.41Å; S4-K8 WeakPolarHBondContact O-CE 3.32Å; S4-K8 WeakPolarHBondContact O-CG 3.36Å; S4-K8 PolarHBondContact O-NZ 3.44Å; S4-K8 PolarHBondContact OG-NZ 3.06Å; A5-K8 WeakPolarHBondContact O-CB 3.24Å; A5-K8 PolarHBondContact O-N 3.44Å; A5-K8 VanDerWaalsContact O-N 3.13Å; E6-K8 VanDerWaalsContact C-N 3.27Å; E6-K8 PolarHBondContact O-N 3.1Å; K8-M10 VanDerWaalsContact C-N 3.35Å; K8-M10 PolarHBondContact O-N 2.63Å; K8-V11 PolarHBondContact O-N 3.25Å; K8-M12 WeakPolarHBondContact O-CB 3.49Å; K8-M12 VanDerWaalsContact O-CG 3.27Å; K8-M12 WeakPolarHBondContact O-CG 3.46Å; K8-M12 PolarHBondContact O-N 3.38Å; K8-L42 HydrophobicContact CB-CD2 4.06Å; K8-L42 HydrophobicContact CG-CD2 4.03Å; K8-L45 HydrophobicContact CB-CD1 4.35Å; K8-L45 HydrophobicContact CG-CB 4.44Å; K8-L45 HydrophobicContact CG-CD1 3.7Å
9Q91.1Very high85.8Confident140 Ų14066.7 Ų66.765%0.65436%0.358SS*.Hα-helixtrans-62.1-41.7175.4-172.4175.5-0.900111.6A5 E6 M12 S13A5-Q9 PolarHBondContact O-N 2.92Å; E6-Q9 WeakPolarHBondContact O-CB 3.39Å; E6-Q9 PolarHBondContact O-N 3.18Å; E6-Q9 VanDerWaalsContact O-N 3.11Å; Q9-M12 PolarHBondContact O-N 3.24Å; Q9-S13 PolarHBondContact O-N 2.96Å
10M93.8Very high86.2Confident19 Ų1966.6 Ų66.69%0.09436%0.355CS..Hα-helixtrans-57.7-52172.3-69.7-173.2178.600111.6E6 L7 K8 M12 S13 I57 K58 Y61E6-M10 HydrophobicContact CG-CE 4.05Å; E6-M10 WeakPolarHBondContact O-CG 3.4Å; E6-M10 PolarHBondContact O-N 3.37Å; E6-M10 WeakPolarHBondContact OE1-CE 3.49Å; L7-M10 HydrophobicContact CD2-SD 4.42Å; K8-M10 VanDerWaalsContact C-N 3.35Å; K8-M10 PolarHBondContact O-N 2.63Å; M10-M12 PolarHBondContact O-N 3.44Å; M10-S13 WeakPolarHBondContact O-CB 3.43Å; M10-S13 PolarHBondContact O-N 2.98Å; M10-S13 VanDerWaalsContact O-N 3.16Å; M10-S13 PolarHBondContact O-OG 3.13Å; M10-I57 HydrophobicContact CB-CG2 3.65Å; M10-I57 HydrophobicContact SD-CG2 4.17Å; M10-K58 HydrophobicContact CE-CG 4.33Å; M10-K58 HydrophobicContact SD-CG 3.88Å; M10-Y61 HydrophobicContact CB-CD2 3.68Å; M10-Y61 HydrophobicContact CB-CE2 4.26Å; M10-Y61 HydrophobicContact CB-CG 3.92Å; M10-Y61 HydrophobicContact CE-CD1 3.91Å; M10-Y61 HydrophobicContact CE-CE1 4.27Å; M10-Y61 HydrophobicContact CE-CG 4.43Å; M10-Y61 HydrophobicContact CG-CD1 3.88Å; M10-Y61 HydrophobicContact CG-CD2 3.68Å; M10-Y61 HydrophobicContact CG-CE1 4.23Å; M10-Y61 HydrophobicContact CG-CE2 4.03Å; M10-Y61 HydrophobicContact CG-CG 3.58Å; M10-Y61 HydrophobicContact SD-CD1 4.06Å; M10-Y61 HydrophobicContact SD-CG 3.98Å
11V94.6Very high86.7Confident0 Ų067.1 Ų67.10%036%0.36CS..Hα-helixtrans-61.5-40.2179.3164.80000112.6L7 K8 S13 L14 L19 L22 L38 A41 L42 L45 I57L7-V11 WeakPolarHBondContact O-CB 3.23Å; L7-V11 WeakPolarHBondContact O-CG2 3.37Å; L7-V11 PolarHBondContact O-N 3.08Å; K8-V11 PolarHBondContact O-N 3.25Å; V11-S13 PolarHBondContact O-N 2.85Å; V11-L14 WeakPolarHBondContact O-CB 3.2Å; V11-L14 PolarHBondContact O-N 2.93Å; V11-L19 HydrophobicContact CG1-CD2 4.12Å; V11-L22 HydrophobicContact CG2-CD2 4Å; V11-L38 HydrophobicContact CG1-CD1 3.72Å; V11-A41 HydrophobicContact CG1-CB 3.76Å; V11-L42 HydrophobicContact CB-CD2 4.3Å; V11-L42 HydrophobicContact CG1-CD2 3.87Å; V11-L42 HydrophobicContact CG1-CG 4.16Å; V11-L45 HydrophobicContact CB-CD1 4.31Å; V11-L45 HydrophobicContact CG2-CD1 3.93Å; V11-I57 HydrophobicContact CG2-CB 4.41Å; V11-I57 HydrophobicContact CG2-CD1 3.61Å; V11-I57 HydrophobicContact CG2-CG1 3.73Å; V11-I57 HydrophobicContact CG2-CG2 3.77Å
12M92.7Very high88.8Confident112 Ų11256.5 Ų56.555%0.55231%0.308SS*.Hα-helixtrans-62.5-28.9176.4-74172.867.300113.3K8 Q9 M10 L14 L38 L42K8-M12 WeakPolarHBondContact O-CB 3.49Å; K8-M12 VanDerWaalsContact O-CG 3.27Å; K8-M12 WeakPolarHBondContact O-CG 3.46Å; K8-M12 PolarHBondContact O-N 3.38Å; Q9-M12 PolarHBondContact O-N 3.24Å; M10-M12 PolarHBondContact O-N 3.44Å; M12-L14 VanDerWaalsContact C-N 3.34Å; M12-L38 HydrophobicContact CG-CD1 4.23Å; M12-L42 HydrophobicContact CG-CD1 4.31Å; M12-L42 HydrophobicContact CG-CD2 4.34Å
13S92.6Very high90.7Very high26 Ų2652.4 Ų52.418%0.18228%0.275CS..Hα-helixtrans-71.9-25.4177.282.70000113.9Q9 M10 V11 Y61 R64Q9-S13 PolarHBondContact O-N 2.96Å; M10-S13 WeakPolarHBondContact O-CB 3.43Å; M10-S13 PolarHBondContact O-N 2.98Å; M10-S13 VanDerWaalsContact O-N 3.16Å; M10-S13 PolarHBondContact O-OG 3.13Å; V11-S13 PolarHBondContact O-N 2.85Å; S13-Y61 VanDerWaalsContact OG-CD2 3.32Å; S13-Y61 WeakPolarHBondContact OG-CD2 3.36Å; S13-Y61 WeakPolarHBondContact OG-CE2 3.32Å; S13-R64 PolarHBondContact O-NE 3.29Å; S13-R64 PolarHBondContact O-NH1 2.91Å; S13-R64 PolarHBondContact O-NH2 2.99Å; S13-R64 VanDerWaalsContact O-NH2 3.14Å
14L94.5Very high92Very high0 Ų050 Ų500%028%0.275CS..  trans-64.7151.9-168-62.3-177.4000113.3V11 M12 E18 L19 L22 K34 L60V11-L14 WeakPolarHBondContact O-CB 3.2Å; V11-L14 PolarHBondContact O-N 2.93Å; M12-L14 VanDerWaalsContact C-N 3.34Å; L14-E18 WeakPolarHBondContact CA-OE2 3.34Å; L14-E18 HydrophobicContact CB-CB 3.98Å; L14-E18 HydrophobicContact CD1-CB 4.49Å; L14-E18 HydrophobicContact CD2-CB 4.18Å; L14-E18 HydrophobicContact CG-CB 4.43Å; L14-L19 HydrophobicContact CB-CD2 4.08Å; L14-L19 HydrophobicContact CB-CG 3.92Å; L14-L19 HydrophobicContact CD1-CD2 4.23Å; L14-L22 HydrophobicContact CD1-CD2 4.23Å; L14-K34 WeakPolarHBondContact O-CE 3.4Å; L14-K34 PolarHBondContact O-NZ 2.71Å; L14-L60 HydrophobicContact CD1-CB 4.5Å; L14-L60 HydrophobicContact CD1-CD1 4.49Å; L14-L60 HydrophobicContact CD2-CB 4.15Å
15R95.1Very high92.8Very high137 Ų13753.4 Ų53.452%0.51728%0.281SS..  trans-79.2169.6170.5-61.6-173.8178.6107.6-13.2111.4S17 E18 L19R15-S17 PolarHBondContact O-N 2.99Å; R15-E18 HydrophobicContact CB-CB 4.49Å; R15-E18 HydrophobicContact CB-CG 4.25Å; R15-E18 VanDerWaalsContact CD-OE1 3.32Å; R15-E18 WeakPolarHBondContact CD-OE1 3.28Å; R15-E18 WeakPolarHBondContact CG-OE1 3.34Å; R15-E18 IonicContact CZ-OE1 2.72Å; R15-E18 PolarHBondContact N-OE2 3.1Å; R15-E18 IonicContact NE-OE1 3.17Å; R15-E18 IonicContact NH1-OE1 3.45Å; R15-E18 PolarHBondContact NH1-OE1 3.02Å; R15-E18 PolarHBondContact O-N 2.8Å; R15-L19 WeakPolarHBondContact O-CG 3.1Å; R15-L19 PolarHBondContact O-N 2.86Å
16V94Very high93.3Very high59 Ų5951.7 Ų51.736%0.35827%0.267SS..Hα-helixtrans-53.7-54.8176.1172.70000111.3E18 L19 Q20 K34 L37V16-E18 VanDerWaalsContact C-N 3.33Å; V16-E18 PolarHBondContact O-N 3.01Å; V16-L19 WeakPolarHBondContact O-CB 3.29Å; V16-L19 PolarHBondContact O-N 3.23Å; V16-L19 VanDerWaalsContact O-N 3.16Å; V16-Q20 HydrophobicContact CG1-CG 4.35Å; V16-Q20 VanDerWaalsContact O-CG 3.27Å; V16-Q20 WeakPolarHBondContact O-CG 3.43Å; V16-Q20 PolarHBondContact O-N 2.92Å; V16-K34 HydrophobicContact CG2-CB 3.69Å; V16-K34 HydrophobicContact CG2-CD 4.5Å; V16-K34 HydrophobicContact CG2-CG 3.89Å; V16-L37 HydrophobicContact CG1-CD1 3.88Å
17S94.6Very high93.4Very high67 Ų6750.3 Ų50.347%0.46928%0.278SS..Hα-helixtrans-58.2-41.5179.147.90000113.3R15 Q20 V21R15-S17 PolarHBondContact O-N 2.99Å; S17-Q20 PolarHBondContact O-N 2.82Å; S17-V21 WeakPolarHBondContact O-CG2 3.5Å; S17-V21 PolarHBondContact O-N 2.68Å
18E96.1Very high93.4Very high28 Ų2857.4 Ų57.413%0.13131%0.305CS..Hα-helixtrans-64.9-41.2177.7-64.7152.9-156.400111.1L14 R15 V16 V21 L22 R64L14-E18 WeakPolarHBondContact CA-OE2 3.34Å; L14-E18 HydrophobicContact CB-CB 3.98Å; L14-E18 HydrophobicContact CD1-CB 4.49Å; L14-E18 HydrophobicContact CD2-CB 4.18Å; L14-E18 HydrophobicContact CG-CB 4.43Å; R15-E18 HydrophobicContact CB-CB 4.49Å; R15-E18 HydrophobicContact CB-CG 4.25Å; R15-E18 VanDerWaalsContact CD-OE1 3.32Å; R15-E18 WeakPolarHBondContact CD-OE1 3.28Å; R15-E18 WeakPolarHBondContact CG-OE1 3.34Å; R15-E18 IonicContact CZ-OE1 2.72Å; R15-E18 PolarHBondContact N-OE2 3.1Å; R15-E18 IonicContact NE-OE1 3.17Å; R15-E18 IonicContact NH1-OE1 3.45Å; R15-E18 PolarHBondContact NH1-OE1 3.02Å; R15-E18 PolarHBondContact O-N 2.8Å; V16-E18 VanDerWaalsContact C-N 3.33Å; V16-E18 PolarHBondContact O-N 3.01Å; E18-V21 PolarHBondContact O-N 2.99Å; E18-L22 WeakPolarHBondContact O-CB 3.36Å; E18-L22 PolarHBondContact O-N 2.83Å; E18-R64 IonicContact OE1-NE 2.75Å; E18-R64 VanDerWaalsContact OE2-CD 3.29Å; E18-R64 WeakPolarHBondContact OE2-CD 3.47Å; E18-R64 IonicContact OE2-NE 2.68Å; E18-R64 PolarHBondContact OE2-NE 2.97Å
19L95.8Very high93.5Very high0 Ų058.9 Ų58.90%032%0.316CS..Hα-helixtrans-66.7-36.2172.3-69.9165.9000112.5V11 L14 R15 V16 L22 L23 K34 L37 L38 A41V11-L19 HydrophobicContact CG1-CD2 4.12Å; L14-L19 HydrophobicContact CB-CD2 4.08Å; L14-L19 HydrophobicContact CB-CG 3.92Å; L14-L19 HydrophobicContact CD1-CD2 4.23Å; R15-L19 WeakPolarHBondContact O-CG 3.1Å; R15-L19 PolarHBondContact O-N 2.86Å; V16-L19 WeakPolarHBondContact O-CB 3.29Å; V16-L19 PolarHBondContact O-N 3.23Å; V16-L19 VanDerWaalsContact O-N 3.16Å; L19-L22 PolarHBondContact O-N 2.77Å; L19-L23 WeakPolarHBondContact O-CB 3.49Å; L19-L23 VanDerWaalsContact O-CG 3.29Å; L19-L23 WeakPolarHBondContact O-CG 3.18Å; L19-L23 PolarHBondContact O-N 2.98Å; L19-K34 HydrophobicContact CD1-CG 4.18Å; L19-L37 HydrophobicContact CB-CB 4.18Å; L19-L37 HydrophobicContact CD1-CB 4.34Å; L19-L38 HydrophobicContact CD1-CB 4.14Å; L19-L38 HydrophobicContact CD2-CD1 4.34Å; L19-A41 HydrophobicContact CD2-CB 3.82Å
20Q94.6Very high93.6Very high65 Ų6557.5 Ų57.530%0.30431%0.308SS..Hα-helixtrans-67.3-39.6176.3-69.5178.9-58.300112.1V16 S17 G24 K30 L37V16-Q20 HydrophobicContact CG1-CG 4.35Å; V16-Q20 VanDerWaalsContact O-CG 3.27Å; V16-Q20 WeakPolarHBondContact O-CG 3.43Å; V16-Q20 PolarHBondContact O-N 2.92Å; S17-Q20 PolarHBondContact O-N 2.82Å; Q20-G24 PolarHBondContact O-N 2.91Å; Q20-K30 HydrophobicContact CB-CB 4.33Å; Q20-K30 VanDerWaalsContact CG-O 3.3Å; Q20-K30 WeakPolarHBondContact CG-O 3.36Å; Q20-K30 PolarHBondContact NE2-O 3.39Å; Q20-L37 HydrophobicContact CG-CD1 3.82Å; Q20-L37 HydrophobicContact CG-CD2 4.45Å
21V95.7Very high93.4Very high77 Ų7762.1 Ų62.147%0.46733%0.329SS..Hα-helixtrans-64.1-44.3172.5169.20000110.8S17 E18 G24 Y25 L60S17-V21 WeakPolarHBondContact O-CG2 3.5Å; S17-V21 PolarHBondContact O-N 2.68Å; E18-V21 PolarHBondContact O-N 2.99Å; V21-G24 PolarHBondContact O-N 3.03Å; V21-Y25 VanDerWaalsContact O-CB 3.28Å; V21-Y25 WeakPolarHBondContact O-CB 3.35Å; V21-Y25 PolarHBondContact O-N 3.3Å; V21-L60 HydrophobicContact CG1-CD1 4.49Å; V21-L60 HydrophobicContact CG1-CD2 4.23Å
22L95.6Very high93.3Very high1 Ų163.9 Ų63.91%0.00535%0.347CS..Hα-helixtrans-62.2-45.4177.2179.961.6000112.5V11 L14 E18 L19 Y25 A26 A41 V53 K56 I57 L60V11-L22 HydrophobicContact CG2-CD2 4Å; L14-L22 HydrophobicContact CD1-CD2 4.23Å; E18-L22 WeakPolarHBondContact O-CB 3.36Å; E18-L22 PolarHBondContact O-N 2.83Å; L19-L22 PolarHBondContact O-N 2.77Å; L22-Y25 PolarHBondContact O-N 3.2Å; L22-A26 WeakPolarHBondContact O-CB 3.4Å; L22-A26 PolarHBondContact O-N 3.28Å; L22-A26 VanDerWaalsContact O-N 3.08Å; L22-A41 HydrophobicContact CD2-CB 4.17Å; L22-V53 HydrophobicContact CD1-CG1 3.9Å; L22-K56 HydrophobicContact CD1-CB 4.2Å; L22-K56 HydrophobicContact CD1-CG 4.36Å; L22-I57 HydrophobicContact CD1-CD1 4.45Å; L22-I57 HydrophobicContact CD1-CG1 3.68Å; L22-I57 HydrophobicContact CD2-CD1 4.32Å; L22-I57 HydrophobicContact CD2-CG1 3.74Å; L22-I57 HydrophobicContact CG-CG1 4.39Å; L22-L60 HydrophobicContact CB-CD1 3.91Å
23L94.6Very high93.2Very high0 Ų068 Ų680%036%0.356CS..Hα-helixtrans-68.1-41.3178.4-72.9167.3000111.9L19 A26 G27 R28 L37 K40 A41 L44L19-L23 WeakPolarHBondContact O-CB 3.49Å; L19-L23 VanDerWaalsContact O-CG 3.29Å; L19-L23 WeakPolarHBondContact O-CG 3.18Å; L19-L23 PolarHBondContact O-N 2.98Å; L23-A26 CarbonylContact O-C 3.57Å; L23-A26 PolarHBondContact O-N 2.56Å; L23-G27 PolarHBondContact O-N 3.34Å; L23-R28 HydrophobicContact CB-CB 4.29Å; L23-R28 HydrophobicContact CD2-CB 3.89Å; L23-R28 HydrophobicContact CD2-CG 4.45Å; L23-R28 PolarHBondContact O-N 2.84Å; L23-L37 HydrophobicContact CD1-CB 4.02Å; L23-L37 HydrophobicContact CD1-CD2 3.56Å; L23-L37 HydrophobicContact CD1-CG 4.4Å; L23-K40 HydrophobicContact CD1-CB 4.13Å; L23-K40 HydrophobicContact CD1-CD 4.4Å; L23-K40 HydrophobicContact CD2-CB 3.73Å; L23-A41 HydrophobicContact CD2-CB 4.47Å; L23-L44 HydrophobicContact CD2-CD1 3.99Å
24G93.5Very high93.2Very high42 Ų4271 Ų7143%0.43337%0.366SS..Hα-helixtrans-61.7-43.7174.600000112.4Q20 V21 A26 G27Q20-G24 PolarHBondContact O-N 2.91Å; V21-G24 PolarHBondContact O-N 3.03Å; G24-A26 PolarHBondContact O-N 3.47Å; G24-G27 PolarHBondContact O-N 3.26Å; G24-G27 VanDerWaalsContact O-N 3.08Å
25Y93.4Very high93.2Very high119 Ų11977.6 Ų77.647%0.46740%0.396SS..Hα-helixtrans-61.6-31.6174.1-177.1-102.4000112.9V21 L22 A52 V53 K56V21-Y25 VanDerWaalsContact O-CB 3.28Å; V21-Y25 WeakPolarHBondContact O-CB 3.35Å; V21-Y25 PolarHBondContact O-N 3.3Å; L22-Y25 PolarHBondContact O-N 3.2Å; Y25-A52 HydrophobicContact CE1-CB 4.4Å; Y25-V53 HydrophobicContact CD1-CG2 4.26Å; Y25-V53 HydrophobicContact CE1-CG2 4.25Å; Y25-K56 HydrophobicContact CD1-CB 3.8Å; Y25-K56 HydrophobicContact CD1-CD 3.92Å; Y25-K56 HydrophobicContact CD1-CG 3.67Å; Y25-K56 HydrophobicContact CD2-CD 4.04Å; Y25-K56 HydrophobicContact CE1-CB 3.81Å; Y25-K56 HydrophobicContact CE1-CD 3.99Å; Y25-K56 HydrophobicContact CE1-CG 4.03Å; Y25-K56 HydrophobicContact CE2-CD 4.12Å; Y25-K56 HydrophobicContact CG-CD 3.95Å; Y25-K56 HydrophobicContact CG-CG 3.97Å
26A90.4Very high93.1Very high25 Ų2575 Ų7521%0.20739%0.39CS..THydrogen-bonded Turntrans-89.912.5175.200000114.3L22 L23 G24 R28 L44 V53L22-A26 WeakPolarHBondContact O-CB 3.4Å; L22-A26 PolarHBondContact O-N 3.28Å; L22-A26 VanDerWaalsContact O-N 3.08Å; L23-A26 CarbonylContact O-C 3.57Å; L23-A26 PolarHBondContact O-N 2.56Å; G24-A26 PolarHBondContact O-N 3.47Å; A26-R28 VanDerWaalsContact C-N 3.3Å; A26-R28 HydrophobicContact CB-CG 4.45Å; A26-R28 PolarHBondContact O-N 2.93Å; A26-L44 HydrophobicContact CB-CD1 3.54Å; A26-L44 HydrophobicContact CB-CD2 4.38Å; A26-V53 HydrophobicContact CB-CG2 4.2Å
27G90.1Very high93.1Very high66 Ų6672.1 Ų72.168%0.6837%0.373SS*.THydrogen-bonded Turntrans6526.8178.600000114.7L23 G24L23-G27 PolarHBondContact O-N 3.34Å; G24-G27 PolarHBondContact O-N 3.26Å; G24-G27 VanDerWaalsContact O-N 3.08Å
28R89.1Confident93.1Very high152 Ų15270.2 Ų70.257%0.57436%0.357SS*.  trans-111.7156.5-177.8-57.6-48.9-171.2-177.52.8112.4L23 A26 K30 L44L23-R28 HydrophobicContact CB-CB 4.29Å; L23-R28 HydrophobicContact CD2-CB 3.89Å; L23-R28 HydrophobicContact CD2-CG 4.45Å; L23-R28 PolarHBondContact O-N 2.84Å; A26-R28 VanDerWaalsContact C-N 3.3Å; A26-R28 HydrophobicContact CB-CG 4.45Å; A26-R28 PolarHBondContact O-N 2.93Å; R28-K30 PolarHBondContact O-N 3.48Å; R28-K30 VanDerWaalsContact O-N 3.14Å; R28-L44 HydrophobicContact CG-CD1 4.41Å; R28-L44 HydrophobicContact CG-CD2 4.04Å
29N91.3Very high93.1Very high101 Ų10172.4 Ų72.454%0.5437%0.373SS..  trans-61115.2-178.3-176.2-13.7000112.1H31N29-H31 VanDerWaalsContact C-N 3.32Å; N29-H31 PolarHBondContact O-N 3.28Å; N29-H31 WeakPolarHBondContact OD1-CB 3.47Å; N29-H31 PolarHBondContact OD1-N 3.46Å; N29-H31 PolarHBondContact OD1-ND1 2.98Å
30K93.2Very high93Very high111 Ų11176 Ų7648%0.48339%0.388SS..  trans-80.14.4-177.868.3-174.9179.7-177.10115.3Q20 R28Q20-K30 HydrophobicContact CB-CB 4.33Å; Q20-K30 VanDerWaalsContact CG-O 3.3Å; Q20-K30 WeakPolarHBondContact CG-O 3.36Å; Q20-K30 PolarHBondContact NE2-O 3.39Å; R28-K30 PolarHBondContact O-N 3.48Å; R28-K30 VanDerWaalsContact O-N 3.14Å
31H90.7Very high92.9Very high117 Ų11773 Ų7354%0.54237%0.374SS..  trans-104148.8-179.5-51.4112.5000112.1N29 K40N29-H31 VanDerWaalsContact C-N 3.32Å; N29-H31 PolarHBondContact O-N 3.28Å; N29-H31 WeakPolarHBondContact OD1-CB 3.47Å; N29-H31 PolarHBondContact OD1-N 3.46Å; N29-H31 PolarHBondContact OD1-ND1 2.98Å; H31-K40 PolarHBondContact O-NZ 3.44Å
32G91.2Very high92.8Very high36 Ų3671.4 Ų71.437%0.37136%0.363SS..SBendtrans135.6169.9-178.600000113.7E36 L37G32-E36 WeakPolarHBondContact CA-OE2 3.29Å; G32-L37 WeakPolarHBondContact O-CD1 3.39Å
33R90.5Very high92.5Very high199 Ų19977.2 Ų77.275%0.75139%0.39SS*.  trans-72.2163.8173.7-55.9174.7173.7-175.4-1.3110.6H35 E36 L37R33-H35 VanDerWaalsContact C-N 3.25Å; R33-H35 PolarHBondContact O-N 2.96Å; R33-H35 VanDerWaalsContact O-N 3.12Å; R33-E36 WeakPolarHBondContact CB-OE1 3.47Å; R33-E36 WeakPolarHBondContact CD-OE1 3.39Å; R33-E36 WeakPolarHBondContact CG-OE1 3.34Å; R33-E36 VanDerWaalsContact N-CD 3.26Å; R33-E36 PolarHBondContact N-OE1 3.09Å; R33-E36 PolarHBondContact N-OE2 3.1Å; R33-E36 PolarHBondContact O-N 3.22Å; R33-L37 PolarHBondContact O-N 3.45Å; R33-L37 VanDerWaalsContact O-N 3.08Å
34K93.4Very high92.2Very high90 Ų9078.6 Ų78.639%0.39140%0.397SS..Hα-helixtrans-51.1-43.5-176.2-169-173.3176-174.80112.7L14 V16 L19 L37 L38L14-K34 WeakPolarHBondContact O-CE 3.4Å; L14-K34 PolarHBondContact O-NZ 2.71Å; V16-K34 HydrophobicContact CG2-CB 3.69Å; V16-K34 HydrophobicContact CG2-CD 4.5Å; V16-K34 HydrophobicContact CG2-CG 3.89Å; L19-K34 HydrophobicContact CD1-CG 4.18Å; K34-L37 PolarHBondContact O-N 3.31Å; K34-L38 VanDerWaalsContact O-CB 3.24Å; K34-L38 WeakPolarHBondContact O-CB 3.38Å; K34-L38 PolarHBondContact O-N 3.09Å
35H93.5Very high91.8Very high138 Ų13877.3 Ų77.364%0.63938%0.38SS*.Hα-helixtrans-64.6-42.5-179.2-176.378.4000112.5R33 L38 T39R33-H35 VanDerWaalsContact C-N 3.25Å; R33-H35 PolarHBondContact O-N 2.96Å; R33-H35 VanDerWaalsContact O-N 3.12Å; H35-L38 PolarHBondContact O-N 3.48Å; H35-T39 WeakPolarHBondContact O-CB 3.47Å; H35-T39 PolarHBondContact O-N 3.05Å; H35-T39 PolarHBondContact O-OG1 2.87Å; H35-T39 VanDerWaalsContact O-OG1 3.13Å
36E92.9Very high91.1Very high81 Ų8179.8 Ų79.838%0.37939%0.393SS..Hα-helixtrans-63.5-45.1177.1-62.8147.6-136.600111.6G32 R33 L38 T39 K40G32-E36 WeakPolarHBondContact CA-OE2 3.29Å; R33-E36 WeakPolarHBondContact CB-OE1 3.47Å; R33-E36 WeakPolarHBondContact CD-OE1 3.39Å; R33-E36 WeakPolarHBondContact CG-OE1 3.34Å; R33-E36 VanDerWaalsContact N-CD 3.26Å; R33-E36 PolarHBondContact N-OE1 3.09Å; R33-E36 PolarHBondContact N-OE2 3.1Å; R33-E36 PolarHBondContact O-N 3.22Å; E36-L38 VanDerWaalsContact C-N 3.35Å; E36-T39 PolarHBondContact O-N 3.27Å; E36-K40 WeakPolarHBondContact O-CD 3.43Å; E36-K40 VanDerWaalsContact O-CG 3.22Å; E36-K40 WeakPolarHBondContact O-CG 3.37Å; E36-K40 PolarHBondContact O-N 2.84Å
37L95.4Very high90.1Very high0 Ų082 Ų820%041%0.412CS..Hα-helixtrans-64.2-40.2176.6-63.2170.3000111.6V16 L19 Q20 L23 G32 R33 K34 K40 A41V16-L37 HydrophobicContact CG1-CD1 3.88Å; L19-L37 HydrophobicContact CB-CB 4.18Å; L19-L37 HydrophobicContact CD1-CB 4.34Å; Q20-L37 HydrophobicContact CG-CD1 3.82Å; Q20-L37 HydrophobicContact CG-CD2 4.45Å; L23-L37 HydrophobicContact CD1-CB 4.02Å; L23-L37 HydrophobicContact CD1-CD2 3.56Å; L23-L37 HydrophobicContact CD1-CG 4.4Å; G32-L37 WeakPolarHBondContact O-CD1 3.39Å; R33-L37 PolarHBondContact O-N 3.45Å; R33-L37 VanDerWaalsContact O-N 3.08Å; K34-L37 PolarHBondContact O-N 3.31Å; L37-K40 PolarHBondContact O-N 2.99Å; L37-A41 WeakPolarHBondContact O-CB 3.41Å; L37-A41 PolarHBondContact O-N 3.15Å
38L95.2Very high89Confident26 Ų2682.1 Ų82.114%0.13641%0.413CS..Hα-helixtrans-64.6-45.3175.7178.359.4000111.5V11 M12 L19 K34 H35 E36 K40 A41 L42V11-L38 HydrophobicContact CG1-CD1 3.72Å; M12-L38 HydrophobicContact CG-CD1 4.23Å; L19-L38 HydrophobicContact CD1-CB 4.14Å; L19-L38 HydrophobicContact CD2-CD1 4.34Å; K34-L38 VanDerWaalsContact O-CB 3.24Å; K34-L38 WeakPolarHBondContact O-CB 3.38Å; K34-L38 PolarHBondContact O-N 3.09Å; H35-L38 PolarHBondContact O-N 3.48Å; E36-L38 VanDerWaalsContact C-N 3.35Å; L38-K40 PolarHBondContact O-N 3.15Å; L38-A41 PolarHBondContact O-N 3.2Å; L38-L42 HydrophobicContact CD1-CD1 3.97Å; L38-L42 HydrophobicContact CD1-CG 4.01Å; L38-L42 HydrophobicContact CG-CD1 3.94Å; L38-L42 HydrophobicContact CG-CG 4.39Å; L38-L42 WeakPolarHBondContact O-CB 3.31Å; L38-L42 WeakPolarHBondContact O-CG 3.48Å; L38-L42 PolarHBondContact O-N 2.78Å
39T94.9Very high88.5Confident75 Ų7575.9 Ų75.946%0.4639%0.392SS..Hα-helixtrans-62.5-41.4176.7-67.10000111.6H35 E36 L42 H43H35-T39 WeakPolarHBondContact O-CB 3.47Å; H35-T39 PolarHBondContact O-N 3.05Å; H35-T39 PolarHBondContact O-OG1 2.87Å; H35-T39 VanDerWaalsContact O-OG1 3.13Å; E36-T39 PolarHBondContact O-N 3.27Å; T39-L42 PolarHBondContact O-N 3.49Å; T39-H43 WeakPolarHBondContact O-CB 3.33Å; T39-H43 PolarHBondContact O-N 3.31Å
40K93.6Very high88.2Confident75 Ų7573.9 Ų73.933%0.32639%0.387SS..Hα-helixtrans-59.4-45.5171.6-69.4163.8-175.6177.40111.7L23 H31 E36 L37 L38 H43 L44L23-K40 HydrophobicContact CD1-CB 4.13Å; L23-K40 HydrophobicContact CD1-CD 4.4Å; L23-K40 HydrophobicContact CD2-CB 3.73Å; H31-K40 PolarHBondContact O-NZ 3.44Å; E36-K40 WeakPolarHBondContact O-CD 3.43Å; E36-K40 VanDerWaalsContact O-CG 3.22Å; E36-K40 WeakPolarHBondContact O-CG 3.37Å; E36-K40 PolarHBondContact O-N 2.84Å; L37-K40 PolarHBondContact O-N 2.99Å; L38-K40 PolarHBondContact O-N 3.15Å; K40-H43 WeakPolarHBondContact O-CB 3.19Å; K40-H43 PolarHBondContact O-N 3.42Å; K40-L44 PolarHBondContact O-N 3.09Å
41A93.8Very high87.8Confident1 Ų173.3 Ų73.31%0.00839%0.394CS..Hα-helixtrans-68.8-37.1179.800000113.2V11 L19 L22 L23 L37 L38 H43 L44 L45V11-A41 HydrophobicContact CG1-CB 3.76Å; L19-A41 HydrophobicContact CD2-CB 3.82Å; L22-A41 HydrophobicContact CD2-CB 4.17Å; L23-A41 HydrophobicContact CD2-CB 4.47Å; L37-A41 WeakPolarHBondContact O-CB 3.41Å; L37-A41 PolarHBondContact O-N 3.15Å; L38-A41 PolarHBondContact O-N 3.2Å; A41-H43 VanDerWaalsContact C-N 3.31Å; A41-L44 WeakPolarHBondContact O-CB 3.43Å; A41-L44 PolarHBondContact O-N 3.23Å; A41-L45 PolarHBondContact O-N 2.87Å
42L92.9Very high87.6Confident44 Ų4470 Ų7023%0.2339%0.387CS..Hα-helixtrans-70.7-26.4173.7-68.8173.6000112.3K8 V11 M12 L38 T39 L45 K46K8-L42 HydrophobicContact CB-CD2 4.06Å; K8-L42 HydrophobicContact CG-CD2 4.03Å; V11-L42 HydrophobicContact CB-CD2 4.3Å; V11-L42 HydrophobicContact CG1-CD2 3.87Å; V11-L42 HydrophobicContact CG1-CG 4.16Å; M12-L42 HydrophobicContact CG-CD1 4.31Å; M12-L42 HydrophobicContact CG-CD2 4.34Å; L38-L42 HydrophobicContact CD1-CD1 3.97Å; L38-L42 HydrophobicContact CD1-CG 4.01Å; L38-L42 HydrophobicContact CG-CD1 3.94Å; L38-L42 HydrophobicContact CG-CG 4.39Å; L38-L42 WeakPolarHBondContact O-CB 3.31Å; L38-L42 WeakPolarHBondContact O-CG 3.48Å; L38-L42 PolarHBondContact O-N 2.78Å; T39-L42 PolarHBondContact O-N 3.49Å; L42-L45 HydrophobicContact CD2-CD1 4.37Å; L42-L45 PolarHBondContact O-N 3.01Å; L42-K46 PolarHBondContact O-N 3.37Å
43H88.8Confident87.5Confident123 Ų12368.9 Ų68.957%0.56937%0.373SS*.Hα-helixtrans-68.5-39.1171.7-159.9116.4000111.7T39 K40 A41 L45 K46 A47T39-H43 WeakPolarHBondContact O-CB 3.33Å; T39-H43 PolarHBondContact O-N 3.31Å; K40-H43 WeakPolarHBondContact O-CB 3.19Å; K40-H43 PolarHBondContact O-N 3.42Å; A41-H43 VanDerWaalsContact C-N 3.31Å; H43-L45 PolarHBondContact O-N 2.88Å; H43-K46 PolarHBondContact O-N 3.41Å; H43-A47 PolarHBondContact O-N 3.01Å
44L87.5Confident87.5Confident29 Ų2961.6 Ų61.615%0.15235%0.347CS..Hα-helixtrans-57-33.6172-67.1173.8000112.3L23 A26 R28 K40 A41 K46 C49L23-L44 HydrophobicContact CD2-CD1 3.99Å; A26-L44 HydrophobicContact CB-CD1 3.54Å; A26-L44 HydrophobicContact CB-CD2 4.38Å; R28-L44 HydrophobicContact CG-CD1 4.41Å; R28-L44 HydrophobicContact CG-CD2 4.04Å; K40-L44 PolarHBondContact O-N 3.09Å; A41-L44 WeakPolarHBondContact O-CB 3.43Å; A41-L44 PolarHBondContact O-N 3.23Å; L44-K46 VanDerWaalsContact C-N 3.33Å; L44-C49 WeakPolarHBondContact O-CB 3.21Å
45L85.7Confident87.4Confident15 Ų1563 Ų638%0.07936%0.357CS..THydrogen-bonded Turntrans-75.3-15.3174.6-71.2178.7000114.7L7 K8 V11 A41 L42 H43 C49 I57L7-L45 HydrophobicContact CB-CD1 4.07Å; L7-L45 HydrophobicContact CB-CD2 3.95Å; L7-L45 HydrophobicContact CD1-CD2 4.23Å; K8-L45 HydrophobicContact CB-CD1 4.35Å; K8-L45 HydrophobicContact CG-CB 4.44Å; K8-L45 HydrophobicContact CG-CD1 3.7Å; V11-L45 HydrophobicContact CB-CD1 4.31Å; V11-L45 HydrophobicContact CG2-CD1 3.93Å; A41-L45 PolarHBondContact O-N 2.87Å; L42-L45 HydrophobicContact CD2-CD1 4.37Å; L42-L45 PolarHBondContact O-N 3.01Å; H43-L45 PolarHBondContact O-N 2.88Å; L45-C49 HydrophobicContact CD2-CB 3.93Å; L45-I57 HydrophobicContact CD1-CD1 4.39Å; L45-I57 HydrophobicContact CD2-CD1 3.75Å; L45-I57 HydrophobicContact CG-CD1 4.26Å
46K79.2Confident87.4Confident171 Ų17158.3 Ų58.374%0.74334%0.335SS*.THydrogen-bonded Turntrans-90.1-35.9173.1-70.5-175.9175.7-174.80112.3L42 H43 L44 G48L42-K46 PolarHBondContact O-N 3.37Å; H43-K46 PolarHBondContact O-N 3.41Å; L44-K46 VanDerWaalsContact C-N 3.33Å; K46-G48 VanDerWaalsContact C-N 3.25Å; K46-G48 PolarHBondContact O-N 3.49Å; K46-G48 VanDerWaalsContact O-N 3.13Å
47A69.4Low87.5Confident73 Ų7354.6 Ų54.660%0.60332%0.317SS*.SBendtrans-83.829.4-172.400000115.1H43H43-A47 PolarHBondContact O-N 3.01Å
48G67.2Low87.3Confident68 Ų6856.9 Ų56.970%0.70133%0.327SS*.  trans72.665.9-176.700000113.3K46 S50K46-G48 VanDerWaalsContact C-N 3.25Å; K46-G48 PolarHBondContact O-N 3.49Å; K46-G48 VanDerWaalsContact O-N 3.13Å; G48-S50 PolarHBondContact O-N 2.99Å
49C79Confident87.3Confident20 Ų2058.1 Ų58.114%0.13533%0.332CS..  trans-58.7122.7-176.8-170.30000112.9L44 L45 V53 Q54L44-C49 WeakPolarHBondContact O-CB 3.21Å; L45-C49 HydrophobicContact CD2-CB 3.93Å; C49-V53 VanDerWaalsContact SG-CG1 3.53Å; C49-Q54 HydrophobicContact CB-CG 4.13Å; C49-Q54 PolarHBondContact O-NE2 2.92Å
50S84.9Confident87.2Confident60 Ų6055.2 Ų55.242%0.4231%0.314SS..  trans-65.9148.6179.969.70000112.1G48 A52 V53 Q54G48-S50 PolarHBondContact O-N 2.99Å; S50-A52 PolarHBondContact O-N 3.5Å; S50-A52 VanDerWaalsContact O-N 3.1Å; S50-V53 PolarHBondContact O-N 3.41Å; S50-Q54 PolarHBondContact O-N 3.49Å; S50-Q54 VanDerWaalsContact O-N 3.09Å
51P84.6Confident87.1Confident99 Ų9954.8 Ų54.864%0.64331%0.31SS*.Hα-helixtrans-54.4-34.5-177.9-28.535.7000113.8V53 Q54 M55P51-V53 PolarHBondContact O-N 3.33Å; P51-Q54 PolarHBondContact O-N 3.44Å; P51-M55 WeakPolarHBondContact O-CB 3.28Å; P51-M55 WeakPolarHBondContact O-CG 3.3Å; P51-M55 PolarHBondContact O-N 2.84Å
52A85.4Confident87Confident47 Ų4761.2 Ų61.239%0.38834%0.335SS..Hα-helixtrans-59.7-43.9175.200000112.7Y25 S50 M55 K56Y25-A52 HydrophobicContact CE1-CB 4.4Å; S50-A52 PolarHBondContact O-N 3.5Å; S50-A52 VanDerWaalsContact O-N 3.1Å; A52-M55 PolarHBondContact O-N 2.79Å; A52-K56 PolarHBondContact O-N 3.42Å
53V90.1Very high86.7Confident13 Ų1367.5 Ų67.58%0.07936%0.355CS..Hα-helixtrans-72.2-36.1177.7178.40000110.9L22 Y25 A26 C49 S50 P51 K56 I57L22-V53 HydrophobicContact CD1-CG1 3.9Å; Y25-V53 HydrophobicContact CD1-CG2 4.26Å; Y25-V53 HydrophobicContact CE1-CG2 4.25Å; A26-V53 HydrophobicContact CB-CG2 4.2Å; C49-V53 VanDerWaalsContact SG-CG1 3.53Å; S50-V53 PolarHBondContact O-N 3.41Å; P51-V53 PolarHBondContact O-N 3.33Å; V53-K56 WeakPolarHBondContact O-CB 3.39Å; V53-K56 PolarHBondContact O-N 2.83Å; V53-I57 HydrophobicContact CG1-CD1 4.43Å; V53-I57 WeakPolarHBondContact O-CG1 3.45Å; V53-I57 PolarHBondContact O-N 2.76Å
54Q91.1Very high86.3Confident46 Ų4665.1 Ų65.122%0.21534%0.341CS..Hα-helixtrans-61.9-43.1172.8-58.5-174.332.500111.9L7 C49 S50 P51 K56 I57 K58L7-Q54 HydrophobicContact CD1-CB 4.04Å; L7-Q54 HydrophobicContact CD1-CG 3.78Å; L7-Q54 HydrophobicContact CD2-CB 4.37Å; C49-Q54 HydrophobicContact CB-CG 4.13Å; C49-Q54 PolarHBondContact O-NE2 2.92Å; S50-Q54 PolarHBondContact O-N 3.49Å; S50-Q54 VanDerWaalsContact O-N 3.09Å; P51-Q54 PolarHBondContact O-N 3.44Å; Q54-K56 VanDerWaalsContact C-N 3.34Å; Q54-I57 WeakPolarHBondContact O-CB 3.41Å; Q54-I57 PolarHBondContact O-N 2.8Å; Q54-K58 WeakPolarHBondContact O-CG 3.45Å; Q54-K58 PolarHBondContact O-N 3.22Å
55M90.9Very high86.1Confident120 Ų12068 Ų6859%0.59135%0.353SS*.Hα-helixtrans-64.2-38173.7-72.3-64.8-79.400111.8P51 A52 I57 K58 E59P51-M55 WeakPolarHBondContact O-CB 3.28Å; P51-M55 WeakPolarHBondContact O-CG 3.3Å; P51-M55 PolarHBondContact O-N 2.84Å; A52-M55 PolarHBondContact O-N 2.79Å; M55-I57 VanDerWaalsContact C-N 3.34Å; M55-I57 PolarHBondContact O-N 2.82Å; M55-K58 PolarHBondContact O-N 3.13Å; M55-E59 WeakPolarHBondContact O-CB 3.37Å; M55-E59 PolarHBondContact O-N 2.9Å
56K93.4Very high85.4Confident39 Ų3972.3 Ų72.317%0.1738%0.381CS..Hα-helixtrans-62.5-38.3173.8-155.377.2-158.6162.20112.7L22 Y25 A52 V53 Q54 E59 L60L22-K56 HydrophobicContact CD1-CB 4.2Å; L22-K56 HydrophobicContact CD1-CG 4.36Å; Y25-K56 HydrophobicContact CD1-CB 3.8Å; Y25-K56 HydrophobicContact CD1-CD 3.92Å; Y25-K56 HydrophobicContact CD1-CG 3.67Å; Y25-K56 HydrophobicContact CD2-CD 4.04Å; Y25-K56 HydrophobicContact CE1-CB 3.81Å; Y25-K56 HydrophobicContact CE1-CD 3.99Å; Y25-K56 HydrophobicContact CE1-CG 4.03Å; Y25-K56 HydrophobicContact CE2-CD 4.12Å; Y25-K56 HydrophobicContact CG-CD 3.95Å; Y25-K56 HydrophobicContact CG-CG 3.97Å; A52-K56 PolarHBondContact O-N 3.42Å; V53-K56 WeakPolarHBondContact O-CB 3.39Å; V53-K56 PolarHBondContact O-N 2.83Å; Q54-K56 VanDerWaalsContact C-N 3.34Å; K56-E59 WeakPolarHBondContact CD-OE2 3.47Å; K56-E59 VanDerWaalsContact CE-OE2 3.3Å; K56-E59 WeakPolarHBondContact CE-OE2 3.28Å; K56-E59 IonicContact NZ-OE1 2.88Å; K56-E59 PolarHBondContact NZ-OE1 2.91Å; K56-E59 IonicContact NZ-OE2 2.7Å; K56-E59 PolarHBondContact NZ-OE2 2.89Å; K56-E59 PolarHBondContact O-N 2.85Å; K56-L60 HydrophobicContact CG-CD1 4.34Å; K56-L60 WeakPolarHBondContact O-CB 3.37Å; K56-L60 VanDerWaalsContact O-CG 3.28Å; K56-L60 WeakPolarHBondContact O-CG 3.32Å; K56-L60 PolarHBondContact O-N 2.9Å
57I93.8Very high84.2Confident2 Ų269.6 Ų69.61%0.0138%0.38CS..Hα-helixtrans-62.8-50.1173.3-68.2163.7000110.3L7 M10 V11 L22 L45 V53 Q54 M55 E59 L60 Y61L7-I57 HydrophobicContact CD2-CB 3.98Å; L7-I57 HydrophobicContact CD2-CD1 4.39Å; L7-I57 HydrophobicContact CD2-CG2 3.69Å; M10-I57 HydrophobicContact CB-CG2 3.65Å; M10-I57 HydrophobicContact SD-CG2 4.17Å; V11-I57 HydrophobicContact CG2-CB 4.41Å; V11-I57 HydrophobicContact CG2-CD1 3.61Å; V11-I57 HydrophobicContact CG2-CG1 3.73Å; V11-I57 HydrophobicContact CG2-CG2 3.77Å; L22-I57 HydrophobicContact CD1-CD1 4.45Å; L22-I57 HydrophobicContact CD1-CG1 3.68Å; L22-I57 HydrophobicContact CD2-CD1 4.32Å; L22-I57 HydrophobicContact CD2-CG1 3.74Å; L22-I57 HydrophobicContact CG-CG1 4.39Å; L45-I57 HydrophobicContact CD1-CD1 4.39Å; L45-I57 HydrophobicContact CD2-CD1 3.75Å; L45-I57 HydrophobicContact CG-CD1 4.26Å; V53-I57 HydrophobicContact CG1-CD1 4.43Å; V53-I57 WeakPolarHBondContact O-CG1 3.45Å; V53-I57 PolarHBondContact O-N 2.76Å; Q54-I57 WeakPolarHBondContact O-CB 3.41Å; Q54-I57 PolarHBondContact O-N 2.8Å; M55-I57 VanDerWaalsContact C-N 3.34Å; M55-I57 PolarHBondContact O-N 2.82Å; I57-E59 VanDerWaalsContact C-N 3.31Å; I57-E59 PolarHBondContact O-N 2.8Å; I57-L60 PolarHBondContact O-N 2.88Å; I57-Y61 VanDerWaalsContact O-CB 3.32Å; I57-Y61 WeakPolarHBondContact O-CB 3.44Å; I57-Y61 PolarHBondContact O-N 2.8Å
58K92.7Very high82.9Confident49 Ų4975.9 Ų75.921%0.21339%0.393CS..Hα-helixtrans-62.2-36178.7-68.2177.1-179.2-179.50112.2E3 L7 M10 Q54 M55 R62E3-K58 IonicContact OE1-NZ 2.63Å; E3-K58 PolarHBondContact OE1-NZ 2.87Å; L7-K58 HydrophobicContact CD2-CG 4.1Å; M10-K58 HydrophobicContact CE-CG 4.33Å; M10-K58 HydrophobicContact SD-CG 3.88Å; Q54-K58 WeakPolarHBondContact O-CG 3.45Å; Q54-K58 PolarHBondContact O-N 3.22Å; M55-K58 PolarHBondContact O-N 3.13Å; K58-R62 VanDerWaalsContact O-CB 3.28Å; K58-R62 WeakPolarHBondContact O-CB 3.37Å; K58-R62 PolarHBondContact O-N 2.98Å
59E93.9Very high81.4Confident52 Ų5281.3 Ų81.324%0.24340%0.403CS..Hα-helixtrans-64.6-51.3173.5-177.3-162.1148.300112.5M55 K56 I57 Y61 R62 R63M55-E59 WeakPolarHBondContact O-CB 3.37Å; M55-E59 PolarHBondContact O-N 2.9Å; K56-E59 WeakPolarHBondContact CD-OE2 3.47Å; K56-E59 VanDerWaalsContact CE-OE2 3.3Å; K56-E59 WeakPolarHBondContact CE-OE2 3.28Å; K56-E59 IonicContact NZ-OE1 2.88Å; K56-E59 PolarHBondContact NZ-OE1 2.91Å; K56-E59 IonicContact NZ-OE2 2.7Å; K56-E59 PolarHBondContact NZ-OE2 2.89Å; K56-E59 PolarHBondContact O-N 2.85Å; I57-E59 VanDerWaalsContact C-N 3.31Å; I57-E59 PolarHBondContact O-N 2.8Å; E59-Y61 VanDerWaalsContact C-N 3.34Å; E59-Y61 PolarHBondContact O-N 2.9Å; E59-R62 PolarHBondContact O-N 2.59Å; E59-R63 PolarHBondContact O-N 2.89Å; E59-R63 IonicContact OE1-CZ 3.46Å; E59-R63 IonicContact OE1-NH1 2.68Å; E59-R63 PolarHBondContact OE1-NH1 3.49Å; E59-R63 IonicContact OE1-NH2 3.37Å; E59-R63 PolarHBondContact OE1-NH2 3.27Å
60L93.3Very high79.2Confident13 Ų1386.7 Ų86.77%0.06843%0.434CS..Hα-helixtrans-64.1-39.2179.1-70.9169000111.6L14 V21 L22 K56 I57 R64L14-L60 HydrophobicContact CD1-CB 4.5Å; L14-L60 HydrophobicContact CD1-CD1 4.49Å; L14-L60 HydrophobicContact CD2-CB 4.15Å; V21-L60 HydrophobicContact CG1-CD1 4.49Å; V21-L60 HydrophobicContact CG1-CD2 4.23Å; L22-L60 HydrophobicContact CB-CD1 3.91Å; K56-L60 HydrophobicContact CG-CD1 4.34Å; K56-L60 WeakPolarHBondContact O-CB 3.37Å; K56-L60 VanDerWaalsContact O-CG 3.28Å; K56-L60 WeakPolarHBondContact O-CG 3.32Å; K56-L60 PolarHBondContact O-N 2.9Å; I57-L60 PolarHBondContact O-N 2.88Å; L60-R64 PolarHBondContact O-N 3.41Å
61Y92.6Very high76.5Confident66 Ų6688.2 Ų88.226%0.25945%0.445SS..Hα-helixtrans-65.2-46.6175-171.2-99.1000112M10 S13 I57 E59 R63 R64 F65M10-Y61 HydrophobicContact CB-CD2 3.68Å; M10-Y61 HydrophobicContact CB-CE2 4.26Å; M10-Y61 HydrophobicContact CB-CG 3.92Å; M10-Y61 HydrophobicContact CE-CD1 3.91Å; M10-Y61 HydrophobicContact CE-CE1 4.27Å; M10-Y61 HydrophobicContact CE-CG 4.43Å; M10-Y61 HydrophobicContact CG-CD1 3.88Å; M10-Y61 HydrophobicContact CG-CD2 3.68Å; M10-Y61 HydrophobicContact CG-CE1 4.23Å; M10-Y61 HydrophobicContact CG-CE2 4.03Å; M10-Y61 HydrophobicContact CG-CG 3.58Å; M10-Y61 HydrophobicContact SD-CD1 4.06Å; M10-Y61 HydrophobicContact SD-CG 3.98Å; S13-Y61 VanDerWaalsContact OG-CD2 3.32Å; S13-Y61 WeakPolarHBondContact OG-CD2 3.36Å; S13-Y61 WeakPolarHBondContact OG-CE2 3.32Å; I57-Y61 VanDerWaalsContact O-CB 3.32Å; I57-Y61 WeakPolarHBondContact O-CB 3.44Å; I57-Y61 PolarHBondContact O-N 2.8Å; E59-Y61 VanDerWaalsContact C-N 3.34Å; E59-Y61 PolarHBondContact O-N 2.9Å; Y61-R63 VanDerWaalsContact C-N 3.35Å; Y61-R63 PolarHBondContact O-N 2.91Å; Y61-R64 CarbonylContact O-C 3.4Å; Y61-R64 WeakPolarHBondContact O-CA 3.42Å; Y61-R64 WeakPolarHBondContact O-CB 3.45Å; Y61-R64 PolarHBondContact O-N 2.95Å; Y61-F65 HydrophobicContact CD1-CD2 4.4Å; Y61-F65 AromaticContact CD2-CD2 3.84Å; Y61-F65 HydrophobicContact CD2-CD2 3.84Å; Y61-F65 HydrophobicContact CD2-CE2 4.11Å; Y61-F65 HydrophobicContact CE1-CB 4.37Å; Y61-F65 HydrophobicContact CE1-CD2 4.04Å; Y61-F65 AromaticContact CE2-CD2 3.43Å; Y61-F65 HydrophobicContact CE2-CD2 3.43Å; Y61-F65 VanDerWaalsContact CE2-CD2 3.43Å; Y61-F65 AromaticContact CE2-CE2 3.55Å; Y61-F65 HydrophobicContact CE2-CE2 3.55Å; Y61-F65 HydrophobicContact CG-CD2 4.31Å; Y61-F65 AromaticContact CZ-CD2 3.54Å; Y61-F65 AromaticContact CZ-CE2 3.99Å; Y61-F65 PolarHBondContact O-N 2.83Å
62R91.4Very high74.1Confident136 Ų13689.7 Ų89.751%0.51345%0.454SS..Hα-helixtrans-64.6-34.3178.9-164.6-169.3-55.1107.8-0113K58 E59 R64 F65K58-R62 VanDerWaalsContact O-CB 3.28Å; K58-R62 WeakPolarHBondContact O-CB 3.37Å; K58-R62 PolarHBondContact O-N 2.98Å; E59-R62 PolarHBondContact O-N 2.59Å; R62-R64 PolarHBondContact O-N 3.11Å; R62-F65 CarbonylContact O-C 3.51Å; R62-F65 VanDerWaalsContact O-C 3.26Å; R62-F65 PolarHBondContact O-N 2.86Å
63R86.4Confident71.7Confident176 Ų17692.9 Ų92.966%0.66447%0.469SS*.Hα-helixtrans-60.4-29.7170.4-82.4-159.7-178.892.23.6112.9E59 Y61E59-R63 PolarHBondContact O-N 2.89Å; E59-R63 IonicContact OE1-CZ 3.46Å; E59-R63 IonicContact OE1-NH1 2.68Å; E59-R63 PolarHBondContact OE1-NH1 3.49Å; E59-R63 IonicContact OE1-NH2 3.37Å; E59-R63 PolarHBondContact OE1-NH2 3.27Å; Y61-R63 VanDerWaalsContact C-N 3.35Å; Y61-R63 PolarHBondContact O-N 2.91Å
64R80.7Confident68.8Low74 Ų7499.9 Ų99.928%0.27951%0.506SS..Hα-helixtrans-90.6-30.5-177.3-163.9175.3-165.9-87.41.7112.7S13 E18 L60 Y61 R62S13-R64 PolarHBondContact O-NE 3.29Å; S13-R64 PolarHBondContact O-NH1 2.91Å; S13-R64 PolarHBondContact O-NH2 2.99Å; S13-R64 VanDerWaalsContact O-NH2 3.14Å; E18-R64 IonicContact OE1-NE 2.75Å; E18-R64 VanDerWaalsContact OE2-CD 3.29Å; E18-R64 WeakPolarHBondContact OE2-CD 3.47Å; E18-R64 IonicContact OE2-NE 2.68Å; E18-R64 PolarHBondContact OE2-NE 2.97Å; L60-R64 PolarHBondContact O-N 3.41Å; Y61-R64 CarbonylContact O-C 3.4Å; Y61-R64 WeakPolarHBondContact O-CA 3.42Å; Y61-R64 WeakPolarHBondContact O-CB 3.45Å; Y61-R64 PolarHBondContact O-N 2.95Å; R62-R64 PolarHBondContact O-N 3.11Å
65F81.9Confident66.1Low90 Ų90106.5 Ų106.540%0.39554%0.542SS..SBendtrans-135.584.2178.3-56.2-74.2000110Y61 R62 T67Y61-F65 HydrophobicContact CD1-CD2 4.4Å; Y61-F65 AromaticContact CD2-CD2 3.84Å; Y61-F65 HydrophobicContact CD2-CD2 3.84Å; Y61-F65 HydrophobicContact CD2-CE2 4.11Å; Y61-F65 HydrophobicContact CE1-CB 4.37Å; Y61-F65 HydrophobicContact CE1-CD2 4.04Å; Y61-F65 AromaticContact CE2-CD2 3.43Å; Y61-F65 HydrophobicContact CE2-CD2 3.43Å; Y61-F65 VanDerWaalsContact CE2-CD2 3.43Å; Y61-F65 AromaticContact CE2-CE2 3.55Å; Y61-F65 HydrophobicContact CE2-CE2 3.55Å; Y61-F65 HydrophobicContact CG-CD2 4.31Å; Y61-F65 AromaticContact CZ-CD2 3.54Å; Y61-F65 AromaticContact CZ-CE2 3.99Å; Y61-F65 PolarHBondContact O-N 2.83Å; R62-F65 CarbonylContact O-C 3.51Å; R62-F65 VanDerWaalsContact O-C 3.26Å; R62-F65 PolarHBondContact O-N 2.86Å; F65-T67 PolarHBondContact O-N 2.83Å; F65-T67 VanDerWaalsContact O-N 3.09Å
66P71.6Confident63.1Low104 Ų104105.6 Ų105.668%0.67555%0.553SS**  trans-67.1108.4175.1-19.433.2000110K68P66-K68 PolarHBondContact O-N 2.7Å
67T54Low60.2Low115 Ų115111.9 Ų111.971%0.70659%0.588SS**PPolyproline II helixtrans-66.4124.4169.332.10000109.3F65 M69F65-T67 PolarHBondContact O-N 2.83Å; F65-T67 VanDerWaalsContact O-N 3.09Å; T67-M69 PolarHBondContact O-N 2.88Å
68K41.2Very low57.4Low205 Ų205117.1 Ų117.189%0.89162%0.622SS**PPolyproline II helixtrans-59.3119.1169.5-70.8-176.1176.2-176.20108.3P66 V70P66-K68 PolarHBondContact O-N 2.7Å; K68-V70 PolarHBondContact O-N 3.37Å
69M36.6Very low54.3Low182 Ų182121.2 Ų121.290%0.89765%0.651SS**PPolyproline II helixtrans-76.3120.3170.3-67.7-168.270.200108.9T67T67-M69 PolarHBondContact O-N 2.88Å
70V32.8Very low51.2Low132 Ų132124 Ų12480%0.867%0.671SS**PPolyproline II helixtrans-77136.7164176.70000107.5K68K68-V70 PolarHBondContact O-N 3.37Å
71S28.6Very low48Very low92 Ų92131.7 Ų131.764%0.64371%0.707SS**PPolyproline II helixtrans-71.4131.3177.9-171.10000110.5V73S71-V73 VanDerWaalsContact C-N 3.27Å; S71-V73 PolarHBondContact O-N 2.68Å
72P34.6Very low44.8Very low130 Ų130133.7 Ų133.784%0.84473%0.73SS**SBendtrans-84.563.7-179.935.6-35.9000112
73V33.4Very low41.7Very low115 Ų115131.7 Ų131.770%0.69774%0.743SS**  trans-137.991.9165.1-176.40000108.3S71S71-V73 VanDerWaalsContact C-N 3.27Å; S71-V73 PolarHBondContact O-N 2.68Å
74D30.5Very low39Very low160 Ų160128.6 Ų128.686%0.85675%0.748SS**  trans177.783.3151.1-95.2-21.4000109.9
75L34.9Very low36.5Very low185 Ų185130.4 Ų130.497%0.96977%0.772SS**  trans-14370.7167.7-88.8-178.8000110.6
76A27.3Very low34Very low100 Ų100133.9 Ų133.983%0.82679%0.794SS**  trans-144.2118.2164.100000109.4
77L31.4Very low32.7Very low171 Ų171133.9 Ų133.990%0.89579%0.794SS**  trans-92.5158.7173.1-79.6174.1000110.7
78P36.5Very low31.5Very low113 Ų113135.1 Ų135.173%0.73480%0.801SS**  trans-92.7144.3-149.434-36.7000115.4
79V27.1Very low30.9Very low135 Ų135128.9 Ų128.982%0.81880%0.795SS**  trans-137.293.3164.6-174.40000111.4
80V28Very low30.5Very low110 Ų110128.1 Ų128.167%0.66779%0.794SS**  42.3116.8121.5-176.50000120
81H27.2Very low30.5Very low175 Ų175126.7 Ų126.781%0.8180%0.796SS**  trans81.6127.9148-70.2-29.3000124.2
82S25.1Very low30.5Very low108 Ų108130.9 Ų130.976%0.75581%0.805SS**  trans82.796.7133.7-63.90000123.2
83A26.2Very low30.3Very low94 Ų94133.1 Ų133.178%0.77781%0.809SS**  66.7144.5116.100000123.7
84S28.4Very low30Very low111 Ų111130.9 Ų130.978%0.77681%0.809SS**  trans95.8140.8149.175.80000121.9
85S28.5Very low30Very low111 Ų111133 Ų13378%0.77681%0.811SS**  trans64.3112.8153.835.20000123.2
86L29.7Very low29.8Very low164 Ų164130.6 Ų130.686%0.85980%0.799SS**  trans-61.6177.9138.7-70.2163.1000110.9
87P44.5Very low29.9Very low103 Ų103128.2 Ų128.267%0.66978%0.784SS**  cis-148.2177.417.439.2-16.6000119.6
88T29Very low30Very low141 Ų141128.9 Ų128.987%0.86578%0.783SS**  trans65.2149.5144.642.70000124.3
89G28.7Very low29.6Very low74 Ų74129 Ų12976%0.76379%0.786SS**  trans129.279.1167.900000112.5
90L29.1Very low29.9Very low167 Ų167127.7 Ų127.787%0.87478%0.783SS**  74.592.956.8-155.8171.8000113.7
91A31.3Very low30.4Very low101 Ų101128.1 Ų128.184%0.83579%0.788SS**  trans-154.8155.6156.800000109.1
92Q29.6Very low30.7Very low181 Ų181125.3 Ų125.385%0.84679%0.788SS**  trans-143.8-172.4-167.8-151.9171.7-19.200110.9
93L30.6Very low31.3Very low177 Ų177126 Ų12693%0.92779%0.79SS**  trans85.7135.1179.7-48170.8000115.2
94G27.1Very low31.7Very low68 Ų68129.5 Ų129.570%0.70180%0.795SS**  cis156.8137.3-15.100000114.7
95F30.7Very low32Very low204 Ų204131.7 Ų131.790%0.89580%0.797SS**  trans63152.4171.3-87.1-123.4000116.9
96D29.3Very low32.2Very low134 Ų134132 Ų13272%0.71780%0.796SS**  cis-167.9175.9-28.9-148.435000107.7
97G29.7Very low32.5Very low50 Ų50130.4 Ų130.452%0.51579%0.793SS.*  cis171.5145.5-4.800000112.4
98H34.1Very low31.8Very low185 Ų185130.6 Ų130.686%0.85680%0.797SS**  trans62.5153.8171.4-52.7-74.4000118
99S28.8Very low32Very low115 Ų115131.9 Ų131.980%0.80480%0.798SS**  cis-144.7163.4-9.358.30000107.4
100S33.3Very low32.2Very low109 Ų109136.9 Ų136.976%0.76281%0.806SS**  cis-161.7157.135.8-177.50000110.2
101P37.1Very low32.1Very low118 Ų118132 Ų13277%0.76680%0.796SS**  trans-101.7154.1-167.437.9-34.4000116.5
102S33.4Very low32.2Very low117 Ų117133.4 Ų133.482%0.81880%0.797SS**  trans-113.9135.6159.6-72.50000109.9
103P38Very low32.3Very low122 Ų122134.3 Ų134.379%0.79280%0.798SS**  trans-86.2122.6-170.432.2-34.1000113.5
104L35.3Very low32.2Very low168 Ų168134.9 Ų134.988%0.8880%0.795SS**  trans-125.5124.1154.9-71177.3000108P106L104-P106 WeakPolarHBondContact O-CD 3.38Å
105L34.1Very low32.6Very low157 Ų157139.8 Ų139.882%0.82280%0.8SS**  trans-85120.1-172.6-66.8170.5000111.6V107L105-V107 PolarHBondContact O-N 3.33Å
106P33.8Very low32.6Very low117 Ų117138.4 Ų138.476%0.7680%0.801SS**  trans-83.697.3163.332.7-29.5000109.2L104 S108L104-P106 WeakPolarHBondContact O-CD 3.38Å; P106-S108 PolarHBondContact O-N 2.98Å
107V34.4Very low32.5Very low131 Ų131137.8 Ų137.879%0.79481%0.807SS**  trans-72.5109.4169.7177.20000108.5L105L105-V107 PolarHBondContact O-N 3.33Å
108S31.5Very low32.6Very low106 Ų106143.5 Ų143.574%0.74183%0.825SS**  trans-146.6103.7173.2-75.80000109.8P106P106-S108 PolarHBondContact O-N 2.98Å
109L32.9Very low32.7Very low169 Ų169140.2 Ų140.289%0.88582%0.82SS**  trans-128.4123.5175.2-107.4166000107.8
110L31.5Very low32.8Very low178 Ų178143.3 Ų143.393%0.93282%0.822SS**  trans-77.7134.1176.9-84.178.8000110.6
111G27.4Very low32.6Very low65 Ų65146.5 Ų146.567%0.6783%0.829SS**  trans-145.6140.2165.800000108.7
112P34.7Very low32.3Very low131 Ų131146.1 Ų146.185%0.85183%0.83SS**  trans-83142.8-160.530.9-35.7000115.1
113K30.5Very low32.3Very low199 Ų199146 Ų14687%0.86583%0.829SS**  trans-0.4123158.2-61.5-179.8175.7-1740117.9
114H29.4Very low32.3Very low189 Ų189144.2 Ų144.288%0.87582%0.824SS**  -137.1141.2125.8-150-78.1000109.5
115E34.3Very low32.7Very low172 Ų172142.9 Ų142.980%0.80482%0.817SS**  trans-85.2131.5-177.1-63.3-176.7133.200111.6
116L31.9Very low33.3Very low175 Ų175142.9 Ų142.992%0.91681%0.813SS**  trans-142.7137146.9-79.6-177.1000107.9
117S27.4Very low34.4Very low121 Ų121141.1 Ų141.185%0.84680%0.801SS**  trans-93.5131.5-164.441.40000113.7
118L30.8Very low36Very low169 Ų169139.1 Ų139.189%0.88579%0.789SS**  trans-131.4129.3166.2-80.6169.1000108.9
119P36.8Very low38Very low117 Ų117139 Ų13976%0.7678%0.777SS**  trans-79.9133.6-173.530.4-34.1000112.9
120H30.2Very low39.8Very low180 Ų180132.4 Ų132.483%0.83374%0.744SS**  trans41.688.1162.5-80-75.1000118.2
121L30.2Very low42.3Very low175 Ų175130.5 Ų130.592%0.91673%0.734SS**PPolyproline II helixtrans-77124.1140.1-76.3168.8000108.7
122S29.9Very low45.4Very low111 Ų111127.6 Ų127.678%0.77670%0.704SS**PPolyproline II helixtrans-66152.1175.2-65.30000111.7
123S32.4Very low48.2Very low114 Ų114128.3 Ų128.380%0.79769%0.693SS**PPolyproline II helixtrans-53.7145.1-178.1-69.60000112.9L125S123-L125 PolarHBondContact O-N 3.03Å
124A38.9Very low51.3Low85 Ų85119.6 Ų119.670%0.70266%0.656SS**  trans-62.291-172.700000113.7H126A124-H126 PolarHBondContact O-N 3.41Å; A124-H126 PolarHBondContact O-ND1 3.38Å
125L43.6Very low54.5Low139 Ų139113.9 Ų113.973%0.72863%0.63SS**  trans-64.3101.9160.7-66.8177.9000108S123 V153S123-L125 PolarHBondContact O-N 3.03Å; L125-V153 HydrophobicContact CD1-CG1 3.89Å
126H46.2Very low57.4Low157 Ų157115.7 Ų115.773%0.72763%0.629SS**  trans-60143.3175-72.756.3000109.1A124 V128A124-H126 PolarHBondContact O-N 3.41Å; A124-H126 PolarHBondContact O-ND1 3.38Å; H126-V128 PolarHBondContact O-N 3.49Å
127P57.2Low60.5Low81 Ų81109.2 Ų109.253%0.52660%0.595SS.*  trans-54.1108.7178.5-27.836000111.3H129 T150P127-H129 PolarHBondContact O-CD2 3.47Å; P127-H129 PolarHBondContact O-N 3.41Å; P127-H129 VanDerWaalsContact O-N 3.1Å; P127-T150 HydrophobicContact CB-CG2 3.91Å
128V69Low63.8Low88 Ų88104.3 Ų104.353%0.53356%0.561SS.*  trans-72.3109172.61800000106.7H126 P130 S151H126-V128 PolarHBondContact O-N 3.49Å; V128-P130 WeakPolarHBondContact O-CD 3.47Å; V128-S151 PolarHBondContact O-N 3.33Å; V128-S151 PolarHBondContact O-OG 2.89Å
129H72.3Confident67Low105 Ų10597 Ų9749%0.48652%0.522SS..  trans-89.796.8168.7-63-63.2000108.4P127 P149 T150P127-H129 PolarHBondContact O-CD2 3.47Å; P127-H129 PolarHBondContact O-N 3.41Å; P127-H129 VanDerWaalsContact O-N 3.1Å; H129-P149 WeakPolarHBondContact CA-O 3.48Å; H129-P149 PolarHBondContact ND1-O 2.86Å; H129-P149 VanDerWaalsContact ND1-O 3.08Å; H129-T150 PolarHBondContact CE1-OG1 2.97Å; H129-T150 PolarHBondContact ND1-OG1 3.32Å; H129-T150 VanDerWaalsContact ND1-OG1 3.13Å
130P71.4Confident69.9Low29 Ų2994.2 Ų94.219%0.18850%0.497CS..  trans-73.1157.217134.9-37.3000109.6V128 V132V128-P130 WeakPolarHBondContact O-CD 3.47Å; P130-V132 HydrophobicContact CB-CG2 3.84Å; P130-V132 HydrophobicContact CG-CB 4.11Å; P130-V132 HydrophobicContact CG-CG2 3.57Å; P130-V132 PolarHBondContact O-N 2.96Å
131D84.6Confident73.1Confident138 Ų13887.9 Ų87.974%0.73847%0.469SS*.SBendtrans-70.228.9175-64.7-62.5000114.2T203D131-T203 HydrophobicContact CB-CG2 4.34Å
132V91.8Very high76.4Confident4 Ų483.4 Ų83.42%0.02445%0.449CS..  trans-68.4132.5175.2174.30000108.6P130 P149 T203 Q207P130-V132 HydrophobicContact CB-CG2 3.84Å; P130-V132 HydrophobicContact CG-CB 4.11Å; P130-V132 HydrophobicContact CG-CG2 3.57Å; P130-V132 PolarHBondContact O-N 2.96Å; V132-P149 HydrophobicContact CB-CB 4.4Å; V132-P149 WeakPolarHBondContact O-CB 3.47Å; V132-P149 WeakPolarHBondContact O-CG 3.3Å; V132-T203 HydrophobicContact CG2-CG2 3.89Å; V132-Q207 HydrophobicContact CG1-CG 3.98Å
133K93.8Very high79.6Confident146 Ų14681.5 Ų81.564%0.63543%0.429SS*.  trans-121.7128.3175.8-64.6174.3-174.21740107.7P206 Q207K133-P206 CarbonylContact O-C 3.59Å; K133-P206 WeakPolarHBondContact O-CA 3.14Å; K133-Q207 PolarHBondContact O-N 2.96Å
134L95.8Very high82.7Confident17 Ų1779.4 Ų79.49%0.08941%0.409CS..BIsolated β-bridgetrans-78.5145.2174.1-71.488.1000109.9R136 P149 R197 C199 A277 Y279L134-R136 PolarHBondContact O-N 3.11Å; L134-P149 HydrophobicContact CD1-CG 4.09Å; L134-R197 HydrophobicContact CD2-CB 3.45Å; L134-R197 VanDerWaalsContact CD2-CB 3.45Å; L134-R197 HydrophobicContact CD2-CG 4.33Å; L134-C199 HydrophobicContact CD2-CB 4.15Å; L134-C199 HydrophobicContact CG-CB 4.14Å; L134-A277 HydrophobicContact CD1-CB 4.05Å; L134-Y279 HydrophobicContact CD1-CE2 4.47Å
135Q95.5Very high85.5Confident68 Ų6879.5 Ų79.532%0.31840%0.395SS..PPolyproline II helixtrans-61136.2173.7-176.2173-1500109.7R197 P206 Q207Q135-R197 PolarHBondContact O-NH1 2.89Å; Q135-R197 PolarHBondContact O-NH2 3.5Å; Q135-P206 HydrophobicContact CB-CB 4.44Å; Q135-Q207 WeakPolarHBondContact CB-O 3.12Å; Q135-Q207 PolarHBondContact N-O 3.29Å
136R95.6Very high88.1Confident210 Ų21074.1 Ų74.179%0.79237%0.367SS*.PPolyproline II helixtrans-62.9146176.2-70-178.3174.7172.2-2.8110.3L134L134-R136 PolarHBondContact O-N 3.11Å
137L97Very high90.5Very high39 Ų3967.4 Ų67.420%0.20434%0.337CS..  trans-107.8118.9179.2-64.6171.5000107.9F139 Y140 P245L137-F139 PolarHBondContact O-N 3.06Å; L137-Y140 HydrophobicContact CB-CD2 3.85Å; L137-Y140 HydrophobicContact CD1-CD2 4.08Å; L137-Y140 PolarHBondContact O-N 3.26Å; L137-P245 HydrophobicContact CD1-CB 3.89Å; L137-P245 HydrophobicContact CD1-CG 3.69Å
138P97.3Very high92.4Very high18 Ų1869.3 Ų69.312%0.11734%0.337CS..THydrogen-bonded Turntrans-57.1-31.5-170-30.736.9000115.3Y140 L289 W368 Y379P138-Y140 VanDerWaalsContact C-N 3.35Å; P138-L289 HydrophobicContact CB-CD2 3.66Å; P138-L289 WeakPolarHBondContact O-CD1 3.2Å; P138-W368 HydrophobicContact CB-CH2 4.29Å; P138-W368 HydrophobicContact CB-CZ2 3.86Å; P138-W368 HydrophobicContact CG-CH2 4.42Å; P138-W368 HydrophobicContact CG-CZ2 3.76Å; P138-Y379 HydrophobicContact CB-CD1 3.92Å; P138-Y379 HydrophobicContact CB-CG 3.78Å; P138-Y379 VanDerWaalsContact CG-CB 3.41Å; P138-Y379 HydrophobicContact CG-CD1 4.29Å; P138-Y379 HydrophobicContact CG-CG 4.08Å
139F97.7Very high93.7Very high16 Ų1665.8 Ų65.87%0.0732%0.315CS..THydrogen-bonded Turntrans-877.7178.8-65.5-75.6000114.4L137 Q283 Q284 L289 I359 N362 E363 W368L137-F139 PolarHBondContact O-N 3.06Å; F139-Q283 CarbonylContact O-C 3.56Å; F139-Q283 WeakPolarHBondContact O-CA 3.36Å; F139-Q284 WeakPolarHBondContact CD1-O 3.47Å; F139-Q284 PolarHBondContact O-N 2.99Å; F139-L289 HydrophobicContact CD1-CD1 3.74Å; F139-L289 HydrophobicContact CD1-CD2 3.68Å; F139-L289 HydrophobicContact CD1-CG 4.33Å; F139-L289 HydrophobicContact CD2-CD2 4.34Å; F139-L289 HydrophobicContact CE1-CD1 4.09Å; F139-L289 HydrophobicContact CE1-CD2 3.54Å; F139-L289 HydrophobicContact CE1-CG 4.31Å; F139-L289 HydrophobicContact CE2-CD2 4.21Å; F139-L289 HydrophobicContact CG-CD2 4.08Å; F139-L289 HydrophobicContact CZ-CD2 3.8Å; F139-I359 HydrophobicContact CE1-CG2 4.06Å; F139-I359 HydrophobicContact CZ-CG2 3.94Å; F139-I359 WeakPolarHBondContact CZ-O 3.48Å; F139-N362 VanDerWaalsContact CE2-C 3.46Å; F139-N362 HydrophobicContact CE2-CB 4.08Å; F139-N362 WeakPolarHBondContact CE2-O 3.47Å; F139-N362 HydrophobicContact CZ-CB 4.33Å; F139-E363 HydrophobicContact CD1-CB 4.42Å; F139-E363 HydrophobicContact CD1-CG 4.42Å; F139-E363 HydrophobicContact CE1-CB 3.62Å; F139-E363 HydrophobicContact CE1-CG 4Å; F139-E363 HydrophobicContact CE2-CB 4.38Å; F139-E363 HydrophobicContact CZ-CB 3.62Å; F139-E363 HydrophobicContact CZ-CG 4.46Å; F139-E363 VanDerWaalsContact CZ-N 3.27Å; F139-W368 HydrophobicContact CD2-CZ2 4Å; F139-W368 AromaticContact CE2-CH2 3.82Å; F139-W368 HydrophobicContact CE2-CH2 3.82Å; F139-W368 AromaticContact CE2-CZ2 3.42Å; F139-W368 HydrophobicContact CE2-CZ2 3.42Å; F139-W368 VanDerWaalsContact CE2-CZ2 3.42Å; F139-W368 HydrophobicContact CZ-CH2 4.18Å; F139-W368 HydrophobicContact CZ-CZ2 4.23Å
140Y97.8Very high94.8Very high58 Ų5860.9 Ų60.923%0.22729%0.293CS..EExtended strand (participates in β ladder)trans-138.2111.8-179.2-62.1-85.4000111.6L137 P138 Q195 V281 R282 Q283L137-Y140 HydrophobicContact CB-CD2 3.85Å; L137-Y140 HydrophobicContact CD1-CD2 4.08Å; L137-Y140 PolarHBondContact O-N 3.26Å; P138-Y140 VanDerWaalsContact C-N 3.35Å; Y140-Q195 VanDerWaalsContact CD1-NE2 3.25Å; Y140-Q195 VanDerWaalsContact CE1-NE2 3.34Å; Y140-V281 HydrophobicContact CD1-CB 4.28Å; Y140-V281 HydrophobicContact CD1-CG2 3.68Å; Y140-V281 HydrophobicContact CE1-CG2 4.4Å; Y140-V281 HydrophobicContact CG-CG2 4.48Å; Y140-R282 WeakPolarHBondContact CA-O 3.48Å; Y140-Q283 HydrophobicContact CD1-CB 4.11Å; Y140-Q283 HydrophobicContact CD1-CG 4.42Å; Y140-Q283 HydrophobicContact CE1-CB 3.88Å; Y140-Q283 HydrophobicContact CE1-CG 3.92Å
141D97.8Very high95.9Very high48 Ų4860.6 Ų60.626%0.25729%0.291SS..EExtended strand (participates in β ladder)trans-79.1127.2166.9-63.2-29.7000108.9L143 V281 R282 Q284 R292D141-L143 PolarHBondContact O-N 3.46Å; D141-V281 CarbonylContact O-C 3.58Å; D141-V281 WeakPolarHBondContact O-CA 3.27Å; D141-V281 WeakPolarHBondContact O-CB 3.41Å; D141-R282 HydrophobicContact CB-CB 4.47Å; D141-R282 PolarHBondContact N-O 3.3Å; D141-R282 PolarHBondContact O-N 2.86Å; D141-Q284 PolarHBondContact OD2-NE2 3.01Å; D141-R292 IonicContact OD1-CZ 2.82Å; D141-R292 IonicContact OD1-NH1 3.72Å; D141-R292 PolarHBondContact OD1-NH1 3.13Å; D141-R292 IonicContact OD1-NH2 3.2Å; D141-R292 PolarHBondContact OD1-NH2 2.87Å; D141-R292 IonicContact OD2-CZ 2.96Å; D141-R292 IonicContact OD2-NH1 3.75Å; D141-R292 IonicContact OD2-NH2 2.71Å; D141-R292 PolarHBondContact OD2-NH2 3.14Å
142V98.2Very high96.3Very high80 Ų8054.3 Ų54.349%0.48526%0.258SS..EExtended strand (participates in β ladder)trans-75.3122.2171.3-179.50000108.6Y279 V281V142-Y279 HydrophobicContact CG1-CD1 3.71Å; V142-Y279 HydrophobicContact CG1-CE1 4.41Å; V142-Y279 HydrophobicContact CG1-CG 4.44Å; V142-Y279 HydrophobicContact CG2-CD1 4.35Å; V142-V281 HydrophobicContact CG2-CG1 4.37Å
143L98.1Very high95.9Very high71 Ų7157.2 Ų57.237%0.37228%0.275SS..EExtended strand (participates in β ladder)trans-93.2-37.8174-53.2-175.6000111.3D141 V192 L280 R282D141-L143 PolarHBondContact O-N 3.46Å; L143-V192 HydrophobicContact CD1-CG1 3.81Å; L143-V192 HydrophobicContact CD1-CG2 4.23Å; L143-L280 HydrophobicContact CB-CB 4.42Å; L143-L280 HydrophobicContact CB-CD2 4.28Å; L143-L280 HydrophobicContact CB-CG 4.22Å; L143-L280 HydrophobicContact CD1-CD2 4.41Å; L143-L280 HydrophobicContact CD1-CG 4.3Å; L143-L280 PolarHBondContact N-O 2.98Å; L143-R282 HydrophobicContact CD1-CB 4.26Å; L143-R282 HydrophobicContact CD2-CB 4.15Å; L143-R282 HydrophobicContact CG-CB 4.34Å
144D98.1Very high95.1Very high71 Ų7152.1 Ų52.138%0.3826%0.258SS..EExtended strand (participates in β ladder)trans-157.9158.1-177.6-150.4-19000112.9Q173 Y279 L280D144-Q173 PolarHBondContact OD2-NE2 2.86Å; D144-Y279 WeakPolarHBondContact O-CA 3.39Å; D144-L280 HydrophobicContact CB-CB 3.94Å; D144-L280 HydrophobicContact CB-CD2 4.45Å; D144-L280 PolarHBondContact N-O 2.89Å; D144-L280 PolarHBondContact O-N 3.34Å
145E97.1Very high94.1Very high86 Ų8655.4 Ų55.440%0.40228%0.276SS..EExtended strand (participates in β ladder)trans-104.675.2177.4-59-158.2130.100111.4I147 K148 Y279E145-I147 VanDerWaalsContact C-N 3.25Å; E145-I147 PolarHBondContact O-N 2.93Å; E145-K148 HydrophobicContact CB-CG 4.3Å; E145-Y279 HydrophobicContact CB-CE1 4.49Å; E145-Y279 HydrophobicContact CG-CD1 4.11Å; E145-Y279 HydrophobicContact CG-CE1 3.85Å; E145-Y279 WeakPolarHBondContact OE1-CE1 3.37Å
146L97.9Very high92.9Very high26 Ų2659.8 Ų59.814%0.13630%0.301CS..EExtended strand (participates in β ladder)trans-56.9-35-178.1-58.8177.5000113.7F167 L169 V194 V278 L280L146-F167 HydrophobicContact CB-CD2 4.13Å; L146-F167 HydrophobicContact CB-CG 4.49Å; L146-F167 HydrophobicContact CD1-CD2 4.09Å; L146-F167 HydrophobicContact CD1-CE2 3.96Å; L146-L169 HydrophobicContact CD1-CD2 3.89Å; L146-L169 HydrophobicContact CD2-CD2 4.09Å; L146-V194 HydrophobicContact CD1-CG1 4.02Å; L146-V194 HydrophobicContact CD1-CG2 4.17Å; L146-V278 HydrophobicContact CB-CB 4.36Å; L146-V278 HydrophobicContact CB-CG1 4.11Å; L146-V278 HydrophobicContact CD1-CG1 4.29Å; L146-V278 PolarHBondContact N-O 3.13Å; L146-L280 HydrophobicContact CD1-CB 4.09Å; L146-L280 HydrophobicContact CD2-CB 4.48Å; L146-L280 HydrophobicContact CG-CB 4.16Å
147I97.3Very high91.8Very high17 Ų1753.7 Ų53.79%0.08729%0.291CS..EExtended strand (participates in β ladder)trans-138.3114.9163.7-56.3-176.2000107.6E145 F167 M276 A277 V278E145-I147 VanDerWaalsContact C-N 3.25Å; E145-I147 PolarHBondContact O-N 2.93Å; I147-F167 HydrophobicContact CD1-CB 4.14Å; I147-F167 HydrophobicContact CD1-CD1 4.08Å; I147-F167 HydrophobicContact CG1-CB 3.87Å; I147-F167 HydrophobicContact CG1-CD1 4.46Å; I147-F167 HydrophobicContact CG1-CG 4.45Å; I147-M276 HydrophobicContact CD1-CE 3.84Å; I147-M276 HydrophobicContact CG2-CE 4.13Å; I147-A277 CarbonylContact O-C 3.58Å; I147-A277 WeakPolarHBondContact O-CA 3.34Å; I147-V278 HydrophobicContact CB-CB 3.88Å; I147-V278 HydrophobicContact CB-CG2 3.97Å; I147-V278 HydrophobicContact CD1-CB 4.41Å; I147-V278 HydrophobicContact CD1-CG2 3.87Å; I147-V278 HydrophobicContact CG1-CB 4.03Å; I147-V278 HydrophobicContact CG1-CG2 4.02Å; I147-V278 PolarHBondContact N-O 3.07Å; I147-V278 PolarHBondContact O-N 3.35Å
148K95.8Very high91Very high121 Ų12158 Ų5853%0.52631%0.31SS..EExtended strand (participates in β ladder)trans-58.3157174-67-171.2173.1-179.10112E145 T150E145-K148 HydrophobicContact CB-CG 4.3Å; K148-T150 PolarHBondContact O-N 3.29Å; K148-T150 PolarHBondContact O-OG1 2.71Å
149P96.2Very high90.5Very high13 Ų1366 Ų668%0.08434%0.338CS..EExtended strand (participates in β ladder)trans-42.8116.6169.1-31.738000111.9H129 V132 L134 M276 A277H129-P149 WeakPolarHBondContact CA-O 3.48Å; H129-P149 PolarHBondContact ND1-O 2.86Å; H129-P149 VanDerWaalsContact ND1-O 3.08Å; V132-P149 HydrophobicContact CB-CB 4.4Å; V132-P149 WeakPolarHBondContact O-CB 3.47Å; V132-P149 WeakPolarHBondContact O-CG 3.3Å; L134-P149 HydrophobicContact CD1-CG 4.09Å; P149-M276 WeakPolarHBondContact CA-O 3.31Å; P149-A277 HydrophobicContact CG-CB 4.22Å
150T95.7Very high90.1Very high3 Ų370.3 Ų70.32%0.01836%0.357CS..EExtended strand (participates in β ladder)trans-134.6130.5-171.3-59.90000108.8P127 H129 K148 L152 Y165 S275 M276P127-T150 HydrophobicContact CB-CG2 3.91Å; H129-T150 PolarHBondContact CE1-OG1 2.97Å; H129-T150 PolarHBondContact ND1-OG1 3.32Å; H129-T150 VanDerWaalsContact ND1-OG1 3.13Å; K148-T150 PolarHBondContact O-N 3.29Å; K148-T150 PolarHBondContact O-OG1 2.71Å; T150-L152 PolarHBondContact O-N 2.99Å; T150-Y165 HydrophobicContact CG2-CD1 4.49Å; T150-Y165 HydrophobicContact CG2-CE1 3.82Å; T150-S275 CarbonylContact O-C 3.54Å; T150-S275 WeakPolarHBondContact O-CA 3.24Å; T150-S275 WeakPolarHBondContact O-CB 3.45Å; T150-M276 PolarHBondContact N-O 2.96Å; T150-M276 PolarHBondContact O-N 3.35Å
151S94.3Very high89.9Confident22 Ų2268.4 Ų68.415%0.15435%0.35CS..EExtended strand (participates in β ladder)trans-62.2132.6179-630000112.2V128 V153 Y165V128-S151 PolarHBondContact O-N 3.33Å; V128-S151 PolarHBondContact O-OG 2.89Å; S151-V153 PolarHBondContact O-N 3.47Å; S151-Y165 PolarHBondContact O-OH 3.32Å
152L93.2Very high89.8Confident7 Ų771.2 Ų71.24%0.03736%0.361CS..EExtended strand (participates in β ladder)trans-75.498.2162.2-60.8-170.1000107.3T150 S154 Y165 F198 P212 V264 W266 F274 M276T150-L152 PolarHBondContact O-N 2.99Å; L152-S154 PolarHBondContact O-N 2.71Å; L152-Y165 HydrophobicContact CD2-CE2 4Å; L152-Y165 VanDerWaalsContact CD2-OH 3.29Å; L152-Y165 WeakPolarHBondContact CD2-OH 3.28Å; L152-F198 HydrophobicContact CD1-CD1 4.07Å; L152-F198 HydrophobicContact CD1-CE1 4.13Å; L152-P212 HydrophobicContact CD1-CG 3.6Å; L152-V264 HydrophobicContact CD1-CG1 4.4Å; L152-V264 HydrophobicContact CD2-CG1 4.48Å; L152-W266 HydrophobicContact CB-CH2 3.92Å; L152-W266 HydrophobicContact CB-CZ2 3.63Å; L152-W266 HydrophobicContact CB-CZ3 4.46Å; L152-W266 HydrophobicContact CD1-CD2 4.24Å; L152-W266 HydrophobicContact CD1-CE3 4.39Å; L152-F274 HydrophobicContact CB-CB 4.37Å; L152-F274 WeakPolarHBondContact CB-O 3.16Å; L152-F274 HydrophobicContact CD1-CB 3.96Å; L152-F274 HydrophobicContact CG-CB 4.32Å; L152-F274 PolarHBondContact N-O 2.92Å; L152-M276 HydrophobicContact CD2-CB 4.05Å; L152-M276 HydrophobicContact CD2-CG 3.82Å; L152-M276 HydrophobicContact CD2-SD 4.28Å
153V84.4Confident89.6Confident65 Ų6568.3 Ų68.339%0.39435%0.346SS..  trans-71.4115.1-177.4179.50000109.4L125 S151 W266L125-V153 HydrophobicContact CD1-CG1 3.89Å; S151-V153 PolarHBondContact O-N 3.47Å; V153-W266 WeakPolarHBondContact O-CZ2 3.45Å
154S76.7Confident89.5Confident38 Ų3869.3 Ų69.327%0.26636%0.358SS..  trans-92.3124.2169.8-67.60000110.9L152 S268L152-S154 PolarHBondContact O-N 2.71Å; S154-S268 VanDerWaalsContact CB-OG 3.28Å; S154-S268 WeakPolarHBondContact CB-OG 3.38Å; S154-S268 PolarHBondContact OG-OG 3.2Å
155D75.4Confident89.5Confident86 Ų8667.4 Ų67.446%0.4635%0.345SS..  trans-72.5135.5158.7-176.32.6000109.9S157 Q161D155-S157 PolarHBondContact O-N 2.94Å; D155-S157 PolarHBondContact OD1-N 2.83Å; D155-S157 WeakPolarHBondContact OD2-CB 3.4Å; D155-S157 PolarHBondContact OD2-OG 2.81Å; D155-Q161 PolarHBondContact O-NE2 2.71Å
156N68.6Low89.5Confident161 Ų16166.4 Ų66.486%0.86135%0.352SS*.THydrogen-bonded Turntrans-72.9-9.9174.7-69.9-62.5000113.2
157S73.6Confident89.5Confident82 Ų8265.7 Ų65.757%0.57335%0.348SS*.THydrogen-bonded Turntrans-75-25.3179.482.20000114.4D155D155-S157 PolarHBondContact O-N 2.94Å; D155-S157 PolarHBondContact OD1-N 2.83Å; D155-S157 WeakPolarHBondContact OD2-CB 3.4Å; D155-S157 PolarHBondContact OD2-OG 2.81Å
158Q80.4Confident89.6Confident129 Ų12967.9 Ų67.960%0.60337%0.369SS*.  trans-129.7141.2-174.6-63.1-171.833.100113F160 Q161Q158-F160 WeakPolarHBondContact CB-O 3.42Å; Q158-Q161 PolarHBondContact O-NE2 2.64Å
159R85.8Confident89.7Confident186 Ų18662.3 Ų62.370%0.70235%0.345SS*.SBendtrans-71-40.6176.2-179.1178.2179-147.3-3112.2T267 S268R159-T267 HydrophobicContact CG-CG2 3.94Å; R159-T267 WeakPolarHBondContact O-CA 3.43Å; R159-S268 PolarHBondContact O-N 2.87Å
160F90.8Very high89.8Confident106 Ų10664.7 Ų64.747%0.46536%0.359SS..EExtended strand (participates in β ladder)trans-90.9142.1174.6-163.9-99.9000108.9Q158 S265 W266Q158-F160 WeakPolarHBondContact CB-O 3.42Å; F160-S265 VanDerWaalsContact CZ-CB 3.42Å; F160-W266 WeakPolarHBondContact CA-O 3.48Å
161Q93.8Very high89.9Confident18 Ų1869 Ų698%0.08439%0.387CS..EExtended strand (participates in β ladder)trans-130.7145-175.4-65.9-64.8-48.300108.7D155 Q158 S265 W266D155-Q161 PolarHBondContact O-NE2 2.71Å; Q158-Q161 PolarHBondContact O-NE2 2.64Å; Q161-S265 CarbonylContact O-C 3.59Å; Q161-S265 WeakPolarHBondContact O-CA 3.2Å; Q161-W266 HydrophobicContact CB-CD2 3.76Å; Q161-W266 VanDerWaalsContact CB-CE2 3.45Å; Q161-W266 HydrophobicContact CB-CE3 4.09Å; Q161-W266 HydrophobicContact CB-CG 4.36Å; Q161-W266 HydrophobicContact CB-CH2 3.85Å; Q161-W266 HydrophobicContact CB-CZ2 3.5Å; Q161-W266 HydrophobicContact CB-CZ3 4.14Å; Q161-W266 HydrophobicContact CG-CZ2 4.14Å; Q161-W266 PolarHBondContact N-O 2.83Å; Q161-W266 PolarHBondContact O-N 2.88Å
162E94.3Very high90.1Very high107 Ų10774 Ų7450%0.541%0.408SS..EExtended strand (participates in β ladder)trans-140.7135173-174.2160.798.100109.6K218 V263 V264 S265E162-K218 IonicContact OE2-NZ 3.54Å; E162-V263 HydrophobicContact CG-CG1 3.42Å; E162-V263 VanDerWaalsContact CG-CG1 3.42Å; E162-V264 CarbonylContact C-O 3.58Å; E162-V264 WeakPolarHBondContact CA-O 3.46Å; E162-S265 WeakPolarHBondContact OE2-CB 3.45Å; E162-S265 PolarHBondContact OE2-OG 3.16Å
163A94.9Very high90.3Very high20 Ų2074.1 Ų74.117%0.16541%0.408CS..EExtended strand (participates in β ladder)trans-135.8143.8177.700000110.4Y165 V263 V264 W266A163-Y165 HydrophobicContact CB-CE2 3.59Å; A163-V263 WeakPolarHBondContact O-CA 3.41Å; A163-V264 PolarHBondContact N-O 3.5Å; A163-V264 PolarHBondContact O-N 2.63Å; A163-W266 HydrophobicContact CB-CH2 3.83Å; A163-W266 HydrophobicContact CB-CZ3 3.76Å
164C96.4Very high90.9Very high91 Ų9172.2 Ų72.262%0.61540%0.397SS*.EExtended strand (participates in β ladder)trans-111.6132179.6-170.20000109.9I262 V263C164-I262 WeakPolarHBondContact CA-O 3.42Å; C164-V263 HydrophobicContact CB-CG2 4.47Å
165Y97.4Very high91.9Very high31 Ų3176.7 Ų76.712%0.12241%0.414CS..EExtended strand (participates in β ladder)trans-126.4152.1179.7-57.7-87.6000109.3T150 S151 L152 A163 T261 I262 V264 M276T150-Y165 HydrophobicContact CG2-CD1 4.49Å; T150-Y165 HydrophobicContact CG2-CE1 3.82Å; S151-Y165 PolarHBondContact O-OH 3.32Å; L152-Y165 HydrophobicContact CD2-CE2 4Å; L152-Y165 VanDerWaalsContact CD2-OH 3.29Å; L152-Y165 WeakPolarHBondContact CD2-OH 3.28Å; A163-Y165 HydrophobicContact CB-CE2 3.59Å; Y165-T261 CarbonylContact O-C 3.59Å; Y165-T261 WeakPolarHBondContact O-CA 3.38Å; Y165-I262 PolarHBondContact N-O 3.18Å; Y165-I262 PolarHBondContact O-N 3.23Å; Y165-V264 HydrophobicContact CD2-CG2 4.2Å; Y165-V264 HydrophobicContact CE2-CB 4.46Å; Y165-V264 HydrophobicContact CE2-CG2 4.24Å; Y165-M276 HydrophobicContact CD1-CE 3.81Å; Y165-M276 HydrophobicContact CD1-SD 4.39Å; Y165-M276 HydrophobicContact CD2-CE 3.63Å; Y165-M276 HydrophobicContact CD2-SD 3.49Å; Y165-M276 WeakPolarHBondContact CD2-SD 3.38Å; Y165-M276 HydrophobicContact CE1-CE 4.4Å; Y165-M276 HydrophobicContact CE1-SD 4.49Å; Y165-M276 HydrophobicContact CE2-CE 4.23Å; Y165-M276 HydrophobicContact CE2-CG 4.43Å; Y165-M276 HydrophobicContact CE2-SD 3.62Å; Y165-M276 HydrophobicContact CG-CE 3.39Å; Y165-M276 HydrophobicContact CG-SD 3.91Å
166A97.3Very high92.9Very high66 Ų6675.4 Ų75.455%0.54541%0.405SS..EExtended strand (participates in β ladder)trans-137.9149.2178.400000111.7N260 T261A166-N260 VanDerWaalsContact CA-O 3.23Å; A166-N260 WeakPolarHBondContact CA-O 3.29Å; A166-T261 HydrophobicContact CB-CG2 4.41Å
167F98.1Very high94.2Very high10 Ų1067.8 Ų67.84%0.04436%0.364CS..EExtended strand (participates in β ladder)trans-145152.8171.768.4-80.6000110.4L146 I147 L169 V194 V252 N260 I262 V278L146-F167 HydrophobicContact CB-CD2 4.13Å; L146-F167 HydrophobicContact CB-CG 4.49Å; L146-F167 HydrophobicContact CD1-CD2 4.09Å; L146-F167 HydrophobicContact CD1-CE2 3.96Å; I147-F167 HydrophobicContact CD1-CB 4.14Å; I147-F167 HydrophobicContact CD1-CD1 4.08Å; I147-F167 HydrophobicContact CG1-CB 3.87Å; I147-F167 HydrophobicContact CG1-CD1 4.46Å; I147-F167 HydrophobicContact CG1-CG 4.45Å; F167-L169 HydrophobicContact CD2-CD2 4.3Å; F167-L169 HydrophobicContact CE2-CD2 3.99Å; F167-L169 HydrophobicContact CE2-CG 4.27Å; F167-V194 HydrophobicContact CE2-CG1 4.31Å; F167-V194 HydrophobicContact CZ-CG1 3.99Å; F167-V252 HydrophobicContact CZ-CG2 3.99Å; F167-N260 HydrophobicContact CD1-CB 3.87Å; F167-N260 HydrophobicContact CD2-CB 4.27Å; F167-N260 HydrophobicContact CE1-CB 3.44Å; F167-N260 VanDerWaalsContact CE1-CB 3.44Å; F167-N260 HydrophobicContact CE2-CB 3.88Å; F167-N260 HydrophobicContact CG-CB 4.27Å; F167-N260 HydrophobicContact CZ-CB 3.45Å; F167-N260 VanDerWaalsContact CZ-CB 3.45Å; F167-N260 PolarHBondContact N-O 2.9Å; F167-N260 PolarHBondContact O-N 2.9Å; F167-I262 HydrophobicContact CD1-CD1 4.34Å; F167-I262 HydrophobicContact CE1-CD1 3.92Å; F167-I262 HydrophobicContact CE1-CG1 4.1Å; F167-V278 HydrophobicContact CE1-CG1 4.49Å
168A97.8Very high95.2Very high64 Ų6466.7 Ų66.753%0.52936%0.356SS..  trans-108.2158170.800000109.6
169L98.1Very high95.9Very high4 Ų465 Ų652%0.02136%0.359CS..  trans-105.6139.9170.9-66.3174.8000110L146 F167 Q173 V174 I177 V252 L254L146-L169 HydrophobicContact CD1-CD2 3.89Å; L146-L169 HydrophobicContact CD2-CD2 4.09Å; F167-L169 HydrophobicContact CD2-CD2 4.3Å; F167-L169 HydrophobicContact CE2-CD2 3.99Å; F167-L169 HydrophobicContact CE2-CG 4.27Å; L169-Q173 VanDerWaalsContact CA-OE1 3.27Å; L169-Q173 HydrophobicContact CD2-CB 4.28Å; L169-V174 HydrophobicContact CB-CG2 3.65Å; L169-V174 HydrophobicContact CD1-CG2 4.03Å; L169-I177 HydrophobicContact CD1-CD1 4.09Å; L169-I177 HydrophobicContact CD2-CD1 4.5Å; L169-V252 HydrophobicContact CD1-CG1 3.83Å; L169-L254 HydrophobicContact CD1-CD2 4.05Å
170T98.1Very high96.3Very high62 Ų6257 Ų5738%0.3833%0.332SS..  trans-76160170.778.60000110.7Q172 Q173 V174T170-Q172 PolarHBondContact O-N 2.88Å; T170-Q173 HydrophobicContact CG2-CG 4.48Å; T170-Q173 PolarHBondContact O-N 3.37Å; T170-Q173 VanDerWaalsContact O-N 3.13Å; T170-Q173 VanDerWaalsContact OG1-CG 3.29Å; T170-Q173 WeakPolarHBondContact OG1-CG 3.43Å; T170-Q173 PolarHBondContact OG1-N 2.94Å; T170-V174 PolarHBondContact O-N 2.87Å
171P98.1Very high96.2Very high93 Ų9355.9 Ų55.960%0.60433%0.329SS*.Hα-helixtrans-54.6-39.3175.9-23.531.6000113V174 Q175 T256P171-V174 PolarHBondContact O-N 2.81Å; P171-Q175 WeakPolarHBondContact O-CB 3.49Å; P171-Q175 PolarHBondContact O-N 2.72Å; P171-T256 HydrophobicContact CB-CG2 4.19Å; P171-T256 HydrophobicContact CG-CG2 3.92Å
172Q98.1Very high95.5Very high128 Ų12859.1 Ų59.160%0.59835%0.347SS*.Hα-helixtrans-65.5-42.5177.8-173.9-1808.600112T170 Q175 Q176T170-Q172 PolarHBondContact O-N 2.88Å; Q172-Q175 PolarHBondContact O-N 2.93Å; Q172-Q176 WeakPolarHBondContact O-CB 3.3Å; Q172-Q176 VanDerWaalsContact O-CG 3.24Å; Q172-Q176 WeakPolarHBondContact O-CG 3.48Å; Q172-Q176 PolarHBondContact O-N 2.98Å
173Q98.2Very high94.3Very high9 Ų960.9 Ų60.94%0.04236%0.358CS..Hα-helixtrans-66.8-40.8177.4-64167.1-12.200111.4D144 L169 T170 Q175 Q176 I177 L280D144-Q173 PolarHBondContact OD2-NE2 2.86Å; L169-Q173 VanDerWaalsContact CA-OE1 3.27Å; L169-Q173 HydrophobicContact CD2-CB 4.28Å; T170-Q173 HydrophobicContact CG2-CG 4.48Å; T170-Q173 PolarHBondContact O-N 3.37Å; T170-Q173 VanDerWaalsContact O-N 3.13Å; T170-Q173 VanDerWaalsContact OG1-CG 3.29Å; T170-Q173 WeakPolarHBondContact OG1-CG 3.43Å; T170-Q173 PolarHBondContact OG1-N 2.94Å; Q173-Q175 VanDerWaalsContact C-N 3.35Å; Q173-Q175 PolarHBondContact O-N 2.85Å; Q173-Q176 PolarHBondContact O-N 2.96Å; Q173-I177 WeakPolarHBondContact O-CG1 3.23Å; Q173-I177 PolarHBondContact O-N 2.84Å; Q173-L280 HydrophobicContact CB-CD2 3.97Å; Q173-L280 HydrophobicContact CG-CD2 3.7Å
174V97.6Very high92.9Very high26 Ų2664.9 Ų64.916%0.15839%0.385CS..Hα-helixtrans-59.7-45.6173.8170.30000110.8L169 T170 P171 I177 S178 L254 T256L169-V174 HydrophobicContact CB-CG2 3.65Å; L169-V174 HydrophobicContact CD1-CG2 4.03Å; T170-V174 PolarHBondContact O-N 2.87Å; P171-V174 PolarHBondContact O-N 2.81Å; V174-I177 PolarHBondContact O-N 2.8Å; V174-S178 WeakPolarHBondContact O-CB 3.41Å; V174-S178 PolarHBondContact O-N 2.72Å; V174-S178 PolarHBondContact O-OG 3.45Å; V174-L254 HydrophobicContact CG1-CB 4.28Å; V174-T256 HydrophobicContact CG2-CG2 3.96Å
175Q96.8Very high91.2Very high132 Ų13262.8 Ų62.862%0.61738%0.378SS*.Hα-helixtrans-62.9-45.5175.7-173-179.56.500111.9P171 Q172 Q173 I177 S178 S179P171-Q175 WeakPolarHBondContact O-CB 3.49Å; P171-Q175 PolarHBondContact O-N 2.72Å; Q172-Q175 PolarHBondContact O-N 2.93Å; Q173-Q175 VanDerWaalsContact C-N 3.35Å; Q173-Q175 PolarHBondContact O-N 2.85Å; Q175-I177 VanDerWaalsContact C-N 3.33Å; Q175-I177 PolarHBondContact O-N 2.85Å; Q175-S178 PolarHBondContact O-N 2.83Å; Q175-S178 PolarHBondContact O-OG 2.82Å; Q175-S179 VanDerWaalsContact O-CB 3.29Å; Q175-S179 WeakPolarHBondContact O-CB 3.34Å; Q175-S179 PolarHBondContact O-N 3.48Å; Q175-S179 PolarHBondContact O-OG 3.39Å; Q175-S179 VanDerWaalsContact O-OG 3.09Å
176Q96.8Very high89.2Confident59 Ų5969 Ų6928%0.27642%0.42SS..Hα-helixtrans-61.2-38.2179-78.4172.5-25.400113Q172 Q173 S180 V192Q172-Q176 WeakPolarHBondContact O-CB 3.3Å; Q172-Q176 VanDerWaalsContact O-CG 3.24Å; Q172-Q176 WeakPolarHBondContact O-CG 3.48Å; Q172-Q176 PolarHBondContact O-N 2.98Å; Q173-Q176 PolarHBondContact O-N 2.96Å; Q176-S180 VanDerWaalsContact O-CB 3.27Å; Q176-S180 WeakPolarHBondContact O-CB 3.28Å; Q176-S180 PolarHBondContact O-OG 3.46Å; Q176-V192 HydrophobicContact CB-CG1 4.4Å
177I96.6Very high87.5Confident0 Ų073.2 Ų73.20%043%0.426CS..Hα-helixtrans-69.9-54.8174.8-62.8161.1000109.4L169 Q173 V174 Q175 S179 S180 F190 V192 V194 T249 L254 L280L169-I177 HydrophobicContact CD1-CD1 4.09Å; L169-I177 HydrophobicContact CD2-CD1 4.5Å; Q173-I177 WeakPolarHBondContact O-CG1 3.23Å; Q173-I177 PolarHBondContact O-N 2.84Å; V174-I177 PolarHBondContact O-N 2.8Å; Q175-I177 VanDerWaalsContact C-N 3.33Å; Q175-I177 PolarHBondContact O-N 2.85Å; I177-S179 PolarHBondContact O-N 2.93Å; I177-S180 WeakPolarHBondContact O-CB 3.5Å; I177-S180 PolarHBondContact O-N 2.82Å; I177-S180 PolarHBondContact O-OG 2.92Å; I177-F190 HydrophobicContact CG2-CD1 3.85Å; I177-F190 HydrophobicContact CG2-CE1 4.1Å; I177-F190 WeakPolarHBondContact O-CD1 3.45Å; I177-V192 HydrophobicContact CG1-CG1 4.06Å; I177-V194 HydrophobicContact CD1-CG2 3.88Å; I177-T249 HydrophobicContact CG2-CG2 3.72Å; I177-L254 HydrophobicContact CB-CD2 4.1Å; I177-L254 HydrophobicContact CD1-CD2 3.77Å; I177-L254 HydrophobicContact CG2-CD1 4Å; I177-L254 HydrophobicContact CG2-CD2 3.76Å; I177-L280 HydrophobicContact CD1-CD1 3.83Å; I177-L280 HydrophobicContact CG1-CD1 3.83Å
178S94.6Very high86Confident59 Ų5977.1 Ų77.141%0.41345%0.453SS..Hα-helixtrans-63.5-37-173.761.40000113.4V174 Q175 S180V174-S178 WeakPolarHBondContact O-CB 3.41Å; V174-S178 PolarHBondContact O-N 2.72Å; V174-S178 PolarHBondContact O-OG 3.45Å; Q175-S178 PolarHBondContact O-N 2.83Å; Q175-S178 PolarHBondContact O-OG 2.82Å; S178-S180 PolarHBondContact O-N 2.83Å
179S94.4Very high85.2Confident95 Ų9578.6 Ų78.666%0.66445%0.452SS*.THydrogen-bonded Turntrans-77.11175.1820000114.2Q175 I177Q175-S179 VanDerWaalsContact O-CB 3.29Å; Q175-S179 WeakPolarHBondContact O-CB 3.34Å; Q175-S179 PolarHBondContact O-N 3.48Å; Q175-S179 PolarHBondContact O-OG 3.39Å; Q175-S179 VanDerWaalsContact O-OG 3.09Å; I177-S179 PolarHBondContact O-N 2.93Å
180S94Very high84.9Confident18 Ų1879.8 Ų79.813%0.12646%0.457CS..THydrogen-bonded Turntrans-108.14.9178.278.80000113.7Q176 I177 S178 D182 F190 A191 V192Q176-S180 VanDerWaalsContact O-CB 3.27Å; Q176-S180 WeakPolarHBondContact O-CB 3.28Å; Q176-S180 PolarHBondContact O-OG 3.46Å; I177-S180 WeakPolarHBondContact O-CB 3.5Å; I177-S180 PolarHBondContact O-N 2.82Å; I177-S180 PolarHBondContact O-OG 2.92Å; S178-S180 PolarHBondContact O-N 2.83Å; S180-D182 PolarHBondContact O-N 2.9Å; S180-F190 WeakPolarHBondContact O-CA 3.32Å; S180-A191 PolarHBondContact O-N 3.48Å; S180-V192 WeakPolarHBondContact OG-CB 3.36Å; S180-V192 PolarHBondContact OG-N 3.07Å; S180-V192 PolarHBondContact OG-O 3.15Å
181M88.6Confident84.6Confident81 Ų8179 Ų7940%0.39946%0.457SS..BIsolated β-bridgetrans-68119.9176-169.4-170.4-51.800109.8C188 F190M181-C188 HydrophobicContact CG-CB 4.5Å; M181-F190 HydrophobicContact CB-CD1 3.88Å; M181-F190 HydrophobicContact CB-CE1 3.77Å; M181-F190 HydrophobicContact CE-CE1 3.72Å; M181-F190 HydrophobicContact CE-CZ 3.85Å; M181-F190 HydrophobicContact CG-CD1 4.29Å; M181-F190 HydrophobicContact CG-CE1 3.93Å; M181-F190 HydrophobicContact CG-CZ 4.2Å
182D80.5Confident84.6Confident86 Ų8674.6 Ų74.646%0.4643%0.428SS..  trans-89136.5169.5-162.4-18.7000109.5S180 S184 D189S180-D182 PolarHBondContact O-N 2.9Å; D182-S184 VanDerWaalsContact CG-OG 3.22Å; D182-S184 VanDerWaalsContact OD1-CB 3.25Å; D182-S184 WeakPolarHBondContact OD1-CB 3.29Å; D182-S184 PolarHBondContact OD1-N 3.08Å; D182-S184 PolarHBondContact OD1-OG 3.34Å; D182-S184 PolarHBondContact OD2-OG 3.49Å; D182-D189 PolarHBondContact N-O 2.9Å
183I67.6Low84.5Confident144 Ų14468.6 Ų68.674%0.73840%0.401SS*.  trans-113.4-4.9-177.2-50.3177000110.1G185I183-G185 VanDerWaalsContact C-N 3.25Å; I183-G185 PolarHBondContact O-N 2.92Å
184S67.1Low84.5Confident105 Ų10568.2 Ų68.273%0.73440%0.399SS*.SBendtrans-71.7-14-178.266.60000114.6D182D182-S184 VanDerWaalsContact CG-OG 3.22Å; D182-S184 VanDerWaalsContact OD1-CB 3.25Å; D182-S184 WeakPolarHBondContact OD1-CB 3.29Å; D182-S184 PolarHBondContact OD1-N 3.08Å; D182-S184 PolarHBondContact OD1-OG 3.34Å; D182-S184 PolarHBondContact OD2-OG 3.49Å
185G59.9Low84.6Confident46 Ų4667.1 Ų67.147%0.47439%0.392SS..SBendtrans-108.4162.8-179.100000114.2I183 K187I183-G185 VanDerWaalsContact C-N 3.25Å; I183-G185 PolarHBondContact O-N 2.92Å; G185-K187 PolarHBondContact O-N 3.4Å
186T54.7Low84.7Confident162 Ų16260.9 Ų60.999%0.99436%0.363SS*.SBendtrans-71.712.7172.249.60000114.1
187K61.9Low84.7Confident155 Ų15558.5 Ų58.567%0.67435%0.351SS*.SBendtrans-139.6141169.7-78.1-178.7176175.60108.9G185 D189G185-K187 PolarHBondContact O-N 3.4Å; K187-D189 VanDerWaalsContact C-N 3.31Å; K187-D189 PolarHBondContact O-N 3.04Å
188C65.8Low84.8Confident91 Ų9158.5 Ų58.562%0.61535%0.351SS*.  trans-74.585.8166.6-49.90000109.4M181M181-C188 HydrophobicContact CG-CB 4.5Å
189D82Confident84.9Confident96 Ų9655.7 Ų55.751%0.51333%0.332SS..  trans-89.5143.3169.8-77.7-43.3000109.9D182 K187D182-D189 PolarHBondContact N-O 2.9Å; K187-D189 VanDerWaalsContact C-N 3.31Å; K187-D189 PolarHBondContact O-N 3.04Å
190F90.8Very high85Confident28 Ų2852.3 Ų52.312%0.12331%0.306CS..BIsolated β-bridgetrans-110.7131.2-179.3-64.9-99.2000109.4I177 S180 M181 V192 Q193 T249I177-F190 HydrophobicContact CG2-CD1 3.85Å; I177-F190 HydrophobicContact CG2-CE1 4.1Å; I177-F190 WeakPolarHBondContact O-CD1 3.45Å; S180-F190 WeakPolarHBondContact O-CA 3.32Å; M181-F190 HydrophobicContact CB-CD1 3.88Å; M181-F190 HydrophobicContact CB-CE1 3.77Å; M181-F190 HydrophobicContact CE-CE1 3.72Å; M181-F190 HydrophobicContact CE-CZ 3.85Å; M181-F190 HydrophobicContact CG-CD1 4.29Å; M181-F190 HydrophobicContact CG-CE1 3.93Å; M181-F190 HydrophobicContact CG-CZ 4.2Å; F190-V192 VanDerWaalsContact C-N 3.32Å; F190-V192 WeakPolarHBondContact CB-O 3.35Å; F190-Q193 HydrophobicContact CB-CG 4.39Å; F190-Q193 WeakPolarHBondContact O-CG 3.47Å; F190-Q193 PolarHBondContact O-NE2 2.74Å; F190-T249 HydrophobicContact CD2-CG2 4.07Å; F190-T249 HydrophobicContact CE2-CG2 4.41Å; F190-T249 HydrophobicContact CG-CG2 4.18Å
191A93.5Very high84.9Confident46 Ų4652.9 Ų52.938%0.3831%0.31SS..SBendtrans-73.8-23.6174.300000112.5S180 R282 Q283S180-A191 PolarHBondContact O-N 3.48Å; A191-R282 CarbonylContact O-C 3.55Å; A191-R282 WeakPolarHBondContact O-CA 3.34Å; A191-Q283 PolarHBondContact O-N 3.48Å
192V97.3Very high85.1Confident0 Ų053.7 Ų53.70%031%0.313CS..EExtended strand (participates in β ladder)trans-110.2123.2168.9179.90000109.4L143 Q176 I177 S180 F190 L280 V281 R282L143-V192 HydrophobicContact CD1-CG1 3.81Å; L143-V192 HydrophobicContact CD1-CG2 4.23Å; Q176-V192 HydrophobicContact CB-CG1 4.4Å; I177-V192 HydrophobicContact CG1-CG1 4.06Å; S180-V192 WeakPolarHBondContact OG-CB 3.36Å; S180-V192 PolarHBondContact OG-N 3.07Å; S180-V192 PolarHBondContact OG-O 3.15Å; F190-V192 VanDerWaalsContact C-N 3.32Å; F190-V192 WeakPolarHBondContact CB-O 3.35Å; V192-L280 HydrophobicContact CG1-CD1 3.76Å; V192-L280 HydrophobicContact CG1-CG 4.1Å; V192-V281 CarbonylContact C-O 3.5Å; V192-V281 VanDerWaalsContact CA-O 3.31Å; V192-V281 WeakPolarHBondContact CA-O 3.46Å; V192-R282 HydrophobicContact CG2-CB 4.46Å
193Q96.9Very high85.6Confident3 Ų354.1 Ų54.11%0.01432%0.318CS..EExtended strand (participates in β ladder)trans-129.7150.5-166.3-60.8175.16.800111.9F190 N247 T249 V281F190-Q193 HydrophobicContact CB-CG 4.39Å; F190-Q193 WeakPolarHBondContact O-CG 3.47Å; F190-Q193 PolarHBondContact O-NE2 2.74Å; Q193-N247 PolarHBondContact OE1-ND2 2.82Å; Q193-T249 VanDerWaalsContact CA-OG1 3.3Å; Q193-T249 WeakPolarHBondContact CA-OG1 3.36Å; Q193-T249 WeakPolarHBondContact CB-OG1 3.27Å; Q193-V281 HydrophobicContact CB-CG2 4Å; Q193-V281 PolarHBondContact N-O 2.69Å; Q193-V281 PolarHBondContact O-N 3.19Å
194V98.3Very high86.7Confident0 Ų051.7 Ų51.70%032%0.315CS..EExtended strand (participates in β ladder)trans-90.1117163.3-1770000108.5L146 F167 I177 I248 T249 V252 V278 L280L146-V194 HydrophobicContact CD1-CG1 4.02Å; L146-V194 HydrophobicContact CD1-CG2 4.17Å; F167-V194 HydrophobicContact CE2-CG1 4.31Å; F167-V194 HydrophobicContact CZ-CG1 3.99Å; I177-V194 HydrophobicContact CD1-CG2 3.88Å; V194-I248 HydrophobicContact CB-CG1 4.08Å; V194-I248 HydrophobicContact CG1-CD1 3.83Å; V194-I248 HydrophobicContact CG1-CG1 3.68Å; V194-I248 WeakPolarHBondContact O-CG1 3.43Å; V194-I248 PolarHBondContact O-N 3.23Å; V194-T249 PolarHBondContact N-OG1 2.8Å; V194-V252 HydrophobicContact CB-CG2 4.15Å; V194-V252 HydrophobicContact CG1-CG2 4.18Å; V194-V252 HydrophobicContact CG2-CG1 4.35Å; V194-V252 HydrophobicContact CG2-CG2 4.27Å; V194-V278 HydrophobicContact CG1-CG1 3.57Å; V194-L280 HydrophobicContact CG2-CD1 4.34Å
195Q98.3Very high87.9Confident4 Ų450 Ų502%0.01930%0.302CS..EExtended strand (participates in β ladder)trans-115.9114-173.4-172.5177.799.500110.9Y140 R197 P245 I246 V278 Y279 V281Y140-Q195 VanDerWaalsContact CD1-NE2 3.25Å; Y140-Q195 VanDerWaalsContact CE1-NE2 3.34Å; Q195-R197 HydrophobicContact CG-CG 4.16Å; Q195-P245 VanDerWaalsContact CD-CB 3.46Å; Q195-P245 HydrophobicContact CG-CB 3.72Å; Q195-I246 WeakPolarHBondContact CA-O 3.46Å; Q195-V278 WeakPolarHBondContact O-CA 3.43Å; Q195-Y279 PolarHBondContact N-O 3.4Å; Q195-Y279 PolarHBondContact O-N 2.87Å; Q195-V281 HydrophobicContact CB-CG1 4.18Å; Q195-V281 HydrophobicContact CB-CG2 3.8Å
196L98.5Very high89.6Confident0 Ų051.7 Ų51.70%031%0.305CS..EExtended strand (participates in β ladder)trans-86.8132.8171.3172.265.2000109.5F198 V217 I246 I248 I262 M276 V278L196-F198 HydrophobicContact CD1-CE2 4.12Å; L196-F198 HydrophobicContact CD1-CZ 4.02Å; L196-F198 HydrophobicContact CD2-CE2 3.72Å; L196-F198 HydrophobicContact CD2-CZ 3.9Å; L196-F198 HydrophobicContact CG-CD2 4.47Å; L196-F198 HydrophobicContact CG-CE2 3.74Å; L196-F198 HydrophobicContact CG-CZ 4.08Å; L196-V217 HydrophobicContact CD2-CG1 3.75Å; L196-V217 HydrophobicContact CD2-CG2 4.25Å; L196-I246 HydrophobicContact CB-CB 4.37Å; L196-I246 HydrophobicContact CD2-CD1 4.29Å; L196-I246 HydrophobicContact CG-CD1 4.43Å; L196-I246 PolarHBondContact N-O 2.81Å; L196-I246 PolarHBondContact O-N 3.5Å; L196-I248 HydrophobicContact CB-CD1 4.23Å; L196-I248 HydrophobicContact CB-CG1 4.47Å; L196-I248 HydrophobicContact CB-CG2 3.99Å; L196-I248 HydrophobicContact CD2-CG2 4.33Å; L196-I262 HydrophobicContact CD1-CD1 4.43Å; L196-I262 HydrophobicContact CD2-CG2 4.4Å; L196-M276 HydrophobicContact CD1-SD 4.26Å; L196-V278 HydrophobicContact CD1-CG2 3.86Å
197R98.4Very high91.6Very high10 Ų1044.7 Ų44.74%0.03826%0.26CS..EExtended strand (participates in β ladder)trans-131.8153.3177.2-60.6-17671-171.62.9111.1L134 Q135 Q195 D209 P245 M276 A277 Y279L134-R197 HydrophobicContact CD2-CB 3.45Å; L134-R197 VanDerWaalsContact CD2-CB 3.45Å; L134-R197 HydrophobicContact CD2-CG 4.33Å; Q135-R197 PolarHBondContact O-NH1 2.89Å; Q135-R197 PolarHBondContact O-NH2 3.5Å; Q195-R197 HydrophobicContact CG-CG 4.16Å; R197-D209 IonicContact CZ-OD1 3.67Å; R197-D209 IonicContact CZ-OD2 3.64Å; R197-D209 IonicContact NE-OD1 2.72Å; R197-D209 PolarHBondContact NE-OD1 3.17Å; R197-D209 IonicContact NE-OD2 3.6Å; R197-D209 PolarHBondContact NE-OD2 3.32Å; R197-D209 IonicContact NH2-OD1 3.48Å; R197-D209 IonicContact NH2-OD2 2.72Å; R197-D209 PolarHBondContact NH2-OD2 3.17Å; R197-P245 HydrophobicContact CG-CB 4.09Å; R197-M276 VanDerWaalsContact O-CA 3.31Å; R197-M276 WeakPolarHBondContact O-CA 3.19Å; R197-A277 PolarHBondContact N-O 3.46Å; R197-A277 PolarHBondContact O-N 3.48Å; R197-Y279 HydrophobicContact CG-CD2 4.41Å
198F97.9Very high93.2Very high0 Ų042.6 Ų42.60%025%0.253CS..EExtended strand (participates in β ladder)trans-131.7148.1177-65.8-83.2000109.7L152 L196 D209 H210 F211 L215 V217 I246 V264 S275 M276L152-F198 HydrophobicContact CD1-CD1 4.07Å; L152-F198 HydrophobicContact CD1-CE1 4.13Å; L196-F198 HydrophobicContact CD1-CE2 4.12Å; L196-F198 HydrophobicContact CD1-CZ 4.02Å; L196-F198 HydrophobicContact CD2-CE2 3.72Å; L196-F198 HydrophobicContact CD2-CZ 3.9Å; L196-F198 HydrophobicContact CG-CD2 4.47Å; L196-F198 HydrophobicContact CG-CE2 3.74Å; L196-F198 HydrophobicContact CG-CZ 4.08Å; F198-D209 CarbonylContact O-C 3.52Å; F198-D209 VanDerWaalsContact O-CA 3.3Å; F198-D209 WeakPolarHBondContact O-CA 3.27Å; F198-H210 CarbonylContact C-O 3.57Å; F198-H210 WeakPolarHBondContact CB-O 3.48Å; F198-H210 PolarHBondContact O-N 3.08Å; F198-F211 HydrophobicContact CB-CD1 4.17Å; F198-F211 AromaticContact CD2-CD1 3.96Å; F198-F211 HydrophobicContact CD2-CD1 3.96Å; F198-F211 HydrophobicContact CD2-CE1 4.14Å; F198-F211 HydrophobicContact CG-CD1 4.43Å; F198-L215 HydrophobicContact CD2-CD2 3.83Å; F198-L215 HydrophobicContact CE1-CD1 4.17Å; F198-L215 HydrophobicContact CE2-CD1 4.16Å; F198-L215 HydrophobicContact CE2-CD2 3.78Å; F198-L215 HydrophobicContact CG-CD2 4.45Å; F198-L215 HydrophobicContact CZ-CD1 3.89Å; F198-L215 HydrophobicContact CZ-CD2 4.36Å; F198-V217 HydrophobicContact CE2-CG2 4.02Å; F198-V217 HydrophobicContact CZ-CG2 3.89Å; F198-I246 HydrophobicContact CD2-CD1 4.01Å; F198-I246 HydrophobicContact CE2-CD1 3.77Å; F198-V264 HydrophobicContact CE1-CG1 3.72Å; F198-V264 HydrophobicContact CE1-CG2 4.15Å; F198-V264 HydrophobicContact CZ-CG1 3.88Å; F198-V264 HydrophobicContact CZ-CG2 3.98Å; F198-S275 CarbonylContact C-O 3.49Å; F198-S275 WeakPolarHBondContact CA-O 3.3Å; F198-M276 HydrophobicContact CD1-CB 3.59Å; F198-M276 HydrophobicContact CE1-CB 3.52Å; F198-M276 HydrophobicContact CE1-CG 4.48Å; F198-M276 HydrophobicContact CE1-SD 4.39Å; F198-M276 HydrophobicContact CZ-CB 4.42Å
199C97.1Very high94.6Very high0 Ų039.3 Ų39.30%023%0.229CC..EExtended strand (participates in β ladder)trans-153.3173.8179.757.10000111.2L134 Q207 H210 F274 S275L134-C199 HydrophobicContact CD2-CB 4.15Å; L134-C199 HydrophobicContact CG-CB 4.14Å; C199-Q207 HydrophobicContact CB-CB 3.72Å; C199-Q207 HydrophobicContact CB-CG 4.41Å; C199-H210 PolarHBondContact N-O 3.19Å; C199-F274 CarbonylContact O-C 3.53Å; C199-F274 VanDerWaalsContact O-CA 3.28Å; C199-F274 WeakPolarHBondContact O-CA 3.45Å; C199-S275 PolarHBondContact N-O 2.95Å; C199-S275 PolarHBondContact O-N 2.89Å
200L95.1Very high95.3Very high24 Ų2437.2 Ų37.213%0.12622%0.217CC..EExtended strand (participates in β ladder)trans-73.9148.8165.8-64169.5000109.7E202 H210 F274L200-E202 HydrophobicContact CB-CG 4.31Å; L200-E202 PolarHBondContact O-N 2.9Å; L200-H210 HydrophobicContact CG-CB 4.32Å; L200-F274 HydrophobicContact CD2-CD1 3.93Å; L200-F274 HydrophobicContact CD2-CE1 3.58Å; L200-F274 HydrophobicContact CD2-CZ 4.07Å
201S93.4Very high95.6Very high30 Ų3036.5 Ų36.521%0.2121%0.213CC..  trans-80.245.2176.7-51.40000113C273 F274 S275S201-C273 PolarHBondContact N-O 3.49Å; S201-F274 WeakPolarHBondContact OG-CA 3.22Å; S201-F274 PolarHBondContact OG-N 3.14Å; S201-F274 PolarHBondContact OG-O 2.83Å; S201-F274 VanDerWaalsContact OG-O 3.11Å; S201-S275 PolarHBondContact OG-N 3.19Å; S201-S275 PolarHBondContact OG-OG 3.29Å
202E91.7Very high95.6Very high98 Ų9834.5 Ų34.546%0.45820%0.197SC..  trans-96.6128178.2-69.1-175.8-148.400110.9L200 Q207L200-E202 HydrophobicContact CB-CG 4.31Å; L200-E202 PolarHBondContact O-N 2.9Å; E202-Q207 PolarHBondContact O-NE2 3.19Å
203T92Very high95.4Very high94 Ų9435.8 Ų35.858%0.57721%0.205SC*.  trans-101-0.3-177.554.40000113.7D131 V132 C205D131-T203 HydrophobicContact CB-CG2 4.34Å; V132-T203 HydrophobicContact CG2-CG2 3.89Å; T203-C205 VanDerWaalsContact C-N 3.34Å; T203-C205 PolarHBondContact O-N 3.3Å
204S91.1Very high95.2Very high94 Ų9438.8 Ų38.866%0.65722%0.221SC*.SBendtrans-68.5-28.2-179.347.70000113.8
205C92.1Very high95.1Very high69 Ų6939 Ų3947%0.46622%0.222SC..SBendtrans-157.8165179.659.20000111T203 Q207T203-C205 VanDerWaalsContact C-N 3.34Å; T203-C205 PolarHBondContact O-N 3.3Å; C205-Q207 PolarHBondContact O-NE2 3.16Å; C205-Q207 PolarHBondContact SG-NE2 3.45Å
206P94.3Very high94.9Very high82 Ų8241.3 Ų41.353%0.53224%0.238SC..PPolyproline II helixtrans-60.7135.5169-21.733.9000111.9K133 Q135K133-P206 CarbonylContact O-C 3.59Å; K133-P206 WeakPolarHBondContact O-CA 3.14Å; Q135-P206 HydrophobicContact CB-CB 4.44Å
207Q96.4Very high94.9Very high14 Ų1441.4 Ų41.47%0.06524%0.239CC..BIsolated β-bridgetrans-95.2132.1-169.9-61-63.2-5800113.2V132 K133 Q135 C199 E202 C205V132-Q207 HydrophobicContact CG1-CG 3.98Å; K133-Q207 PolarHBondContact O-N 2.96Å; Q135-Q207 WeakPolarHBondContact CB-O 3.12Å; Q135-Q207 PolarHBondContact N-O 3.29Å; C199-Q207 HydrophobicContact CB-CB 3.72Å; C199-Q207 HydrophobicContact CB-CG 4.41Å; E202-Q207 PolarHBondContact O-NE2 3.19Å; C205-Q207 PolarHBondContact O-NE2 3.16Å; C205-Q207 PolarHBondContact SG-NE2 3.45Å
208E95.5Very high94.9Very high112 Ų11244.4 Ų44.452%0.52325%0.252SS..PPolyproline II helixtrans-64.8157.5162.6-75.3-169.9154.400110.2H210 K376E208-H210 PolarHBondContact O-N 2.68Å; E208-K376 IonicContact OE1-NZ 3.96Å; E208-K376 PolarHBondContact OE1-NZ 2.99Å
209D97Very high94.9Very high22 Ų2244.4 Ų44.412%0.11825%0.252CS..PPolyproline II helixtrans-60.9126.4174.9-64.8-94.3000110.9R197 F198 S243R197-D209 IonicContact CZ-OD1 3.67Å; R197-D209 IonicContact CZ-OD2 3.64Å; R197-D209 IonicContact NE-OD1 2.72Å; R197-D209 PolarHBondContact NE-OD1 3.17Å; R197-D209 IonicContact NE-OD2 3.6Å; R197-D209 PolarHBondContact NE-OD2 3.32Å; R197-D209 IonicContact NH2-OD1 3.48Å; R197-D209 IonicContact NH2-OD2 2.72Å; R197-D209 PolarHBondContact NH2-OD2 3.17Å; F198-D209 CarbonylContact O-C 3.52Å; F198-D209 VanDerWaalsContact O-CA 3.3Å; F198-D209 WeakPolarHBondContact O-CA 3.27Å; D209-S243 WeakPolarHBondContact O-CB 3.37Å
210H95.9Very high95Very high52 Ų5245.5 Ų45.524%0.24126%0.258CS..  trans-138.2113.3178.9-146.4123.4000110.4F198 C199 L200 E208 K240F198-H210 CarbonylContact C-O 3.57Å; F198-H210 WeakPolarHBondContact CB-O 3.48Å; F198-H210 PolarHBondContact O-N 3.08Å; C199-H210 PolarHBondContact N-O 3.19Å; L200-H210 HydrophobicContact CG-CB 4.32Å; E208-H210 PolarHBondContact O-N 2.68Å; H210-K240 PolarHBondContact NE2-NZ 3.35Å
211F96.1Very high95.1Very high12 Ų1247.2 Ų47.25%0.05328%0.281CS..PPolyproline II helixtrans-75.6136.9175.5-64.3-27.4000111.4F198 L215 P227 R241 P242 S243 R244 I246F198-F211 HydrophobicContact CB-CD1 4.17Å; F198-F211 AromaticContact CD2-CD1 3.96Å; F198-F211 HydrophobicContact CD2-CD1 3.96Å; F198-F211 HydrophobicContact CD2-CE1 4.14Å; F198-F211 HydrophobicContact CG-CD1 4.43Å; F211-L215 HydrophobicContact CB-CB 4.49Å; F211-L215 HydrophobicContact CB-CD2 3.85Å; F211-L215 HydrophobicContact CD1-CD2 3.57Å; F211-L215 HydrophobicContact CD2-CD2 4.36Å; F211-L215 HydrophobicContact CE1-CD2 4.18Å; F211-L215 HydrophobicContact CG-CD2 3.68Å; F211-P227 HydrophobicContact CE2-CG 4.07Å; F211-P227 HydrophobicContact CZ-CG 4.23Å; F211-R241 HydrophobicContact CD2-CB 4.3Å; F211-R241 HydrophobicContact CD2-CG 3.78Å; F211-R241 HydrophobicContact CE2-CG 3.76Å; F211-P242 VanDerWaalsContact CE2-O 3.26Å; F211-P242 WeakPolarHBondContact CE2-O 3.36Å; F211-S243 PolarHBondContact N-OG 3.44Å; F211-R244 WeakPolarHBondContact CE1-O 3.21Å; F211-R244 WeakPolarHBondContact CZ-O 3.02Å; F211-I246 HydrophobicContact CE1-CD1 3.77Å; F211-I246 HydrophobicContact CE1-CG1 4.09Å; F211-I246 HydrophobicContact CZ-CD1 4.06Å; F211-I246 HydrophobicContact CZ-CG1 4.03Å
212P95Very high95.3Very high5 Ų551.9 Ų51.93%0.03230%0.298CS..PPolyproline II helixtrans-53.1152.2160.6-25.233.8000112.2L152 L215 W266 F274L152-P212 HydrophobicContact CD1-CG 3.6Å; P212-L215 HydrophobicContact CG-CD1 4.45Å; P212-L215 WeakPolarHBondContact O-CB 3.27Å; P212-L215 PolarHBondContact O-N 3.24Å; P212-W266 HydrophobicContact CB-CB 3.6Å; P212-W266 HydrophobicContact CB-CG 3.95Å; P212-W266 HydrophobicContact CG-CB 4.37Å; P212-W266 HydrophobicContact CG-CG 4.49Å; P212-F274 HydrophobicContact CB-CD1 4.36Å; P212-F274 HydrophobicContact CB-CD2 4.35Å; P212-F274 HydrophobicContact CB-CE1 4.49Å; P212-F274 HydrophobicContact CB-CE2 4.48Å; P212-F274 HydrophobicContact CB-CG 4.29Å; P212-F274 HydrophobicContact CG-CB 4Å; P212-F274 HydrophobicContact CG-CD1 3.9Å; P212-F274 HydrophobicContact CG-CD2 4.34Å; P212-F274 HydrophobicContact CG-CE1 4.45Å; P212-F274 HydrophobicContact CG-CG 3.84Å
213P92.3Very high95.5Very high27 Ų2752 Ų5218%0.17531%0.307CS..THydrogen-bonded Turntrans-65.3144.7172.931.5-37.5000110.5L215 T267 E269P213-L215 PolarHBondContact O-N 3.47Å; P213-L215 VanDerWaalsContact O-N 3.16Å; P213-T267 HydrophobicContact CG-CG2 4.4Å; P213-T267 VanDerWaalsContact CG-O 3.23Å; P213-T267 WeakPolarHBondContact CG-O 3.5Å; P213-T267 PolarHBondContact O-N 2.95Å; P213-E269 HydrophobicContact CG-CG 4.05Å; P213-E269 WeakPolarHBondContact CG-OE1 3.43Å
214N92.3Very high95.7Very high65 Ų6548.1 Ų48.135%0.34828%0.284SS..THydrogen-bonded Turntrans5329.2-175.6-59.8-46.9000114.8C216 T267N214-C216 PolarHBondContact O-N 3.45Å; N214-T267 PolarHBondContact ND2-OG1 3.26Å
215L95.7Very high95.8Very high5 Ų551 Ų513%0.02629%0.292CS..  trans-53.5123.3176.8178.767.2000111.8F198 F211 P212 P213 V217 L226 R241 V264 S265F198-L215 HydrophobicContact CD2-CD2 3.83Å; F198-L215 HydrophobicContact CE1-CD1 4.17Å; F198-L215 HydrophobicContact CE2-CD1 4.16Å; F198-L215 HydrophobicContact CE2-CD2 3.78Å; F198-L215 HydrophobicContact CG-CD2 4.45Å; F198-L215 HydrophobicContact CZ-CD1 3.89Å; F198-L215 HydrophobicContact CZ-CD2 4.36Å; F211-L215 HydrophobicContact CB-CB 4.49Å; F211-L215 HydrophobicContact CB-CD2 3.85Å; F211-L215 HydrophobicContact CD1-CD2 3.57Å; F211-L215 HydrophobicContact CD2-CD2 4.36Å; F211-L215 HydrophobicContact CE1-CD2 4.18Å; F211-L215 HydrophobicContact CG-CD2 3.68Å; P212-L215 HydrophobicContact CG-CD1 4.45Å; P212-L215 WeakPolarHBondContact O-CB 3.27Å; P212-L215 PolarHBondContact O-N 3.24Å; P213-L215 PolarHBondContact O-N 3.47Å; P213-L215 VanDerWaalsContact O-N 3.16Å; L215-V217 HydrophobicContact CD1-CG2 3.89Å; L215-V217 HydrophobicContact CD2-CG2 4.47Å; L215-V217 HydrophobicContact CG-CG2 4.14Å; L215-L226 HydrophobicContact CD2-CD1 4.27Å; L215-L226 HydrophobicContact CG-CD1 4.04Å; L215-L226 WeakPolarHBondContact O-CD1 3.41Å; L215-R241 PolarHBondContact O-NH1 2.83Å; L215-V264 HydrophobicContact CD1-CG1 3.68Å; L215-S265 WeakPolarHBondContact CA-O 3.24Å
216C96Very high95.8Very high52 Ų5249.3 Ų49.335%0.35128%0.278SS..EExtended strand (participates in β ladder)trans-121.6144.2165.8-171.40000108.5N214 S265N214-C216 PolarHBondContact O-N 3.45Å; C216-S265 PolarHBondContact N-O 2.9Å; C216-S265 PolarHBondContact O-N 3.22Å
217V98.1Very high95.6Very high2 Ų247.1 Ų47.11%0.01226%0.264CS..EExtended strand (participates in β ladder)trans-137.2135.2177.9177.50000108.8L196 F198 L215 V219 C224 L226 I262 V263L196-V217 HydrophobicContact CD2-CG1 3.75Å; L196-V217 HydrophobicContact CD2-CG2 4.25Å; F198-V217 HydrophobicContact CE2-CG2 4.02Å; F198-V217 HydrophobicContact CZ-CG2 3.89Å; L215-V217 HydrophobicContact CD1-CG2 3.89Å; L215-V217 HydrophobicContact CD2-CG2 4.47Å; L215-V217 HydrophobicContact CG-CG2 4.14Å; V217-V219 HydrophobicContact CG1-CG2 4.14Å; V217-C224 HydrophobicContact CB-CB 3.95Å; V217-C224 HydrophobicContact CG1-CB 3.94Å; V217-C224 WeakPolarHBondContact O-CB 3.36Å; V217-C224 PolarHBondContact O-N 3.43Å; V217-L226 HydrophobicContact CG2-CD2 4.32Å; V217-I262 HydrophobicContact CG1-CG2 3.95Å; V217-V263 CarbonylContact C-O 3.26Å; V217-V263 WeakPolarHBondContact CA-O 3.33Å
218K98.4Very high95.1Very high73 Ų7349.2 Ų49.232%0.31729%0.289SS..EExtended strand (participates in β ladder)trans-121.9133.1169.2-54.4162.7-168.9150.20108.4E162 K222 I262 V263E162-K218 IonicContact OE2-NZ 3.54Å; K218-K222 CarbonylContact C-O 3.57Å; K218-K222 WeakPolarHBondContact CA-O 3.16Å; K218-I262 CarbonylContact O-C 3.55Å; K218-I262 WeakPolarHBondContact O-CA 3.47Å; K218-V263 HydrophobicContact CB-CB 4.33Å; K218-V263 PolarHBondContact N-O 2.87Å; K218-V263 PolarHBondContact O-N 3.29Å
219V98.4Very high94.7Very high0 Ų049.8 Ų49.80%029%0.287CS..EExtended strand (participates in β ladder)trans-117.3124.1175.5-178.70000108.2V217 G221 K222 I248 L251 V252 T261 I262V217-V219 HydrophobicContact CG1-CG2 4.14Å; V219-G221 PolarHBondContact O-N 3.34Å; V219-G221 VanDerWaalsContact O-N 3.13Å; V219-K222 PolarHBondContact N-O 3.05Å; V219-K222 PolarHBondContact O-N 2.98Å; V219-I248 HydrophobicContact CG1-CD1 4.43Å; V219-I248 HydrophobicContact CG2-CB 4.24Å; V219-I248 HydrophobicContact CG2-CD1 4.17Å; V219-I248 HydrophobicContact CG2-CG2 4.16Å; V219-L251 HydrophobicContact CB-CB 3.75Å; V219-L251 HydrophobicContact CB-CD1 4.07Å; V219-L251 HydrophobicContact CG1-CB 3.82Å; V219-L251 HydrophobicContact CG2-CD1 4.33Å; V219-V252 HydrophobicContact CG1-CG2 4.45Å; V219-T261 CarbonylContact C-O 3.41Å; V219-T261 WeakPolarHBondContact CA-O 2.98Å; V219-I262 HydrophobicContact CG2-CG1 4.38Å; V219-I262 HydrophobicContact CG2-CG2 4.48Å
220N97.9Very high94Very high23 Ų2353.5 Ų53.512%0.12331%0.306CS..THydrogen-bonded Turntrans51.434.2-175.2-63.8-48.2000113.8K222 L251 R253 N260 T261N220-K222 VanDerWaalsContact C-N 3.3Å; N220-K222 PolarHBondContact O-N 3.38Å; N220-L251 PolarHBondContact ND2-O 3.23Å; N220-R253 PolarHBondContact ND2-N 2.8Å; N220-R253 PolarHBondContact OD1-NH1 3.05Å; N220-N260 PolarHBondContact ND2-OD1 2.91Å; N220-N260 WeakPolarHBondContact OD1-CA 3.35Å; N220-T261 PolarHBondContact N-O 2.93Å; N220-T261 PolarHBondContact OD1-N 3.07Å
221G96.6Very high93.1Very high60 Ų6056.2 Ų56.262%0.61933%0.328SS*.THydrogen-bonded Turntrans84.4-16.4-176.300000115.4V219V219-G221 PolarHBondContact O-N 3.34Å; V219-G221 VanDerWaalsContact O-N 3.13Å
222K97.9Very high92.2Very high129 Ų12959.5 Ų59.556%0.56135%0.351SS*.EExtended strand (participates in β ladder)trans-82.8136.3177.4-63.1-179.1178.6-179.30110.6K218 V219 N220 L251K218-K222 CarbonylContact C-O 3.57Å; K218-K222 WeakPolarHBondContact CA-O 3.16Å; V219-K222 PolarHBondContact N-O 3.05Å; V219-K222 PolarHBondContact O-N 2.98Å; N220-K222 VanDerWaalsContact C-N 3.3Å; N220-K222 PolarHBondContact O-N 3.38Å; K222-L251 HydrophobicContact CB-CD2 4.1Å; K222-L251 HydrophobicContact CD-CD2 4.08Å
223P97.1Very high91.2Very high99 Ų9965.3 Ų65.364%0.64339%0.386SS*.EExtended strand (participates in β ladder)trans-65140.3174.628.5-34.4000110.9
224C95.6Very high90.4Very high14 Ų1471.4 Ų71.410%0.09541%0.41CS..PPolyproline II helixtrans-90.8133.3177.2-171.30000111V217 L226 L251V217-C224 HydrophobicContact CB-CB 3.95Å; V217-C224 HydrophobicContact CG1-CB 3.94Å; V217-C224 WeakPolarHBondContact O-CB 3.36Å; V217-C224 PolarHBondContact O-N 3.43Å; C224-L226 PolarHBondContact O-N 2.91Å; C224-L251 HydrophobicContact CB-CD1 3.94Å
225N92.4Very high89.2Confident155 Ų15576.5 Ų76.583%0.82944%0.438SS*.  trans-70.6112.8172.1-70.1-32.1000109.5
226L92.9Very high88Confident32 Ų3280.6 Ų80.617%0.16848%0.481CS..PPolyproline II helixtrans-97156.7174.7-60.4177.6000109.7L215 V217 C224 I246L215-L226 HydrophobicContact CD2-CD1 4.27Å; L215-L226 HydrophobicContact CG-CD1 4.04Å; L215-L226 WeakPolarHBondContact O-CD1 3.41Å; V217-L226 HydrophobicContact CG2-CD2 4.32Å; C224-L226 PolarHBondContact O-N 2.91Å; L226-I246 HydrophobicContact CD2-CD1 3.49Å; L226-I246 VanDerWaalsContact CD2-CD1 3.49Å; L226-I246 HydrophobicContact CD2-CG1 4.11Å; L226-I246 HydrophobicContact CD2-CG2 4.41Å
227P89.2Confident87Confident37 Ų3781.6 Ų81.624%0.2449%0.485CS..PPolyproline II helixtrans-50145.9176.8-29.834.9000113.7F211 R241 P242F211-P227 HydrophobicContact CE2-CG 4.07Å; F211-P227 HydrophobicContact CZ-CG 4.23Å; P227-R241 HydrophobicContact CB-CG 4.03Å; P227-R241 VanDerWaalsContact O-CD 3.3Å; P227-R241 WeakPolarHBondContact O-CD 3.26Å; P227-R241 VanDerWaalsContact O-CG 3.29Å; P227-R241 WeakPolarHBondContact O-CG 3.12Å; P227-R241 PolarHBondContact O-NE 3.38Å; P227-P242 HydrophobicContact CB-CG 3.97Å
228G87.4Confident85.7Confident57 Ų5787.9 Ų87.959%0.58851%0.514SS*.PPolyproline II helixtrans-61.2151.3175.200000112.1P242G228-P242 WeakPolarHBondContact O-CD 3.47Å
229Y86.4Confident84.6Confident124 Ų12487.3 Ų87.349%0.48652%0.518SS..PPolyproline II helixtrans-67.7142.2173.5-69.3-74.5000110.9P239 R241Y229-P239 HydrophobicContact CD1-CB 3.98Å; Y229-P239 WeakPolarHBondContact CD1-O 3.17Å; Y229-P239 WeakPolarHBondContact CE1-O 3.17Å; Y229-P239 HydrophobicContact CG-CB 4.16Å; Y229-R241 HydrophobicContact CD1-CB 4Å; Y229-R241 HydrophobicContact CE1-CB 4.01Å; Y229-R241 PolarHBondContact OH-NH2 2.9Å
230L82Confident83.9Confident101 Ų10193 Ų9353%0.52954%0.543SS..PPolyproline II helixtrans-74.5145.9168.8-62.2177.8000109.6K240 P242L230-K240 PolarHBondContact N-O 3.46Å; L230-P242 HydrophobicContact CD1-CB 4.46Å; L230-P242 HydrophobicContact CD2-CG 4.41Å; L230-P242 HydrophobicContact CG-CG 4.42Å
231P78.4Confident83.5Confident108 Ų10893.7 Ų93.770%0.70154%0.544SS*.PPolyproline II helixtrans-60.2142.3174.125.6-34000110.5T233P231-T233 PolarHBondContact O-N 2.89Å
232P75.9Confident83.2Confident82 Ų8292.7 Ų92.753%0.53253%0.526SS..PPolyproline II helixtrans-59.9126.4179-23.634000111.5K234 P239P232-K234 VanDerWaalsContact C-N 3.28Å; P232-K234 PolarHBondContact O-N 2.89Å; P232-P239 HydrophobicContact CG-CG 4.36Å
233T73.3Confident83Confident126 Ų12688 Ų8877%0.77351%0.51SS*.SBendtrans-76.5-17.4178.854.60000113P231P231-T233 PolarHBondContact O-N 2.89Å
234K76.1Confident82.9Confident155 Ų15587.7 Ų87.767%0.67450%0.496SS*.SBendtrans-151.2151.2174.9-61.1-171.9179.8-174.40109.9P232 G236 V237P232-K234 VanDerWaalsContact C-N 3.28Å; P232-K234 PolarHBondContact O-N 2.89Å; K234-G236 PolarHBondContact O-N 3.44Å; K234-V237 HydrophobicContact CB-CG2 4Å; K234-V237 PolarHBondContact O-N 3.32Å
235N67.2Low82.9Confident173 Ų17388.7 Ų88.793%0.92550%0.502SS*.THydrogen-bonded Turntrans-57.9135.1174.4-64.1-1.5000110.6
236G71.3Confident83.1Confident90 Ų9081.7 Ų81.793%0.92847%0.465SS*.THydrogen-bonded Turntrans82.10.6179.700000116K234K234-G236 PolarHBondContact O-N 3.44Å
237V73.8Confident83.3Confident74 Ų7483.2 Ų83.245%0.44847%0.473SS..  trans-85.5125.4170-179.50000109.5K234K234-V237 HydrophobicContact CB-CG2 4Å; K234-V237 PolarHBondContact O-N 3.32Å
238E71.4Confident83.7Confident133 Ų13381.5 Ų81.562%0.62146%0.462SS*.  trans-61.5132.9177.2-170.5171.4-158.800110.7K240E238-K240 PolarHBondContact O-N 3.34Å
239P75.6Confident84.1Confident61 Ų6179 Ų7940%0.39644%0.435SS..  trans-60.9110.7-177.2-22.632.5000111.8Y229 P232Y229-P239 HydrophobicContact CD1-CB 3.98Å; Y229-P239 WeakPolarHBondContact CD1-O 3.17Å; Y229-P239 WeakPolarHBondContact CE1-O 3.17Å; Y229-P239 HydrophobicContact CG-CB 4.16Å; P232-P239 HydrophobicContact CG-CG 4.36Å
240K82.8Confident84.5Confident119 Ų11977.8 Ų77.852%0.51745%0.445SS..PPolyproline II helixtrans-85.3127177.3-170.2159.8-174.8170.70111.2H210 L230 E238H210-K240 PolarHBondContact NE2-NZ 3.35Å; L230-K240 PolarHBondContact N-O 3.46Å; E238-K240 PolarHBondContact O-N 3.34Å
241R89.4Confident85.2Confident39 Ų3974.7 Ų74.715%0.14743%0.429CS..PPolyproline II helixtrans-71.6132.2168.2-178.5178.3-73.6135.5-2.2109.9F211 L215 P227 Y229 S243F211-R241 HydrophobicContact CD2-CB 4.3Å; F211-R241 HydrophobicContact CD2-CG 3.78Å; F211-R241 HydrophobicContact CE2-CG 3.76Å; L215-R241 PolarHBondContact O-NH1 2.83Å; P227-R241 HydrophobicContact CB-CG 4.03Å; P227-R241 VanDerWaalsContact O-CD 3.3Å; P227-R241 WeakPolarHBondContact O-CD 3.26Å; P227-R241 VanDerWaalsContact O-CG 3.29Å; P227-R241 WeakPolarHBondContact O-CG 3.12Å; P227-R241 PolarHBondContact O-NE 3.38Å; Y229-R241 HydrophobicContact CD1-CB 4Å; Y229-R241 HydrophobicContact CE1-CB 4.01Å; Y229-R241 PolarHBondContact OH-NH2 2.9Å; R241-S243 PolarHBondContact O-N 3.32Å
242P90.9Very high86.1Confident38 Ų3870.2 Ų70.225%0.24740%0.399CS..PPolyproline II helixtrans-68.2120.9176.428.8-30.7000109.2F211 P227 G228 L230F211-P242 VanDerWaalsContact CE2-O 3.26Å; F211-P242 WeakPolarHBondContact CE2-O 3.36Å; P227-P242 HydrophobicContact CB-CG 3.97Å; G228-P242 WeakPolarHBondContact O-CD 3.47Å; L230-P242 HydrophobicContact CD1-CB 4.46Å; L230-P242 HydrophobicContact CD2-CG 4.41Å; L230-P242 HydrophobicContact CG-CG 4.42Å
243S94.3Very high87.1Confident32 Ų3271.3 Ų71.322%0.22439%0.393CS..PPolyproline II helixtrans-75.9126.9-178.7-57.30000110.6D209 F211 R241D209-S243 WeakPolarHBondContact O-CB 3.37Å; F211-S243 PolarHBondContact N-OG 3.44Å; R241-S243 PolarHBondContact O-N 3.32Å
244R94.4Very high88.1Confident92 Ų9268.4 Ų68.435%0.34737%0.372SS..  trans-155.8158.4-171.6-70.3-167168.4-145.2-15.9109.9F211 P366F211-R244 WeakPolarHBondContact CE1-O 3.21Å; F211-R244 WeakPolarHBondContact CZ-O 3.02Å; R244-P366 PolarHBondContact NH2-O 2.94Å
245P96.4Very high89Confident35 Ų3562.6 Ų62.623%0.22735%0.351CS..  trans-55.6147.3165.227.3-39000111.5L137 Q195 R197L137-P245 HydrophobicContact CD1-CB 3.89Å; L137-P245 HydrophobicContact CD1-CG 3.69Å; Q195-P245 VanDerWaalsContact CD-CB 3.46Å; Q195-P245 HydrophobicContact CG-CB 3.72Å; R197-P245 HydrophobicContact CG-CB 4.09Å
246I96.7Very high90.4Very high8 Ų857.5 Ų57.54%0.04133%0.327CS..EExtended strand (participates in β ladder)trans-116.9113.8-179.7-54.7156.2000108.2Q195 L196 F198 F211 L226 I248Q195-I246 WeakPolarHBondContact CA-O 3.46Å; L196-I246 HydrophobicContact CB-CB 4.37Å; L196-I246 HydrophobicContact CD2-CD1 4.29Å; L196-I246 HydrophobicContact CG-CD1 4.43Å; L196-I246 PolarHBondContact N-O 2.81Å; L196-I246 PolarHBondContact O-N 3.5Å; F198-I246 HydrophobicContact CD2-CD1 4.01Å; F198-I246 HydrophobicContact CE2-CD1 3.77Å; F211-I246 HydrophobicContact CE1-CD1 3.77Å; F211-I246 HydrophobicContact CE1-CG1 4.09Å; F211-I246 HydrophobicContact CZ-CD1 4.06Å; F211-I246 HydrophobicContact CZ-CG1 4.03Å; L226-I246 HydrophobicContact CD2-CD1 3.49Å; L226-I246 VanDerWaalsContact CD2-CD1 3.49Å; L226-I246 HydrophobicContact CD2-CG1 4.11Å; L226-I246 HydrophobicContact CD2-CG2 4.41Å; I246-I248 HydrophobicContact CG2-CG2 3.8Å; I246-I248 PolarHBondContact O-N 3.36Å
247N96.2Very high91.5Very high64 Ų6458.9 Ų58.934%0.34232%0.317SS..EExtended strand (participates in β ladder)trans-72.6116.9168.5177.7-4.1000108.5Q193 T249Q193-N247 PolarHBondContact OE1-ND2 2.82Å; N247-T249 VanDerWaalsContact OD1-CB 3.24Å; N247-T249 WeakPolarHBondContact OD1-CB 3.39Å; N247-T249 PolarHBondContact OD1-N 3.11Å; N247-T249 PolarHBondContact OD1-OG1 2.93Å
248I97.1Very high92.5Very high0 Ų058.4 Ų58.40%031%0.314CS..  trans-108.55179.362.8166000113.2V194 L196 V219 I246 S250 L251 V252 I262V194-I248 HydrophobicContact CB-CG1 4.08Å; V194-I248 HydrophobicContact CG1-CD1 3.83Å; V194-I248 HydrophobicContact CG1-CG1 3.68Å; V194-I248 WeakPolarHBondContact O-CG1 3.43Å; V194-I248 PolarHBondContact O-N 3.23Å; L196-I248 HydrophobicContact CB-CD1 4.23Å; L196-I248 HydrophobicContact CB-CG1 4.47Å; L196-I248 HydrophobicContact CB-CG2 3.99Å; L196-I248 HydrophobicContact CD2-CG2 4.33Å; V219-I248 HydrophobicContact CG1-CD1 4.43Å; V219-I248 HydrophobicContact CG2-CB 4.24Å; V219-I248 HydrophobicContact CG2-CD1 4.17Å; V219-I248 HydrophobicContact CG2-CG2 4.16Å; I246-I248 HydrophobicContact CG2-CG2 3.8Å; I246-I248 PolarHBondContact O-N 3.36Å; I248-S250 VanDerWaalsContact C-N 3.29Å; I248-S250 PolarHBondContact O-N 3.06Å; I248-S250 VanDerWaalsContact O-N 3.16Å; I248-L251 PolarHBondContact O-N 3.2Å; I248-V252 HydrophobicContact CD1-CG2 4.18Å; I248-V252 HydrophobicContact CG1-CG2 4.11Å; I248-V252 PolarHBondContact O-N 3.12Å; I248-I262 HydrophobicContact CD1-CD1 3.85Å
249T96.3Very high93.7Very high5 Ų555.3 Ų55.33%0.03131%0.306CS..G310 helixtrans-53.8-39.8-170.4-46.20000113.3I177 F190 Q193 V194 N247 L251 V252I177-T249 HydrophobicContact CG2-CG2 3.72Å; F190-T249 HydrophobicContact CD2-CG2 4.07Å; F190-T249 HydrophobicContact CE2-CG2 4.41Å; F190-T249 HydrophobicContact CG-CG2 4.18Å; Q193-T249 VanDerWaalsContact CA-OG1 3.3Å; Q193-T249 WeakPolarHBondContact CA-OG1 3.36Å; Q193-T249 WeakPolarHBondContact CB-OG1 3.27Å; V194-T249 PolarHBondContact N-OG1 2.8Å; N247-T249 VanDerWaalsContact OD1-CB 3.24Å; N247-T249 WeakPolarHBondContact OD1-CB 3.39Å; N247-T249 PolarHBondContact OD1-N 3.11Å; N247-T249 PolarHBondContact OD1-OG1 2.93Å; T249-L251 PolarHBondContact O-N 3.2Å; T249-V252 PolarHBondContact O-N 3.19Å
250S94.8Very high94.8Very high99 Ų9952.4 Ų52.469%0.69229%0.287SS*.G310 helixtrans-71.3-8.9178.956.20000114.9I248I248-S250 VanDerWaalsContact C-N 3.29Å; I248-S250 PolarHBondContact O-N 3.06Å; I248-S250 VanDerWaalsContact O-N 3.16Å
251L96.3Very high95.6Very high35 Ų3549 Ų4918%0.18328%0.276CS..G310 helixtrans-105.6-10.1174.1-54.1178.6000112.6V219 N220 K222 C224 I248 T249V219-L251 HydrophobicContact CB-CB 3.75Å; V219-L251 HydrophobicContact CB-CD1 4.07Å; V219-L251 HydrophobicContact CG1-CB 3.82Å; V219-L251 HydrophobicContact CG2-CD1 4.33Å; N220-L251 PolarHBondContact ND2-O 3.23Å; K222-L251 HydrophobicContact CB-CD2 4.1Å; K222-L251 HydrophobicContact CD-CD2 4.08Å; C224-L251 HydrophobicContact CB-CD1 3.94Å; I248-L251 PolarHBondContact O-N 3.2Å; T249-L251 PolarHBondContact O-N 3.2Å
252V97.2Very high96Very high15 Ų1547.2 Ų47.29%0.09127%0.269CS..SBendtrans-80.3135.4-179.51670000110.5F167 L169 V194 V219 I248 T249 L254 N260F167-V252 HydrophobicContact CZ-CG2 3.99Å; L169-V252 HydrophobicContact CD1-CG1 3.83Å; V194-V252 HydrophobicContact CB-CG2 4.15Å; V194-V252 HydrophobicContact CG1-CG2 4.18Å; V194-V252 HydrophobicContact CG2-CG1 4.35Å; V194-V252 HydrophobicContact CG2-CG2 4.27Å; V219-V252 HydrophobicContact CG1-CG2 4.45Å; I248-V252 HydrophobicContact CD1-CG2 4.18Å; I248-V252 HydrophobicContact CG1-CG2 4.11Å; I248-V252 PolarHBondContact O-N 3.12Å; T249-V252 PolarHBondContact O-N 3.19Å; V252-L254 HydrophobicContact CG1-CD2 4.13Å; V252-L254 PolarHBondContact O-N 3.2Å; V252-N260 WeakPolarHBondContact CA-OD1 3.49Å
253R96.9Very high96.4Very high105 Ų10546.8 Ų46.840%0.39627%0.266SS..  trans-74.8113.9166-62.7178.1-172.3121.42.4107.9N220 S255 P259 N260N220-R253 PolarHBondContact ND2-N 2.8Å; N220-R253 PolarHBondContact OD1-NH1 3.05Å; R253-S255 PolarHBondContact O-N 3.3Å; R253-P259 PolarHBondContact NH1-O 3.22Å; R253-P259 VanDerWaalsContact NH1-O 3.1Å; R253-N260 PolarHBondContact N-OD1 2.87Å; R253-N260 PolarHBondContact O-ND2 3.16Å
254L95.9Very high96.5Very high64 Ų6445.2 Ų45.234%0.33526%0.255SS..  trans-77.865.3171.1-58.9-176.8000109.9L169 V174 I177 V252L169-L254 HydrophobicContact CD1-CD2 4.05Å; V174-L254 HydrophobicContact CG1-CB 4.28Å; I177-L254 HydrophobicContact CB-CD2 4.1Å; I177-L254 HydrophobicContact CD1-CD2 3.77Å; I177-L254 HydrophobicContact CG2-CD1 4Å; I177-L254 HydrophobicContact CG2-CD2 3.76Å; V252-L254 HydrophobicContact CG1-CD2 4.13Å; V252-L254 PolarHBondContact O-N 3.2Å
255S94.9Very high96.6Very high33 Ų3341 Ų4123%0.23124%0.24CC..  trans-134.9145.9178.8178.30000110.5R253 T257R253-S255 PolarHBondContact O-N 3.3Å; S255-T257 PolarHBondContact OG-N 2.96Å; S255-T257 PolarHBondContact OG-OG1 3.42Å; S255-T257 VanDerWaalsContact OG-OG1 3.06Å
256T95.1Very high96.6Very high67 Ų6739.4 Ų39.441%0.41123%0.229SC..SBendtrans-91.5-16.3174.956.70000112.7P171 V174P171-T256 HydrophobicContact CB-CG2 4.19Å; P171-T256 HydrophobicContact CG-CG2 3.92Å; V174-T256 HydrophobicContact CG2-CG2 3.96Å
257T95.3Very high96.4Very high119 Ų11939.6 Ų39.673%0.7323%0.23SC*.SBendtrans-98.6-14.2-174.158.60000114S255S255-T257 PolarHBondContact OG-N 2.96Å; S255-T257 PolarHBondContact OG-OG1 3.42Å; S255-T257 VanDerWaalsContact OG-OG1 3.06Å
258V95.2Very high96Very high64 Ų6438 Ų3839%0.38823%0.225SC..SBendtrans-129.3121.3-177.2179.80000109.2
259P96.9Very high95.5Very high68 Ų6841.2 Ų41.244%0.44224%0.239SC..  trans-66.4153.5178.527.8-34.4000112.1R253R253-P259 PolarHBondContact NH1-O 3.22Å; R253-P259 VanDerWaalsContact NH1-O 3.1Å
260N98.4Very high94.9Very high0 Ų049.7 Ų49.70%028%0.283CS..EExtended strand (participates in β ladder)trans-88.5135.4169.2-76.3-81.3000109.5A166 F167 N220 V252 R253A166-N260 VanDerWaalsContact CA-O 3.23Å; A166-N260 WeakPolarHBondContact CA-O 3.29Å; F167-N260 HydrophobicContact CD1-CB 3.87Å; F167-N260 HydrophobicContact CD2-CB 4.27Å; F167-N260 HydrophobicContact CE1-CB 3.44Å; F167-N260 VanDerWaalsContact CE1-CB 3.44Å; F167-N260 HydrophobicContact CE2-CB 3.88Å; F167-N260 HydrophobicContact CG-CB 4.27Å; F167-N260 HydrophobicContact CZ-CB 3.45Å; F167-N260 VanDerWaalsContact CZ-CB 3.45Å; F167-N260 PolarHBondContact N-O 2.9Å; F167-N260 PolarHBondContact O-N 2.9Å; N220-N260 PolarHBondContact ND2-OD1 2.91Å; N220-N260 WeakPolarHBondContact OD1-CA 3.35Å; V252-N260 WeakPolarHBondContact CA-OD1 3.49Å; R253-N260 PolarHBondContact N-OD1 2.87Å; R253-N260 PolarHBondContact O-ND2 3.16Å
261T98.4Very high94.4Very high48 Ų4848.9 Ų48.929%0.29429%0.29SS..EExtended strand (participates in β ladder)trans-113.3140.1176.657.60000111.4Y165 A166 V219 N220Y165-T261 CarbonylContact O-C 3.59Å; Y165-T261 WeakPolarHBondContact O-CA 3.38Å; A166-T261 HydrophobicContact CB-CG2 4.41Å; V219-T261 CarbonylContact C-O 3.41Å; V219-T261 WeakPolarHBondContact CA-O 2.98Å; N220-T261 PolarHBondContact N-O 2.93Å; N220-T261 PolarHBondContact OD1-N 3.07Å
262I98.6Very high94.1Very high0 Ų052.9 Ų52.90%030%0.303CS..EExtended strand (participates in β ladder)trans-123.3119.1173.7-52.6-179000107.5C164 Y165 F167 L196 V217 K218 V219 I248 V264 V278C164-I262 WeakPolarHBondContact CA-O 3.42Å; Y165-I262 PolarHBondContact N-O 3.18Å; Y165-I262 PolarHBondContact O-N 3.23Å; F167-I262 HydrophobicContact CD1-CD1 4.34Å; F167-I262 HydrophobicContact CE1-CD1 3.92Å; F167-I262 HydrophobicContact CE1-CG1 4.1Å; L196-I262 HydrophobicContact CD1-CD1 4.43Å; L196-I262 HydrophobicContact CD2-CG2 4.4Å; V217-I262 HydrophobicContact CG1-CG2 3.95Å; K218-I262 CarbonylContact O-C 3.55Å; K218-I262 WeakPolarHBondContact O-CA 3.47Å; V219-I262 HydrophobicContact CG2-CG1 4.38Å; V219-I262 HydrophobicContact CG2-CG2 4.48Å; I248-I262 HydrophobicContact CD1-CD1 3.85Å; I262-V264 HydrophobicContact CG2-CG2 3.85Å; I262-V278 HydrophobicContact CD1-CG2 3.61Å
263V98.3Very high93.8Very high29 Ų2956.6 Ų56.618%0.17633%0.328CS..EExtended strand (participates in β ladder)trans-101.1122.6168.2-175.70000107.6E162 A163 C164 V217 K218E162-V263 HydrophobicContact CG-CG1 3.42Å; E162-V263 VanDerWaalsContact CG-CG1 3.42Å; A163-V263 WeakPolarHBondContact O-CA 3.41Å; C164-V263 HydrophobicContact CB-CG2 4.47Å; V217-V263 CarbonylContact C-O 3.26Å; V217-V263 WeakPolarHBondContact CA-O 3.33Å; K218-V263 HydrophobicContact CB-CB 4.33Å; K218-V263 PolarHBondContact N-O 2.87Å; K218-V263 PolarHBondContact O-N 3.29Å
264V97.9Very high93.7Very high0 Ų051.9 Ų51.90%031%0.311CS..EExtended strand (participates in β ladder)trans-111.3127.3177.1-175.90000108L152 E162 A163 Y165 F198 L215 I262 W266 M276L152-V264 HydrophobicContact CD1-CG1 4.4Å; L152-V264 HydrophobicContact CD2-CG1 4.48Å; E162-V264 CarbonylContact C-O 3.58Å; E162-V264 WeakPolarHBondContact CA-O 3.46Å; A163-V264 PolarHBondContact N-O 3.5Å; A163-V264 PolarHBondContact O-N 2.63Å; Y165-V264 HydrophobicContact CD2-CG2 4.2Å; Y165-V264 HydrophobicContact CE2-CB 4.46Å; Y165-V264 HydrophobicContact CE2-CG2 4.24Å; F198-V264 HydrophobicContact CE1-CG1 3.72Å; F198-V264 HydrophobicContact CE1-CG2 4.15Å; F198-V264 HydrophobicContact CZ-CG1 3.88Å; F198-V264 HydrophobicContact CZ-CG2 3.98Å; L215-V264 HydrophobicContact CD1-CG1 3.68Å; I262-V264 HydrophobicContact CG2-CG2 3.85Å; V264-W266 HydrophobicContact CG1-CE3 3.99Å; V264-W266 HydrophobicContact CG1-CZ3 4.45Å; V264-W266 WeakPolarHBondContact O-CZ3 3.25Å; V264-M276 HydrophobicContact CG2-SD 3.79Å
265S96.2Very high93.7Very high3 Ų348.8 Ų48.82%0.02130%0.295CS..EExtended strand (participates in β ladder)trans-122.5135.5175.7-13.70000109.9F160 Q161 E162 L215 C216F160-S265 VanDerWaalsContact CZ-CB 3.42Å; Q161-S265 CarbonylContact O-C 3.59Å; Q161-S265 WeakPolarHBondContact O-CA 3.2Å; E162-S265 WeakPolarHBondContact OE2-CB 3.45Å; E162-S265 PolarHBondContact OE2-OG 3.16Å; L215-S265 WeakPolarHBondContact CA-O 3.24Å; C216-S265 PolarHBondContact N-O 2.9Å; C216-S265 PolarHBondContact O-N 3.22Å
266W95.4Very high93.8Very high2 Ų247.2 Ų47.21%0.00828%0.284CS..EExtended strand (participates in β ladder)trans-151.3172.8-175.970.5104.4000112.8L152 V153 F160 Q161 A163 P212 V264L152-W266 HydrophobicContact CB-CH2 3.92Å; L152-W266 HydrophobicContact CB-CZ2 3.63Å; L152-W266 HydrophobicContact CB-CZ3 4.46Å; L152-W266 HydrophobicContact CD1-CD2 4.24Å; L152-W266 HydrophobicContact CD1-CE3 4.39Å; V153-W266 WeakPolarHBondContact O-CZ2 3.45Å; F160-W266 WeakPolarHBondContact CA-O 3.48Å; Q161-W266 HydrophobicContact CB-CD2 3.76Å; Q161-W266 VanDerWaalsContact CB-CE2 3.45Å; Q161-W266 HydrophobicContact CB-CE3 4.09Å; Q161-W266 HydrophobicContact CB-CG 4.36Å; Q161-W266 HydrophobicContact CB-CH2 3.85Å; Q161-W266 HydrophobicContact CB-CZ2 3.5Å; Q161-W266 HydrophobicContact CB-CZ3 4.14Å; Q161-W266 HydrophobicContact CG-CZ2 4.14Å; Q161-W266 PolarHBondContact N-O 2.83Å; Q161-W266 PolarHBondContact O-N 2.88Å; A163-W266 HydrophobicContact CB-CH2 3.83Å; A163-W266 HydrophobicContact CB-CZ3 3.76Å; P212-W266 HydrophobicContact CB-CB 3.6Å; P212-W266 HydrophobicContact CB-CG 3.95Å; P212-W266 HydrophobicContact CG-CB 4.37Å; P212-W266 HydrophobicContact CG-CG 4.49Å; V264-W266 HydrophobicContact CG1-CE3 3.99Å; V264-W266 HydrophobicContact CG1-CZ3 4.45Å; V264-W266 WeakPolarHBondContact O-CZ3 3.25Å
267T92.6Very high94Very high11 Ų1144 Ų447%0.06726%0.264CS..EExtended strand (participates in β ladder)trans-96.6132.6168.1-68.20000110.5R159 P213 N214R159-T267 HydrophobicContact CG-CG2 3.94Å; R159-T267 WeakPolarHBondContact O-CA 3.43Å; P213-T267 HydrophobicContact CG-CG2 4.4Å; P213-T267 VanDerWaalsContact CG-O 3.23Å; P213-T267 WeakPolarHBondContact CG-O 3.5Å; P213-T267 PolarHBondContact O-N 2.95Å; N214-T267 PolarHBondContact ND2-OG1 3.26Å
268S89.3Confident94.1Very high32 Ų3238.4 Ų38.422%0.22423%0.229CC..  trans-73138.7174.5-1670000111.3S154 R159S154-S268 VanDerWaalsContact CB-OG 3.28Å; S154-S268 WeakPolarHBondContact CB-OG 3.38Å; S154-S268 PolarHBondContact OG-OG 3.2Å; R159-S268 PolarHBondContact O-N 2.87Å
269E86.2Confident94.3Very high66 Ų6636 Ų3631%0.30821%0.213SC..BIsolated β-bridgetrans-118.5125.7175.6-100.2-173.5-126.200110.7P213 G271 R272P213-E269 HydrophobicContact CG-CG 4.05Å; P213-E269 WeakPolarHBondContact CG-OE1 3.43Å; E269-G271 PolarHBondContact O-N 3.16Å; E269-G271 VanDerWaalsContact O-N 3.15Å; E269-R272 HydrophobicContact CB-CB 4.2Å; E269-R272 PolarHBondContact O-N 2.93Å; E269-R272 IonicContact OE1-NH1 3.23Å; E269-R272 PolarHBondContact OE1-NH1 3.34Å; E269-R272 WeakPolarHBondContact OE2-CD 3.33Å; E269-R272 IonicContact OE2-CZ 3.54Å; E269-R272 VanDerWaalsContact OE2-CZ 3.25Å; E269-R272 IonicContact OE2-NE 3.83Å; E269-R272 IonicContact OE2-NH1 2.9Å; E269-R272 PolarHBondContact OE2-NH1 3.3Å
270I83.9Confident94.4Very high183 Ų18332.8 Ų32.894%0.93819%0.193SC*.THydrogen-bonded Turntrans-62.8119.5-178.4-63.4162.7000109.8
271G84.2Confident94.4Very high83 Ų8332.8 Ų32.886%0.85619%0.193SC*.THydrogen-bonded Turntrans85.79.4-179.900000115E269E269-G271 PolarHBondContact O-N 3.16Å; E269-G271 VanDerWaalsContact O-N 3.15Å
272R88.6Confident94.3Very high119 Ų11935.9 Ų35.945%0.44920%0.199SC..BIsolated β-bridgetrans-123124.5167.4-67.3-171.1-177148.90.9111.1E269 F274E269-R272 HydrophobicContact CB-CB 4.2Å; E269-R272 PolarHBondContact O-N 2.93Å; E269-R272 IonicContact OE1-NH1 3.23Å; E269-R272 PolarHBondContact OE1-NH1 3.34Å; E269-R272 WeakPolarHBondContact OE2-CD 3.33Å; E269-R272 IonicContact OE2-CZ 3.54Å; E269-R272 VanDerWaalsContact OE2-CZ 3.25Å; E269-R272 IonicContact OE2-NE 3.83Å; E269-R272 IonicContact OE2-NH1 2.9Å; E269-R272 PolarHBondContact OE2-NH1 3.3Å; R272-F274 HydrophobicContact CB-CE2 3.83Å; R272-F274 HydrophobicContact CB-CZ 4.18Å
273C91.2Very high94.2Very high92 Ų9239.7 Ų39.762%0.62222%0.217SC*.  trans-101.5145.5164.7-64.60000108.5S201S201-C273 PolarHBondContact N-O 3.49Å
274F95.3Very high94.1Very high6 Ų639.6 Ų39.63%0.02621%0.214CC..EExtended strand (participates in β ladder)trans-122.6152.1179-65.7-92.1000109.7L152 C199 L200 S201 P212 R272L152-F274 HydrophobicContact CB-CB 4.37Å; L152-F274 WeakPolarHBondContact CB-O 3.16Å; L152-F274 HydrophobicContact CD1-CB 3.96Å; L152-F274 HydrophobicContact CG-CB 4.32Å; L152-F274 PolarHBondContact N-O 2.92Å; C199-F274 CarbonylContact O-C 3.53Å; C199-F274 VanDerWaalsContact O-CA 3.28Å; C199-F274 WeakPolarHBondContact O-CA 3.45Å; L200-F274 HydrophobicContact CD2-CD1 3.93Å; L200-F274 HydrophobicContact CD2-CE1 3.58Å; L200-F274 HydrophobicContact CD2-CZ 4.07Å; S201-F274 WeakPolarHBondContact OG-CA 3.22Å; S201-F274 PolarHBondContact OG-N 3.14Å; S201-F274 PolarHBondContact OG-O 2.83Å; S201-F274 VanDerWaalsContact OG-O 3.11Å; P212-F274 HydrophobicContact CB-CD1 4.36Å; P212-F274 HydrophobicContact CB-CD2 4.35Å; P212-F274 HydrophobicContact CB-CE1 4.49Å; P212-F274 HydrophobicContact CB-CE2 4.48Å; P212-F274 HydrophobicContact CB-CG 4.29Å; P212-F274 HydrophobicContact CG-CB 4Å; P212-F274 HydrophobicContact CG-CD1 3.9Å; P212-F274 HydrophobicContact CG-CD2 4.34Å; P212-F274 HydrophobicContact CG-CE1 4.45Å; P212-F274 HydrophobicContact CG-CG 3.84Å; R272-F274 HydrophobicContact CB-CE2 3.83Å; R272-F274 HydrophobicContact CB-CZ 4.18Å
275S96.5Very high94Very high0 Ų041.9 Ų41.90%023%0.231CC..EExtended strand (participates in β ladder)trans-127.2148.2174.4-66.20000110.5T150 F198 C199 S201T150-S275 CarbonylContact O-C 3.54Å; T150-S275 WeakPolarHBondContact O-CA 3.24Å; T150-S275 WeakPolarHBondContact O-CB 3.45Å; F198-S275 CarbonylContact C-O 3.49Å; F198-S275 WeakPolarHBondContact CA-O 3.3Å; C199-S275 PolarHBondContact N-O 2.95Å; C199-S275 PolarHBondContact O-N 2.89Å; S201-S275 PolarHBondContact OG-N 3.19Å; S201-S275 PolarHBondContact OG-OG 3.29Å
276M97.4Very high94.1Very high0 Ų042.3 Ų42.30%023%0.234CC..EExtended strand (participates in β ladder)trans-114.4156.8169.473.6161.5-127.500111.6I147 P149 T150 L152 Y165 L196 R197 F198 V264 V278I147-M276 HydrophobicContact CD1-CE 3.84Å; I147-M276 HydrophobicContact CG2-CE 4.13Å; P149-M276 WeakPolarHBondContact CA-O 3.31Å; T150-M276 PolarHBondContact N-O 2.96Å; T150-M276 PolarHBondContact O-N 3.35Å; L152-M276 HydrophobicContact CD2-CB 4.05Å; L152-M276 HydrophobicContact CD2-CG 3.82Å; L152-M276 HydrophobicContact CD2-SD 4.28Å; Y165-M276 HydrophobicContact CD1-CE 3.81Å; Y165-M276 HydrophobicContact CD1-SD 4.39Å; Y165-M276 HydrophobicContact CD2-CE 3.63Å; Y165-M276 HydrophobicContact CD2-SD 3.49Å; Y165-M276 WeakPolarHBondContact CD2-SD 3.38Å; Y165-M276 HydrophobicContact CE1-CE 4.4Å; Y165-M276 HydrophobicContact CE1-SD 4.49Å; Y165-M276 HydrophobicContact CE2-CE 4.23Å; Y165-M276 HydrophobicContact CE2-CG 4.43Å; Y165-M276 HydrophobicContact CE2-SD 3.62Å; Y165-M276 HydrophobicContact CG-CE 3.39Å; Y165-M276 HydrophobicContact CG-SD 3.91Å; L196-M276 HydrophobicContact CD1-SD 4.26Å; R197-M276 VanDerWaalsContact O-CA 3.31Å; R197-M276 WeakPolarHBondContact O-CA 3.19Å; F198-M276 HydrophobicContact CD1-CB 3.59Å; F198-M276 HydrophobicContact CE1-CB 3.52Å; F198-M276 HydrophobicContact CE1-CG 4.48Å; F198-M276 HydrophobicContact CE1-SD 4.39Å; F198-M276 HydrophobicContact CZ-CB 4.42Å; V264-M276 HydrophobicContact CG2-SD 3.79Å; M276-V278 HydrophobicContact CE-CG2 4.21Å
277A98.1Very high94.2Very high0 Ų045.2 Ų45.20%026%0.258CS..EExtended strand (participates in β ladder)trans-145.6152171.500000110L134 I147 P149 R197 Y279L134-A277 HydrophobicContact CD1-CB 4.05Å; I147-A277 CarbonylContact O-C 3.58Å; I147-A277 WeakPolarHBondContact O-CA 3.34Å; P149-A277 HydrophobicContact CG-CB 4.22Å; R197-A277 PolarHBondContact N-O 3.46Å; R197-A277 PolarHBondContact O-N 3.48Å; A277-Y279 HydrophobicContact CB-CD2 4.3Å; A277-Y279 HydrophobicContact CB-CE2 3.49Å; A277-Y279 VanDerWaalsContact CB-CE2 3.49Å
278V98.5Very high94.5Very high0 Ų046.4 Ų46.40%027%0.265CS..EExtended strand (participates in β ladder)trans-124.5123.7174.5-174.80000108.4L146 I147 F167 V194 Q195 L196 I262 M276L146-V278 HydrophobicContact CB-CB 4.36Å; L146-V278 HydrophobicContact CB-CG1 4.11Å; L146-V278 HydrophobicContact CD1-CG1 4.29Å; L146-V278 PolarHBondContact N-O 3.13Å; I147-V278 HydrophobicContact CB-CB 3.88Å; I147-V278 HydrophobicContact CB-CG2 3.97Å; I147-V278 HydrophobicContact CD1-CB 4.41Å; I147-V278 HydrophobicContact CD1-CG2 3.87Å; I147-V278 HydrophobicContact CG1-CB 4.03Å; I147-V278 HydrophobicContact CG1-CG2 4.02Å; I147-V278 PolarHBondContact N-O 3.07Å; I147-V278 PolarHBondContact O-N 3.35Å; F167-V278 HydrophobicContact CE1-CG1 4.49Å; V194-V278 HydrophobicContact CG1-CG1 3.57Å; Q195-V278 WeakPolarHBondContact O-CA 3.43Å; L196-V278 HydrophobicContact CD1-CG2 3.86Å; I262-V278 HydrophobicContact CD1-CG2 3.61Å; M276-V278 HydrophobicContact CE-CG2 4.21Å
279Y98.7Very high94.9Very high13 Ų1344.9 Ų44.95%0.05126%0.255CS..EExtended strand (participates in β ladder)trans-115.7144.3-178.4-62.9-76.3000110.5L134 V142 D144 E145 Q195 R197 A277L134-Y279 HydrophobicContact CD1-CE2 4.47Å; V142-Y279 HydrophobicContact CG1-CD1 3.71Å; V142-Y279 HydrophobicContact CG1-CE1 4.41Å; V142-Y279 HydrophobicContact CG1-CG 4.44Å; V142-Y279 HydrophobicContact CG2-CD1 4.35Å; D144-Y279 WeakPolarHBondContact O-CA 3.39Å; E145-Y279 HydrophobicContact CB-CE1 4.49Å; E145-Y279 HydrophobicContact CG-CD1 4.11Å; E145-Y279 HydrophobicContact CG-CE1 3.85Å; E145-Y279 WeakPolarHBondContact OE1-CE1 3.37Å; Q195-Y279 PolarHBondContact N-O 3.4Å; Q195-Y279 PolarHBondContact O-N 2.87Å; R197-Y279 HydrophobicContact CG-CD2 4.41Å; A277-Y279 HydrophobicContact CB-CD2 4.3Å; A277-Y279 HydrophobicContact CB-CE2 3.49Å; A277-Y279 VanDerWaalsContact CB-CE2 3.49Å
280L98.6Very high95.5Very high1 Ų142.2 Ų42.21%0.00524%0.242CC..EExtended strand (participates in β ladder)trans-85.5125.2155.8-172.867000107.1L143 D144 L146 Q173 I177 V192 V194L143-L280 HydrophobicContact CB-CB 4.42Å; L143-L280 HydrophobicContact CB-CD2 4.28Å; L143-L280 HydrophobicContact CB-CG 4.22Å; L143-L280 HydrophobicContact CD1-CD2 4.41Å; L143-L280 HydrophobicContact CD1-CG 4.3Å; L143-L280 PolarHBondContact N-O 2.98Å; D144-L280 HydrophobicContact CB-CB 3.94Å; D144-L280 HydrophobicContact CB-CD2 4.45Å; D144-L280 PolarHBondContact N-O 2.89Å; D144-L280 PolarHBondContact O-N 3.34Å; L146-L280 HydrophobicContact CD1-CB 4.09Å; L146-L280 HydrophobicContact CD2-CB 4.48Å; L146-L280 HydrophobicContact CG-CB 4.16Å; Q173-L280 HydrophobicContact CB-CD2 3.97Å; Q173-L280 HydrophobicContact CG-CD2 3.7Å; I177-L280 HydrophobicContact CD1-CD1 3.83Å; I177-L280 HydrophobicContact CG1-CD1 3.83Å; V192-L280 HydrophobicContact CG1-CD1 3.76Å; V192-L280 HydrophobicContact CG1-CG 4.1Å; V194-L280 HydrophobicContact CG2-CD1 4.34Å
281V98.5Very high96.2Very high1 Ų139.9 Ų39.91%0.00623%0.228CC..EExtended strand (participates in β ladder)trans-131.3151.1-175.6-58.80000111.9Y140 D141 V142 V192 Q193 Q195Y140-V281 HydrophobicContact CD1-CB 4.28Å; Y140-V281 HydrophobicContact CD1-CG2 3.68Å; Y140-V281 HydrophobicContact CE1-CG2 4.4Å; Y140-V281 HydrophobicContact CG-CG2 4.48Å; D141-V281 CarbonylContact O-C 3.58Å; D141-V281 WeakPolarHBondContact O-CA 3.27Å; D141-V281 WeakPolarHBondContact O-CB 3.41Å; V142-V281 HydrophobicContact CG2-CG1 4.37Å; V192-V281 CarbonylContact C-O 3.5Å; V192-V281 VanDerWaalsContact CA-O 3.31Å; V192-V281 WeakPolarHBondContact CA-O 3.46Å; Q193-V281 HydrophobicContact CB-CG2 4Å; Q193-V281 PolarHBondContact N-O 2.69Å; Q193-V281 PolarHBondContact O-N 3.19Å; Q195-V281 HydrophobicContact CB-CG1 4.18Å; Q195-V281 HydrophobicContact CB-CG2 3.8Å
282R97.5Very high96.8Very high112 Ų11240 Ų4042%0.42320%0.202SC..EExtended strand (participates in β ladder)trans-100.8120163-179.5173.6-68.6-127.2-2.1109.2Y140 D141 L143 A191 V192Y140-R282 WeakPolarHBondContact CA-O 3.48Å; D141-R282 HydrophobicContact CB-CB 4.47Å; D141-R282 PolarHBondContact N-O 3.3Å; D141-R282 PolarHBondContact O-N 2.86Å; L143-R282 HydrophobicContact CD1-CB 4.26Å; L143-R282 HydrophobicContact CD2-CB 4.15Å; L143-R282 HydrophobicContact CG-CB 4.34Å; A191-R282 CarbonylContact O-C 3.55Å; A191-R282 WeakPolarHBondContact O-CA 3.34Å; V192-R282 HydrophobicContact CG2-CB 4.46Å
283Q95.8Very high97.3Very high80 Ų8034.5 Ų34.537%0.37418%0.181SC..EExtended strand (participates in β ladder)trans-68.2136169.1-174173.2-19.200109.2F139 Y140 A191F139-Q283 CarbonylContact O-C 3.56Å; F139-Q283 WeakPolarHBondContact O-CA 3.36Å; Y140-Q283 HydrophobicContact CD1-CB 4.11Å; Y140-Q283 HydrophobicContact CD1-CG 4.42Å; Y140-Q283 HydrophobicContact CE1-CB 3.88Å; Y140-Q283 HydrophobicContact CE1-CG 3.92Å; A191-Q283 PolarHBondContact O-N 3.48Å
284Q96Very high97.6Very high27 Ų2736.8 Ų36.813%0.12618%0.177CC..  trans-113.8150179.8-66.7-63.7-7.400110.6F139 D141 L289F139-Q284 WeakPolarHBondContact CD1-O 3.47Å; F139-Q284 PolarHBondContact O-N 2.99Å; D141-Q284 PolarHBondContact OD2-NE2 3.01Å; Q284-L289 HydrophobicContact CB-CD1 3.74Å
285S96.1Very high97.7Very high49 Ų4940.5 Ų40.534%0.34321%0.209SC..  trans-90.9162178.167.90000112.7A287 V288 L289 E363S285-A287 PolarHBondContact O-N 2.97Å; S285-V288 PolarHBondContact O-N 2.96Å; S285-L289 VanDerWaalsContact O-CD1 3.3Å; S285-L289 WeakPolarHBondContact O-CD1 3.29Å; S285-L289 PolarHBondContact O-N 2.85Å; S285-L289 VanDerWaalsContact O-N 3.08Å; S285-E363 WeakPolarHBondContact CA-OE1 3.47Å
286S97.6Very high97.7Very high12 Ų1245.3 Ų45.38%0.08423%0.23CC..Hα-helixtrans-53.9-36.9172.749.70000112.6V288 L289 L290 E363S286-V288 PolarHBondContact O-N 3.3Å; S286-L289 PolarHBondContact O-N 3.27Å; S286-L290 WeakPolarHBondContact O-CB 3.39Å; S286-L290 WeakPolarHBondContact O-CD1 3.19Å; S286-L290 VanDerWaalsContact O-CG 3.22Å; S286-L290 WeakPolarHBondContact O-CG 3.39Å; S286-L290 PolarHBondContact O-N 3.08Å; S286-E363 WeakPolarHBondContact CB-OE2 3.35Å; S286-E363 PolarHBondContact N-OE1 2.86Å; S286-E363 PolarHBondContact OG-OE2 3.36Å
287A97.8Very high97.7Very high62 Ų6247.2 Ų47.251%0.51225%0.249SC..Hα-helixtrans-59.3-42.9174.400000112.7S285 L290 Q291S285-A287 PolarHBondContact O-N 2.97Å; A287-L290 WeakPolarHBondContact O-CB 3.48Å; A287-L290 PolarHBondContact O-N 3.46Å; A287-Q291 PolarHBondContact O-N 2.77Å
288V98.1Very high97.7Very high37 Ų3751.8 Ų51.822%0.22427%0.273CS..Hα-helixtrans-68.6-40.2176.6177.30000111.1S285 S286 L290 Q291 R292S285-V288 PolarHBondContact O-N 2.96Å; S286-V288 PolarHBondContact O-N 3.3Å; V288-L290 VanDerWaalsContact C-N 3.3Å; V288-L290 PolarHBondContact O-N 2.95Å; V288-Q291 PolarHBondContact O-N 3.36Å; V288-R292 HydrophobicContact CG1-CG 4.46Å; V288-R292 WeakPolarHBondContact O-CB 3.45Å; V288-R292 VanDerWaalsContact O-CG 3.27Å; V288-R292 WeakPolarHBondContact O-CG 3.3Å; V288-R292 PolarHBondContact O-N 3.01Å
289L98.4Very high97.6Very high0 Ų055.7 Ų55.70%029%0.287CS..Hα-helixtrans-66.8-31.6175.7-8673.9000112.5P138 F139 Q284 S285 S286 L293 I359 W368 Y379P138-L289 HydrophobicContact CB-CD2 3.66Å; P138-L289 WeakPolarHBondContact O-CD1 3.2Å; F139-L289 HydrophobicContact CD1-CD1 3.74Å; F139-L289 HydrophobicContact CD1-CD2 3.68Å; F139-L289 HydrophobicContact CD1-CG 4.33Å; F139-L289 HydrophobicContact CD2-CD2 4.34Å; F139-L289 HydrophobicContact CE1-CD1 4.09Å; F139-L289 HydrophobicContact CE1-CD2 3.54Å; F139-L289 HydrophobicContact CE1-CG 4.31Å; F139-L289 HydrophobicContact CE2-CD2 4.21Å; F139-L289 HydrophobicContact CG-CD2 4.08Å; F139-L289 HydrophobicContact CZ-CD2 3.8Å; Q284-L289 HydrophobicContact CB-CD1 3.74Å; S285-L289 VanDerWaalsContact O-CD1 3.3Å; S285-L289 WeakPolarHBondContact O-CD1 3.29Å; S285-L289 PolarHBondContact O-N 2.85Å; S285-L289 VanDerWaalsContact O-N 3.08Å; S286-L289 PolarHBondContact O-N 3.27Å; L289-L293 WeakPolarHBondContact O-CB 3.29Å; L289-L293 PolarHBondContact O-N 3.45Å; L289-I359 HydrophobicContact CB-CD1 4.4Å; L289-I359 HydrophobicContact CB-CG2 3.75Å; L289-I359 HydrophobicContact CD2-CG2 4.22Å; L289-W368 HydrophobicContact CD2-CH2 4.47Å; L289-Y379 HydrophobicContact CB-CE2 3.9Å; L289-Y379 HydrophobicContact CD2-CD2 4.04Å; L289-Y379 HydrophobicContact CD2-CE2 4.1Å; L289-Y379 HydrophobicContact CD2-CG 4.44Å; L289-Y379 HydrophobicContact CG-CE2 4.14Å; L289-Y379 PolarHBondContact O-OH 3.38Å
290L98.3Very high97.6Very high10 Ų1058.7 Ų58.75%0.05230%0.304CS..Hα-helixtrans-69.1-42.7172.6-76.8158.8000112.1S286 A287 V288 L293 R294 I340 A355 T356 I359S286-L290 WeakPolarHBondContact O-CB 3.39Å; S286-L290 WeakPolarHBondContact O-CD1 3.19Å; S286-L290 VanDerWaalsContact O-CG 3.22Å; S286-L290 WeakPolarHBondContact O-CG 3.39Å; S286-L290 PolarHBondContact O-N 3.08Å; A287-L290 WeakPolarHBondContact O-CB 3.48Å; A287-L290 PolarHBondContact O-N 3.46Å; V288-L290 VanDerWaalsContact C-N 3.3Å; V288-L290 PolarHBondContact O-N 2.95Å; L290-L293 PolarHBondContact O-N 3.02Å; L290-R294 WeakPolarHBondContact O-CG 3.3Å; L290-R294 PolarHBondContact O-N 3.23Å; L290-I340 HydrophobicContact CD2-CD1 3.94Å; L290-A355 HydrophobicContact CD2-CB 3.91Å; L290-T356 HydrophobicContact CD1-CG2 3.83Å; L290-I359 HydrophobicContact CD2-CD1 3.85Å; L290-I359 HydrophobicContact CG-CB 4.48Å; L290-I359 HydrophobicContact CG-CD1 3.99Å
291Q98.4Very high97.4Very high134 Ų13459.6 Ų59.663%0.62631%0.31SS*.Hα-helixtrans-60.8-45.7172.7-173.3-177.84.600110.9A287 V288 L293 R294 A295A287-Q291 PolarHBondContact O-N 2.77Å; V288-Q291 PolarHBondContact O-N 3.36Å; Q291-L293 VanDerWaalsContact C-N 3.35Å; Q291-L293 PolarHBondContact O-N 2.87Å; Q291-R294 PolarHBondContact O-N 3.09Å; Q291-A295 WeakPolarHBondContact O-CB 3.39Å; Q291-A295 PolarHBondContact O-N 2.91Å
292R98.3Very high97.3Very high86 Ų8663.2 Ų63.233%0.32533%0.33SS..Hα-helixtrans-61.9-37.6174.8-72.3170.4-177.9-164.6-2.6112.8D141 V288 A295 K296 Y379D141-R292 IonicContact OD1-CZ 2.82Å; D141-R292 IonicContact OD1-NH1 3.72Å; D141-R292 PolarHBondContact OD1-NH1 3.13Å; D141-R292 IonicContact OD1-NH2 3.2Å; D141-R292 PolarHBondContact OD1-NH2 2.87Å; D141-R292 IonicContact OD2-CZ 2.96Å; D141-R292 IonicContact OD2-NH1 3.75Å; D141-R292 IonicContact OD2-NH2 2.71Å; D141-R292 PolarHBondContact OD2-NH2 3.14Å; V288-R292 HydrophobicContact CG1-CG 4.46Å; V288-R292 WeakPolarHBondContact O-CB 3.45Å; V288-R292 VanDerWaalsContact O-CG 3.27Å; V288-R292 WeakPolarHBondContact O-CG 3.3Å; V288-R292 PolarHBondContact O-N 3.01Å; R292-A295 PolarHBondContact O-N 2.97Å; R292-K296 PolarHBondContact O-N 3.32Å; R292-K296 VanDerWaalsContact O-N 3.11Å; R292-Y379 WeakPolarHBondContact CB-OH 3.47Å
293L98.4Very high97.2Very high2 Ų262.4 Ų62.41%0.0133%0.33CS..Hα-helixtrans-68.3-43.2176.7179.660.9000111.3L289 L290 Q291 A295 K296 A355 I359 Y379 L382 I384L289-L293 WeakPolarHBondContact O-CB 3.29Å; L289-L293 PolarHBondContact O-N 3.45Å; L290-L293 PolarHBondContact O-N 3.02Å; Q291-L293 VanDerWaalsContact C-N 3.35Å; Q291-L293 PolarHBondContact O-N 2.87Å; L293-A295 VanDerWaalsContact C-N 3.28Å; L293-A295 PolarHBondContact O-N 3.22Å; L293-K296 HydrophobicContact CD1-CD 4.12Å; L293-K296 WeakPolarHBondContact O-CB 3.48Å; L293-K296 PolarHBondContact O-N 3.47Å; L293-A355 HydrophobicContact CD2-CB 3.77Å; L293-I359 HydrophobicContact CD2-CD1 4.02Å; L293-Y379 HydrophobicContact CB-CE2 4.31Å; L293-Y379 PolarHBondContact N-OH 2.85Å; L293-L382 HydrophobicContact CD1-CB 4.02Å; L293-L382 WeakPolarHBondContact CD1-O 3.41Å; L293-I384 HydrophobicContact CD2-CG1 4.43Å; L293-I384 HydrophobicContact CG-CD1 4.3Å; L293-I384 HydrophobicContact CG-CG1 4.1Å
294R97.8Very high97.1Very high140 Ų14058.6 Ų58.653%0.52831%0.313SS..Hα-helixtrans-60-39.3171.2-71.4176.2174.9124.3-11.8111.6L290 Q291 K296 G297 I384L290-R294 WeakPolarHBondContact O-CG 3.3Å; L290-R294 PolarHBondContact O-N 3.23Å; Q291-R294 PolarHBondContact O-N 3.09Å; R294-K296 VanDerWaalsContact C-N 3.28Å; R294-K296 PolarHBondContact O-N 3.07Å; R294-G297 PolarHBondContact O-N 3.09Å; R294-I384 HydrophobicContact CG-CD1 4.08Å
295A98.1Very high97Very high85 Ų8561.1 Ų61.170%0.70232%0.321SS*.Hα-helixtrans-70.2-15.7177.700000114.5Q291 R292 L293 G297Q291-A295 WeakPolarHBondContact O-CB 3.39Å; Q291-A295 PolarHBondContact O-N 2.91Å; R292-A295 PolarHBondContact O-N 2.97Å; L293-A295 VanDerWaalsContact C-N 3.28Å; L293-A295 PolarHBondContact O-N 3.22Å; A295-G297 PolarHBondContact O-N 2.94Å
296K96.1Very high96.8Very high101 Ų10161.5 Ų61.544%0.43933%0.327SS..THydrogen-bonded Turntrans-68.2-14165.3-61.1-169.5-165.6172.50112.7R292 L293 R294 Y379 E380 L382R292-K296 PolarHBondContact O-N 3.32Å; R292-K296 VanDerWaalsContact O-N 3.11Å; L293-K296 HydrophobicContact CD1-CD 4.12Å; L293-K296 WeakPolarHBondContact O-CB 3.48Å; L293-K296 PolarHBondContact O-N 3.47Å; R294-K296 VanDerWaalsContact C-N 3.28Å; R294-K296 PolarHBondContact O-N 3.07Å; K296-Y379 PolarHBondContact NZ-O 3.27Å; K296-E380 PolarHBondContact NZ-O 2.89Å; K296-L382 PolarHBondContact NZ-O 3.37Å
297G96.3Very high96.6Very high39 Ų3962.2 Ų62.240%0.40233%0.33SS..  trans87172.5-173.600000114R294 A295R294-G297 PolarHBondContact O-N 3.09Å; A295-G297 PolarHBondContact O-N 2.94Å
298I97.8Very high96.4Very high97 Ų9759.3 Ų59.350%0.49731%0.306SS..EExtended strand (participates in β ladder)trans-93.8134.1175.2-60.6175.4000108.1I384 M389I298-I384 HydrophobicContact CG1-CB 4.45Å; I298-I384 HydrophobicContact CG1-CG2 4.14Å; I298-I384 HydrophobicContact CG2-CG2 4.37Å; I298-M389 HydrophobicContact CD1-CE 4.29Å; I298-M389 HydrophobicContact CD1-CG 4.37Å
299R97.5Very high96Very high81 Ų8162.3 Ų62.331%0.30632%0.316SS..EExtended strand (participates in β ladder)trans-70.2134.8177.8-176.9173.7-169.9-1750.9110H303 I383 I384 G386R299-H303 HydrophobicContact CG-CB 4.4Å; R299-H303 PolarHBondContact NE-CD2 3.05Å; R299-H303 VanDerWaalsContact NE-CD2 3.27Å; R299-H303 VanDerWaalsContact NE-CG 3.33Å; R299-H303 PolarHBondContact NH2-ND1 3.12Å; R299-I383 HydrophobicContact CB-CD1 4.5Å; R299-I383 VanDerWaalsContact CD-CD1 3.46Å; R299-I384 WeakPolarHBondContact CB-O 3.22Å; R299-I384 PolarHBondContact N-O 2.71Å; R299-G386 VanDerWaalsContact O-CA 3.29Å; R299-G386 WeakPolarHBondContact O-CA 3.43Å; R299-G386 PolarHBondContact O-N 3.27Å; R299-G386 VanDerWaalsContact O-N 3.09Å
300N97.5Very high95.7Very high76 Ų7668.7 Ų68.741%0.40635%0.346SS..PPolyproline II helixtrans-48.9123.4177.4178.6-8.8000110.6D302 H303N300-D302 PolarHBondContact ND2-OD2 2.94Å; N300-D302 PolarHBondContact O-N 3.35Å; N300-D302 VanDerWaalsContact O-N 3.07Å; N300-D302 WeakPolarHBondContact OD1-CB 3.42Å; N300-D302 PolarHBondContact OD1-N 2.94Å; N300-D302 PolarHBondContact OD1-OD2 2.86Å; N300-D302 VanDerWaalsContact OD1-OD2 3.09Å; N300-H303 PolarHBondContact O-CD2 3.39Å; N300-H303 PolarHBondContact O-N 2.88Å; N300-H303 VanDerWaalsContact O-N 3.14Å
301P96.4Very high95.3Very high20 Ų2071.6 Ų71.613%0.1336%0.358CS..THydrogen-bonded Turntrans-43-35.3172.4-29.231000115.5H303 S304 R305 L387 E390P301-H303 PolarHBondContact O-N 2.79Å; P301-S304 WeakPolarHBondContact O-CA 3.46Å; P301-S304 WeakPolarHBondContact O-CB 3.37Å; P301-S304 PolarHBondContact O-N 3.47Å; P301-R305 PolarHBondContact O-N 3.48Å; P301-L387 HydrophobicContact CB-CB 3.99Å; P301-L387 HydrophobicContact CB-CD1 4.4Å; P301-E390 WeakPolarHBondContact CB-OE2 3.27Å; P301-E390 VanDerWaalsContact CG-CD 3.46Å; P301-E390 HydrophobicContact CG-CG 4.27Å; P301-E390 VanDerWaalsContact CG-OE1 3.31Å; P301-E390 WeakPolarHBondContact CG-OE1 3.26Å
302D95.2Very high94.9Very high78 Ų7865.6 Ų65.642%0.41733%0.33SS..Hα-helixtrans-60.2-28-177-62.8-37.2000113.3N300 S304 R305 A306N300-D302 PolarHBondContact ND2-OD2 2.94Å; N300-D302 PolarHBondContact O-N 3.35Å; N300-D302 VanDerWaalsContact O-N 3.07Å; N300-D302 WeakPolarHBondContact OD1-CB 3.42Å; N300-D302 PolarHBondContact OD1-N 2.94Å; N300-D302 PolarHBondContact OD1-OD2 2.86Å; N300-D302 VanDerWaalsContact OD1-OD2 3.09Å; D302-S304 VanDerWaalsContact C-N 3.28Å; D302-S304 PolarHBondContact O-N 3.25Å; D302-R305 PolarHBondContact O-N 3.14Å; D302-R305 IonicContact OD1-CZ 3.4Å; D302-R305 IonicContact OD1-NH1 2.63Å; D302-R305 PolarHBondContact OD1-NH1 2.79Å; D302-A306 VanDerWaalsContact O-CB 3.24Å; D302-A306 WeakPolarHBondContact O-CB 3.09Å; D302-A306 PolarHBondContact O-N 3.42Å
303H94.7Very high94.4Very high94 Ų9466.4 Ų66.444%0.43535%0.345SS..Hα-helixtrans-65-34172.5-68.7-65.7000112.7R299 N300 P301 L307R299-H303 HydrophobicContact CG-CB 4.4Å; R299-H303 PolarHBondContact NE-CD2 3.05Å; R299-H303 VanDerWaalsContact NE-CD2 3.27Å; R299-H303 VanDerWaalsContact NE-CG 3.33Å; R299-H303 PolarHBondContact NH2-ND1 3.12Å; N300-H303 PolarHBondContact O-CD2 3.39Å; N300-H303 PolarHBondContact O-N 2.88Å; N300-H303 VanDerWaalsContact O-N 3.14Å; P301-H303 PolarHBondContact O-N 2.79Å; H303-L307 WeakPolarHBondContact O-CB 3.31Å; H303-L307 PolarHBondContact O-N 3.08Å; H303-L307 VanDerWaalsContact O-N 3.16Å
304S94.7Very high93.6Very high0 Ų068.7 Ų68.70%036%0.364CS..Hα-helixtrans-80.1-37.8176.4-65.40000110.7P301 D302 A306 L307 I308 R343 D385P301-S304 WeakPolarHBondContact O-CA 3.46Å; P301-S304 WeakPolarHBondContact O-CB 3.37Å; P301-S304 PolarHBondContact O-N 3.47Å; D302-S304 VanDerWaalsContact C-N 3.28Å; D302-S304 PolarHBondContact O-N 3.25Å; S304-A306 VanDerWaalsContact C-N 3.33Å; S304-A306 PolarHBondContact O-N 3.13Å; S304-L307 PolarHBondContact O-N 3Å; S304-I308 WeakPolarHBondContact O-CB 3.38Å; S304-I308 WeakPolarHBondContact O-CD1 3.41Å; S304-I308 VanDerWaalsContact O-CG1 3.25Å; S304-I308 WeakPolarHBondContact O-CG1 3.3Å; S304-I308 PolarHBondContact O-N 2.61Å; S304-R343 PolarHBondContact OG-NH2 2.96Å; S304-D385 WeakPolarHBondContact CB-OD1 3.5Å; S304-D385 PolarHBondContact OG-OD1 3.31Å; S304-D385 PolarHBondContact OG-OD2 2.93Å
305R93.8Very high92.8Very high81 Ų8166.6 Ų66.631%0.30636%0.363SS..Hα-helixtrans-60-41.3170.9-60.3174.8-172.9141.80.2111.5P301 D302 I308 K309 L387 E390P301-R305 PolarHBondContact O-N 3.48Å; D302-R305 PolarHBondContact O-N 3.14Å; D302-R305 IonicContact OD1-CZ 3.4Å; D302-R305 IonicContact OD1-NH1 2.63Å; D302-R305 PolarHBondContact OD1-NH1 2.79Å; R305-I308 WeakPolarHBondContact O-CB 3.31Å; R305-I308 PolarHBondContact O-N 3.13Å; R305-K309 WeakPolarHBondContact O-CG 3.45Å; R305-K309 PolarHBondContact O-N 3.41Å; R305-L387 HydrophobicContact CG-CD1 4.05Å; R305-L387 HydrophobicContact CG-CD2 3.97Å; R305-E390 IonicContact CZ-OE2 3.85Å; R305-E390 IonicContact NH2-OE1 2.74Å; R305-E390 PolarHBondContact NH2-OE1 3.19Å; R305-E390 IonicContact NH2-OE2 3.25Å; R305-E390 PolarHBondContact NH2-OE2 3.32Å
306A92.8Very high91.9Very high57 Ų5769 Ų6947%0.47137%0.371SS..Hα-helixtrans-64.2-46.2174.400000112.2D302 S304 I308 K309 E310D302-A306 VanDerWaalsContact O-CB 3.24Å; D302-A306 WeakPolarHBondContact O-CB 3.09Å; D302-A306 PolarHBondContact O-N 3.42Å; S304-A306 VanDerWaalsContact C-N 3.33Å; S304-A306 PolarHBondContact O-N 3.13Å; A306-I308 VanDerWaalsContact C-N 3.28Å; A306-I308 PolarHBondContact O-N 3.44Å; A306-K309 PolarHBondContact O-N 2.94Å; A306-K309 VanDerWaalsContact O-N 3.16Å; A306-E310 WeakPolarHBondContact O-CB 3.42Å; A306-E310 PolarHBondContact O-N 3Å
307L92.6Very high91.2Very high27 Ų2773.2 Ų73.214%0.14139%0.393CS..Hα-helixtrans-67-26.3176.5-178.561.5000113.2H303 S304 E310 K311 L350H303-L307 WeakPolarHBondContact O-CB 3.31Å; H303-L307 PolarHBondContact O-N 3.08Å; H303-L307 VanDerWaalsContact O-N 3.16Å; S304-L307 PolarHBondContact O-N 3Å; L307-E310 WeakPolarHBondContact CD1-OE2 3.5Å; L307-K311 WeakPolarHBondContact O-CD 3.5Å; L307-K311 VanDerWaalsContact O-CG 3.24Å; L307-K311 WeakPolarHBondContact O-CG 3.43Å; L307-K311 PolarHBondContact O-N 3.44Å; L307-L350 HydrophobicContact CB-CD2 4.34Å; L307-L350 HydrophobicContact CD2-CD2 3.86Å; L307-L350 HydrophobicContact CG-CD2 3.93Å
308I93.3Very high90.6Very high1 Ų174 Ų741%0.00539%0.392CS..Hα-helixtrans-68.1-50.2169.2-74.7156.3000109.5S304 R305 A306 E310 K311 L312 L350 L387 F403S304-I308 WeakPolarHBondContact O-CB 3.38Å; S304-I308 WeakPolarHBondContact O-CD1 3.41Å; S304-I308 VanDerWaalsContact O-CG1 3.25Å; S304-I308 WeakPolarHBondContact O-CG1 3.3Å; S304-I308 PolarHBondContact O-N 2.61Å; R305-I308 WeakPolarHBondContact O-CB 3.31Å; R305-I308 PolarHBondContact O-N 3.13Å; A306-I308 VanDerWaalsContact C-N 3.28Å; A306-I308 PolarHBondContact O-N 3.44Å; I308-E310 PolarHBondContact O-N 3.37Å; I308-K311 PolarHBondContact O-N 3.13Å; I308-K311 VanDerWaalsContact O-N 3.11Å; I308-L312 HydrophobicContact CG2-CD1 3.56Å; I308-L312 HydrophobicContact CG2-CG 4.38Å; I308-L312 WeakPolarHBondContact O-CB 3.45Å; I308-L312 WeakPolarHBondContact O-CG 3.42Å; I308-L312 PolarHBondContact O-N 2.86Å; I308-L350 HydrophobicContact CD1-CD1 4.49Å; I308-L350 HydrophobicContact CG1-CD1 3.55Å; I308-L350 HydrophobicContact CG1-CD2 3.83Å; I308-L350 HydrophobicContact CG1-CG 4.36Å; I308-L387 HydrophobicContact CD1-CD2 3.43Å; I308-L387 VanDerWaalsContact CD1-CD2 3.43Å; I308-F403 HydrophobicContact CD1-CD1 3.53Å; I308-F403 HydrophobicContact CD1-CD2 4.05Å; I308-F403 HydrophobicContact CD1-CE1 3.47Å; I308-F403 VanDerWaalsContact CD1-CE1 3.47Å; I308-F403 HydrophobicContact CD1-CE2 4Å; I308-F403 HydrophobicContact CD1-CG 3.82Å; I308-F403 HydrophobicContact CD1-CZ 3.71Å; I308-F403 HydrophobicContact CG1-CD1 4.4Å; I308-F403 HydrophobicContact CG1-CD2 4.36Å; I308-F403 HydrophobicContact CG1-CG 4.25Å; I308-F403 HydrophobicContact CG2-CB 3.92Å; I308-F403 HydrophobicContact CG2-CD1 4.48Å; I308-F403 HydrophobicContact CG2-CG 4.27Å
309K90.9Very high90Very high99 Ų9979 Ų7943%0.4341%0.414SS..Hα-helixtrans-61.6-43.6178.2-71.5-176.8176.2-167.80112.4R305 A306 K311 L312 T313 D406R305-K309 WeakPolarHBondContact O-CG 3.45Å; R305-K309 PolarHBondContact O-N 3.41Å; A306-K309 PolarHBondContact O-N 2.94Å; A306-K309 VanDerWaalsContact O-N 3.16Å; K309-K311 PolarHBondContact O-N 3.47Å; K309-L312 CarbonylContact O-C 3.59Å; K309-L312 PolarHBondContact O-N 3.44Å; K309-L312 VanDerWaalsContact O-N 3.12Å; K309-T313 PolarHBondContact O-N 3.37Å; K309-T313 PolarHBondContact O-OG1 2.68Å; K309-D406 WeakPolarHBondContact CE-O 3.31Å; K309-D406 PolarHBondContact NZ-O 3.14Å
310E90.2Very high89.3Confident135 Ų13582 Ų8263%0.63143%0.434SS*.Hα-helixtrans-52.6-37.9172.9-173.9-165.8145.600112.3A306 L307 I308A306-E310 WeakPolarHBondContact O-CB 3.42Å; A306-E310 PolarHBondContact O-N 3Å; L307-E310 WeakPolarHBondContact CD1-OE2 3.5Å; I308-E310 PolarHBondContact O-N 3.37Å
311K90.9Very high88.6Confident70 Ų7080.6 Ų80.630%0.30443%0.433SS..Hα-helixtrans-86.9-18.4-179.3-72.5178.1-177.8-53.80115.1L307 I308 K309 L325 S348 L350L307-K311 WeakPolarHBondContact O-CD 3.5Å; L307-K311 VanDerWaalsContact O-CG 3.24Å; L307-K311 WeakPolarHBondContact O-CG 3.43Å; L307-K311 PolarHBondContact O-N 3.44Å; I308-K311 PolarHBondContact O-N 3.13Å; I308-K311 VanDerWaalsContact O-N 3.11Å; K309-K311 PolarHBondContact O-N 3.47Å; K311-L325 HydrophobicContact CB-CD1 3.57Å; K311-L325 HydrophobicContact CD-CD1 4.19Å; K311-S348 VanDerWaalsContact CE-O 3.25Å; K311-S348 WeakPolarHBondContact CE-O 3.18Å; K311-S348 PolarHBondContact NZ-O 2.8Å; K311-L350 HydrophobicContact CD-CD1 4.46Å; K311-L350 HydrophobicContact CD-CG 4.41Å
312L90.1Very high88Confident9 Ų982.9 Ų82.95%0.04745%0.447CS..Hα-helixtrans-99.2-10.8176.5-67175.2000112.2I308 K309 A314 T322 L325 K404 E405I308-L312 HydrophobicContact CG2-CD1 3.56Å; I308-L312 HydrophobicContact CG2-CG 4.38Å; I308-L312 WeakPolarHBondContact O-CB 3.45Å; I308-L312 WeakPolarHBondContact O-CG 3.42Å; I308-L312 PolarHBondContact O-N 2.86Å; K309-L312 CarbonylContact O-C 3.59Å; K309-L312 PolarHBondContact O-N 3.44Å; K309-L312 VanDerWaalsContact O-N 3.12Å; L312-A314 PolarHBondContact O-N 3.47Å; L312-A314 VanDerWaalsContact O-N 3.15Å; L312-T322 HydrophobicContact CD2-CG2 4.08Å; L312-T322 WeakPolarHBondContact CD2-O 3.19Å; L312-L325 HydrophobicContact CD1-CD1 4.35Å; L312-L325 HydrophobicContact CD2-CB 4.5Å; L312-L325 HydrophobicContact CD2-CD1 3.9Å; L312-L325 HydrophobicContact CD2-CG 3.7Å; L312-L325 HydrophobicContact CG-CD1 3.77Å; L312-L325 HydrophobicContact CG-CG 4.16Å; L312-K404 WeakPolarHBondContact CD1-O 3.37Å; L312-E405 HydrophobicContact CB-CG 4.2Å
313T87.5Confident87.4Confident102 Ų10283.7 Ų83.763%0.62646%0.455SS*.SBendtrans-64.1114.3171.6-57.50000108.6K309 D315K309-T313 PolarHBondContact O-N 3.37Å; K309-T313 PolarHBondContact O-OG1 2.68Å; T313-D315 PolarHBondContact O-N 3.46Å
314A80.8Confident87Confident51 Ų5180.9 Ų80.942%0.42145%0.446SS..  trans-65.2132.6171.600000109.9L312 P316 A321L312-A314 PolarHBondContact O-N 3.47Å; L312-A314 VanDerWaalsContact O-N 3.15Å; A314-P316 WeakPolarHBondContact O-CD 3.19Å; A314-A321 HydrophobicContact CB-CB 3.77Å
315D81.4Confident86.9Confident96 Ų9682.5 Ų82.551%0.51345%0.454SS..  trans-73.2121.2165.7-175.7-20.1000108.1T313 E317 S318T313-D315 PolarHBondContact O-N 3.46Å; D315-E317 PolarHBondContact O-N 2.72Å; D315-E317 VanDerWaalsContact O-N 3.12Å; D315-E317 PolarHBondContact OD1-N 3.49Å; D315-S318 PolarHBondContact O-N 3.38Å
316P79.6Confident86.9Confident134 Ų13485.9 Ų85.987%0.8747%0.467SS*.THydrogen-bonded Turntrans-60.8-17.9179.9-24.135.3000114.8A314A314-P316 WeakPolarHBondContact O-CD 3.19Å
317E82.2Confident87.1Confident190 Ų19083.6 Ų83.689%0.88845%0.447SS*.THydrogen-bonded Turntrans-93.10.7174.8-57.9-166.1144.500113D315D315-E317 PolarHBondContact O-N 2.72Å; D315-E317 VanDerWaalsContact O-N 3.12Å; D315-E317 PolarHBondContact OD1-N 3.49Å
318S83.3Confident87.3Confident55 Ų5583.7 Ų83.739%0.38545%0.45SS..  trans-105.7122.4179.6-177.40000112.8D315 I320D315-S318 PolarHBondContact O-N 3.38Å; S318-I320 PolarHBondContact O-N 2.64Å; S318-I320 PolarHBondContact OG-N 3.31Å; S318-I320 PolarHBondContact OG-O 2.91Å
319E83.9Confident87.5Confident204 Ų20483.6 Ų83.695%0.95345%0.45SS*.SBendtrans-64.9-14.9170.5-61.3-177.9168.100113.2
320I82.9Confident87.8Confident142 Ų14281.2 Ų81.273%0.72844%0.441SS*.  trans-115.5109.3-178.3-55.8178.5000109.5S318S318-I320 PolarHBondContact O-N 2.64Å; S318-I320 PolarHBondContact OG-N 3.31Å; S318-I320 PolarHBondContact OG-O 2.91Å
321A83.1Confident88.2Confident48 Ų4874.9 Ų74.940%0.39741%0.412SS..  trans-99.2145.1173.300000111.6A314 T323A314-A321 HydrophobicContact CB-CB 3.77Å; A321-T323 PolarHBondContact O-N 3.3Å
322T84.8Confident88.5Confident68 Ų6873.3 Ų73.342%0.41741%0.409SS..  trans-88.896173.8-57.70000109.3L312 S324 L325L312-T322 HydrophobicContact CD2-CG2 4.08Å; L312-T322 WeakPolarHBondContact CD2-O 3.19Å; T322-S324 VanDerWaalsContact C-N 3.34Å; T322-S324 WeakPolarHBondContact CG2-O 3.2Å; T322-S324 PolarHBondContact O-N 3.48Å; T322-L325 HydrophobicContact CG2-CD2 3.88Å; T322-L325 HydrophobicContact CG2-CG 4.27Å
323T82.6Confident88.7Confident94 Ų9475.5 Ų75.558%0.57742%0.42SS*.  trans-77-14.9-175.556.60000114.7A321A321-T323 PolarHBondContact O-N 3.3Å
324S85.8Confident89Confident36 Ų3671.8 Ų71.825%0.25240%0.402SS..  trans-160.7156.3175.264.80000112.6T322 Q402 F403T322-S324 VanDerWaalsContact C-N 3.34Å; T322-S324 WeakPolarHBondContact CG2-O 3.2Å; T322-S324 PolarHBondContact O-N 3.48Å; S324-Q402 VanDerWaalsContact CB-NE2 3.32Å; S324-Q402 PolarHBondContact OG-NE2 2.85Å; S324-F403 VanDerWaalsContact CA-O 3.32Å; S324-F403 WeakPolarHBondContact CA-O 3.34Å; S324-F403 WeakPolarHBondContact CB-O 3.31Å
325L92.9Very high89.7Confident34 Ų3476.4 Ų76.418%0.17841%0.413CS..EExtended strand (participates in β ladder)trans-122.3118.1176.5-70.4165000110.6K311 L312 T322 L350 Q402 F403K311-L325 HydrophobicContact CB-CD1 3.57Å; K311-L325 HydrophobicContact CD-CD1 4.19Å; L312-L325 HydrophobicContact CD1-CD1 4.35Å; L312-L325 HydrophobicContact CD2-CB 4.5Å; L312-L325 HydrophobicContact CD2-CD1 3.9Å; L312-L325 HydrophobicContact CD2-CG 3.7Å; L312-L325 HydrophobicContact CG-CD1 3.77Å; L312-L325 HydrophobicContact CG-CG 4.16Å; T322-L325 HydrophobicContact CG2-CD2 3.88Å; T322-L325 HydrophobicContact CG2-CG 4.27Å; L325-L350 HydrophobicContact CB-CD1 4.38Å; L325-L350 HydrophobicContact CD1-CD1 3.83Å; L325-Q402 WeakPolarHBondContact O-CA 3.05Å; L325-F403 HydrophobicContact CB-CB 4.37Å; L325-F403 PolarHBondContact N-O 3.46Å; L325-F403 VanDerWaalsContact N-O 3.09Å; L325-F403 PolarHBondContact O-N 3.21Å
326R94.3Very high90.4Very high152 Ų15277.6 Ų77.657%0.57442%0.416SS*.EExtended strand (participates in β ladder)trans-88.1138.6172.7-70.5172.866.5177.3-2.6110.8E400 I401 Q402 M412R326-E400 IonicContact CZ-OE2 3.51Å; R326-E400 VanDerWaalsContact CZ-OE2 3.27Å; R326-E400 IonicContact NE-OE2 2.66Å; R326-E400 PolarHBondContact NE-OE2 3.25Å; R326-E400 IonicContact NH2-OE1 3.66Å; R326-E400 IonicContact NH2-OE2 2.64Å; R326-E400 PolarHBondContact NH2-OE2 3.15Å; R326-I401 WeakPolarHBondContact CA-O 3.07Å; R326-Q402 HydrophobicContact CG-CB 4.47Å; R326-Q402 HydrophobicContact CG-CG 4.32Å; R326-M412 HydrophobicContact CG-CE 3.83Å
327V95.9Very high91.2Very high9 Ų974.3 Ų74.36%0.05539%0.387CS..EExtended strand (participates in β ladder)trans-142.8143.7175.1-167.20000109.3L350 Q351 F388 I401 F403V327-L350 HydrophobicContact CG2-CB 3.97Å; V327-L350 HydrophobicContact CG2-CD1 4.3Å; V327-Q351 HydrophobicContact CG1-CB 4.1Å; V327-Q351 VanDerWaalsContact CG1-OE1 3.24Å; V327-F388 HydrophobicContact CB-CE1 4.22Å; V327-F388 HydrophobicContact CB-CZ 4.23Å; V327-F388 HydrophobicContact CG1-CE1 3.69Å; V327-F388 HydrophobicContact CG1-CZ 3.74Å; V327-F388 HydrophobicContact CG2-CZ 4.34Å; V327-I401 HydrophobicContact CB-CG1 4.25Å; V327-I401 PolarHBondContact N-O 3.12Å; V327-I401 WeakPolarHBondContact O-CG1 3.09Å; V327-I401 PolarHBondContact O-N 2.95Å; V327-F403 HydrophobicContact CB-CE2 4.39Å; V327-F403 HydrophobicContact CG2-CD2 4.09Å; V327-F403 HydrophobicContact CG2-CE2 3.85Å
328S96.8Very high91.9Very high28 Ų2865.5 Ų65.520%0.19635%0.346CS..EExtended strand (participates in β ladder)trans-90.8142.4175.5-175.80000112.1L330 Q351 D399S328-L330 VanDerWaalsContact C-N 3.26Å; S328-L330 WeakPolarHBondContact OG-CB 3.24Å; S328-L330 PolarHBondContact OG-N 2.84Å; S328-Q351 PolarHBondContact O-NE2 3.2Å; S328-Q351 PolarHBondContact O-OE1 3Å; S328-D399 CarbonylContact C-O 3.33Å; S328-D399 VanDerWaalsContact CA-O 3.31Å; S328-D399 WeakPolarHBondContact CA-O 3.39Å; S328-D399 PolarHBondContact OG-O 3.21Å
329L97.2Very high92.6Very high0 Ų067.7 Ų67.70%036%0.357CS..SBendtrans-85.20.6169.5-60.4-174.4000112.4L338 F388 I391 L392 D399 I401L329-L338 WeakPolarHBondContact O-CB 3.28Å; L329-L338 WeakPolarHBondContact O-CG 3.4Å; L329-L338 PolarHBondContact O-N 2.99Å; L329-F388 HydrophobicContact CD2-CD1 4.02Å; L329-F388 HydrophobicContact CD2-CE1 4.33Å; L329-I391 HydrophobicContact CD1-CG2 3.98Å; L329-I391 HydrophobicContact CD2-CG2 4.04Å; L329-L392 HydrophobicContact CB-CD2 3.89Å; L329-L392 HydrophobicContact CD1-CD2 4.28Å; L329-L392 HydrophobicContact CD2-CD2 4.07Å; L329-L392 HydrophobicContact CD2-CG 4.42Å; L329-L392 HydrophobicContact CG-CD2 4.3Å; L329-D399 PolarHBondContact N-O 2.92Å; L329-I401 HydrophobicContact CD1-CG2 3.97Å; L329-I401 HydrophobicContact CD2-CD1 4.13Å; L329-I401 HydrophobicContact CD2-CG1 4.39Å; L329-I401 HydrophobicContact CG-CG2 4.24Å
330L97.4Very high93.2Very high49 Ų4958.2 Ų58.226%0.25731%0.313SS..BIsolated β-bridgetrans-87.2148.2170.9-57.4-179.3000111.7S328 R337 D399S328-L330 VanDerWaalsContact C-N 3.26Å; S328-L330 WeakPolarHBondContact OG-CB 3.24Å; S328-L330 PolarHBondContact OG-N 2.84Å; L330-R337 HydrophobicContact CD2-CB 4.24Å; L330-D399 HydrophobicContact CD1-CB 4.07Å; L330-D399 HydrophobicContact CD2-CB 4.29Å; L330-D399 WeakPolarHBondContact CD2-OD1 3.22Å; L330-D399 HydrophobicContact CG-CB 3.97Å
331C98.1Very high94Very high1 Ų151.5 Ų51.51%0.00728%0.278CS..  trans-75123.3176.3-1770000110.6L333 G334 K335 M336 L338 D354C331-L333 PolarHBondContact O-N 2.92Å; C331-L333 VanDerWaalsContact O-N 3.15Å; C331-G334 PolarHBondContact O-N 2.8Å; C331-K335 VanDerWaalsContact O-CA 3.31Å; C331-K335 WeakPolarHBondContact O-CA 3.45Å; C331-K335 PolarHBondContact O-N 3.4Å; C331-M336 WeakPolarHBondContact CB-O 3.45Å; C331-M336 PolarHBondContact N-O 3.03Å; C331-L338 HydrophobicContact CB-CD2 3.89Å; C331-D354 HydrophobicContact CB-CB 4.19Å; C331-D354 PolarHBondContact SG-N 3.28Å
332P97.3Very high94.7Very high38 Ų3849.2 Ų49.225%0.24726%0.259CS..THydrogen-bonded Turntrans-62.4-26.1179.824.6-34.2000112.9K335 C352 F353 V372P332-K335 WeakPolarHBondContact O-CE 3.46Å; P332-K335 PolarHBondContact O-NZ 3.43Å; P332-C352 VanDerWaalsContact CD-O 3.3Å; P332-C352 WeakPolarHBondContact CD-O 3.43Å; P332-F353 HydrophobicContact CG-CB 3.95Å; P332-V372 HydrophobicContact CB-CG2 4.4Å; P332-V372 HydrophobicContact CG-CG2 3.74Å
333L94.9Very high95.3Very high55 Ų5546.2 Ų46.229%0.28824%0.24SC..THydrogen-bonded Turntrans-79.1-55.7173.3-73.9171.6000112.6C331 L357 Y358 M361 P371C331-L333 PolarHBondContact O-N 2.92Å; C331-L333 VanDerWaalsContact O-N 3.15Å; L333-L357 HydrophobicContact CB-CD2 3.66Å; L333-L357 HydrophobicContact CB-CG 4.3Å; L333-Y358 HydrophobicContact CD1-CD2 4.01Å; L333-M361 HydrophobicContact CD1-SD 3.77Å; L333-M361 HydrophobicContact CD2-CE 3.92Å; L333-M361 HydrophobicContact CD2-SD 3.82Å; L333-M361 HydrophobicContact CG-SD 4.25Å; L333-P371 HydrophobicContact CD1-CB 3.97Å; L333-P371 HydrophobicContact CD1-CG 3.79Å; L333-P371 HydrophobicContact CD2-CB 3.58Å; L333-P371 HydrophobicContact CD2-CG 4.34Å; L333-P371 HydrophobicContact CG-CB 3.58Å; L333-P371 HydrophobicContact CG-CG 3.81Å
334G93.9Very high96Very high23 Ų2341.7 Ų41.724%0.23721%0.213CC..THydrogen-bonded Turntrans-92.8-11.2-167.700000115.5C331 M336C331-G334 PolarHBondContact O-N 2.8Å; G334-M336 PolarHBondContact O-N 2.98Å
335K95Very high96.5Very high149 Ų14945 Ų4565%0.64823%0.225SC*.SBendtrans57.9-15.9-172.2-48.5-50.8-174.2-170.30116.2C331 P332C331-K335 VanDerWaalsContact O-CA 3.31Å; C331-K335 WeakPolarHBondContact O-CA 3.45Å; C331-K335 PolarHBondContact O-N 3.4Å; P332-K335 WeakPolarHBondContact O-CE 3.46Å; P332-K335 PolarHBondContact O-NZ 3.43Å
336M95.6Very high96.7Very high120 Ų12046.9 Ų46.959%0.59124%0.238SC*.SBendtrans-66.1157.9163.864.6-170.366.300112.7C331 G334C331-M336 WeakPolarHBondContact CB-O 3.45Å; C331-M336 PolarHBondContact N-O 3.03Å; G334-M336 PolarHBondContact O-N 2.98Å
337R96.9Very high96.8Very high65 Ų6540 Ų4025%0.24521%0.213CC..BIsolated β-bridgetrans-56140.1174.1-171.5177.1176.384.74.4112.2L330 T339 L392 C395 C398L330-R337 HydrophobicContact CD2-CB 4.24Å; R337-T339 PolarHBondContact O-N 2.89Å; R337-L392 HydrophobicContact CG-CD2 4.27Å; R337-L392 PolarHBondContact NH2-O 3.14Å; R337-C395 PolarHBondContact NH1-O 3.15Å; R337-C395 PolarHBondContact NH2-O 2.91Å; R337-C398 PolarHBondContact NH1-O 2.66Å
338L97.8Very high96.8Very high5 Ų542.6 Ų42.63%0.02623%0.232CC..PPolyproline II helixtrans-61132174.7-67.8168.4000110.6L329 C331 P341 C352 F353 D354 L392L329-L338 WeakPolarHBondContact O-CB 3.28Å; L329-L338 WeakPolarHBondContact O-CG 3.4Å; L329-L338 PolarHBondContact O-N 2.99Å; C331-L338 HydrophobicContact CB-CD2 3.89Å; L338-P341 HydrophobicContact CD1-CB 4.41Å; L338-C352 HydrophobicContact CD1-CB 4.01Å; L338-F353 VanDerWaalsContact CD2-C 3.41Å; L338-D354 HydrophobicContact CD2-CB 4.1Å; L338-D354 VanDerWaalsContact CD2-N 3.34Å; L338-L392 HydrophobicContact CB-CD1 3.68Å; L338-L392 HydrophobicContact CB-CD2 4.08Å
339T96.6Very high96.7Very high102 Ų10242.5 Ų42.563%0.62623%0.228SC*.SBendtrans-108.5-34.7173-57.90000111R337 D354R337-T339 PolarHBondContact O-N 2.89Å; T339-D354 WeakPolarHBondContact CA-OD2 3.05Å; T339-D354 PolarHBondContact N-OD2 3.27Å
340I98Very high96.7Very high5 Ų543 Ų433%0.02623%0.231CC..SBendtrans-129.389.4173-47.4175.3000107.9L290 C342 D354 A355 T356 I384L290-I340 HydrophobicContact CD2-CD1 3.94Å; I340-C342 PolarHBondContact O-N 3.16Å; I340-C342 VanDerWaalsContact O-N 3.09Å; I340-D354 PolarHBondContact N-OD2 3.39Å; I340-D354 WeakPolarHBondContact O-CA 3.42Å; I340-A355 HydrophobicContact CB-CB 3.81Å; I340-A355 HydrophobicContact CD1-CB 4.32Å; I340-A355 HydrophobicContact CG2-CB 3.64Å; I340-A355 PolarHBondContact O-N 3.18Å; I340-T356 WeakPolarHBondContact CD1-OG1 3.37Å; I340-I384 HydrophobicContact CG2-CD1 3.92Å; I340-I384 HydrophobicContact CG2-CG1 3.97Å; I340-I384 HydrophobicContact CG2-CG2 4.25Å
341P98.3Very high96.7Very high0 Ų042.4 Ų42.40%023%0.227CC..EExtended strand (participates in β ladder)trans-63.6112.9-179.927.1-35.9000110.4L338 C352 I384 D385 F388 M389 L392L338-P341 HydrophobicContact CD1-CB 4.41Å; P341-C352 HydrophobicContact CB-CB 3.95Å; P341-I384 WeakPolarHBondContact O-CA 3.34Å; P341-D385 PolarHBondContact O-N 3.12Å; P341-F388 HydrophobicContact CB-CB 3.5Å; P341-F388 HydrophobicContact CB-CG 4.47Å; P341-F388 HydrophobicContact CG-CB 3.82Å; P341-M389 HydrophobicContact CG-CB 4.38Å; P341-M389 HydrophobicContact CG-CE 4.13Å; P341-M389 HydrophobicContact CG-SD 4.49Å; P341-L392 HydrophobicContact CB-CD1 3.99Å; P341-L392 HydrophobicContact CG-CD1 3.73Å
342C98.5Very high96.7Very high0 Ų042.4 Ų42.40%023%0.227CC..EExtended strand (participates in β ladder)trans-130.8147.1-173.31700000111.5I340 C352 F353 A355 I383I340-C342 PolarHBondContact O-N 3.16Å; I340-C342 VanDerWaalsContact O-N 3.09Å; C342-C352 WeakPolarHBondContact O-CA 3.48Å; C342-F353 WeakPolarHBondContact CA-O 3.35Å; C342-F353 HydrophobicContact CB-CD2 4.43Å; C342-F353 HydrophobicContact CB-CE2 4.3Å; C342-F353 WeakPolarHBondContact CB-O 3.14Å; C342-F353 PolarHBondContact N-O 3.37Å; C342-F353 WeakPolarHBondContact O-CD1 2.95Å; C342-F353 WeakPolarHBondContact O-CG 3.5Å; C342-F353 PolarHBondContact O-N 3.25Å; C342-F353 VanDerWaalsContact O-O 3.11Å; C342-A355 HydrophobicContact CB-CB 3.71Å; C342-I383 VanDerWaalsContact CA-O 3.3Å; C342-I383 WeakPolarHBondContact CA-O 3.44Å; C342-I383 PolarHBondContact SG-O 2.68Å
343R97.9Very high96.8Very high5 Ų540.6 Ų40.62%0.01922%0.215CC..EExtended strand (participates in β ladder)trans-152169.7167.255.7-175.2177127.15.1110.2S304 C347 H349 F353 I383 D385S304-R343 PolarHBondContact OG-NH2 2.96Å; R343-C347 HydrophobicContact CB-CB 4.5Å; R343-H349 PolarHBondContact NH1-O 2.75Å; R343-F353 HydrophobicContact CB-CE1 4.25Å; R343-I383 HydrophobicContact CG-CD1 4.19Å; R343-I383 HydrophobicContact CG-CG1 4.24Å; R343-I383 PolarHBondContact N-O 2.82Å; R343-I383 WeakPolarHBondContact O-CG1 3.49Å; R343-I383 PolarHBondContact O-N 2.93Å; R343-D385 IonicContact CZ-OD2 3.27Å; R343-D385 IonicContact NE-OD2 3.02Å; R343-D385 PolarHBondContact NE-OD2 3.29Å; R343-D385 IonicContact NH2-OD2 2.69Å; R343-D385 PolarHBondContact NH2-OD2 3.47Å
344S98Very high97Very high0 Ų038.4 Ų38.40%020%0.204CC..EExtended strand (participates in β ladder)trans-75.5143.3166.3-176.10000109.4T346 C347 H381S344-T346 PolarHBondContact O-N 2.74Å; S344-T346 VanDerWaalsContact O-N 3.11Å; S344-T346 PolarHBondContact OG-N 3.01Å; S344-T346 PolarHBondContact OG-OG1 3.11Å; S344-C347 VanDerWaalsContact O-CB 3.28Å; S344-C347 WeakPolarHBondContact O-CB 3.38Å; S344-C347 PolarHBondContact O-N 2.87Å; S344-H381 WeakPolarHBondContact CA-O 3.39Å; S344-H381 WeakPolarHBondContact OG-CB 3.49Å
345M96.3Very high97.2Very high104 Ų10437.3 Ų37.351%0.51219%0.192SC..THydrogen-bonded Turntrans-59.7-18.1168.963.4-179.962.600113.2H381 I383M345-H381 HydrophobicContact CG-CB 3.96Å; M345-H381 PolarHBondContact N-O 2.83Å; M345-I383 HydrophobicContact CB-CG2 4.27Å; M345-I383 HydrophobicContact CE-CG2 3.98Å
346T96.3Very high97.3Very high74 Ų7432.1 Ų32.145%0.45417%0.173SC..THydrogen-bonded Turntrans-86.60.517559.80000114.3S344S344-T346 PolarHBondContact O-N 2.74Å; S344-T346 VanDerWaalsContact O-N 3.11Å; S344-T346 PolarHBondContact OG-N 3.01Å; S344-T346 PolarHBondContact OG-OG1 3.11Å
347C96.9Very high97.4Very high7 Ų728.4 Ų28.45%0.04716%0.156CC..  trans-83.5123.1-178.9-770000112.4R343 S344 H349 C370R343-C347 HydrophobicContact CB-CB 4.5Å; S344-C347 VanDerWaalsContact O-CB 3.28Å; S344-C347 WeakPolarHBondContact O-CB 3.38Å; S344-C347 PolarHBondContact O-N 2.87Å; C347-H349 VanDerWaalsContact CB-NE2 3.35Å; C347-H349 WeakPolarHBondContact CB-NE2 3.21Å; C347-H349 PolarHBondContact O-N 3.22Å; C347-H349 PolarHBondContact SG-NE2 3.41Å; C347-C370 VanDerWaalsContact SG-SG 3.65Å
348S94.9Very high97.5Very high64 Ų6425.6 Ų25.645%0.44815%0.145SC..  trans-80.38.8178.157.20000114.7K311 K375K311-S348 VanDerWaalsContact CE-O 3.25Å; K311-S348 WeakPolarHBondContact CE-O 3.18Å; K311-S348 PolarHBondContact NZ-O 2.8Å; S348-K375 PolarHBondContact OG-NZ 2.72Å
349H95.6Very high97.6Very high26 Ų2625.4 Ų25.412%0.1214%0.144CC..  trans-113.8156.5179.959.379.9000111.7R343 C347 Q351 C370 V372 C373R343-H349 PolarHBondContact NH1-O 2.75Å; C347-H349 VanDerWaalsContact CB-NE2 3.35Å; C347-H349 WeakPolarHBondContact CB-NE2 3.21Å; C347-H349 PolarHBondContact O-N 3.22Å; C347-H349 PolarHBondContact SG-NE2 3.41Å; H349-Q351 PolarHBondContact CE1-O 3.26Å; H349-Q351 PolarHBondContact ND1-O 2.82Å; H349-C370 PolarHBondContact NE2-SG 3.19Å; H349-V372 HydrophobicContact CB-CG1 4.29Å; H349-C373 PolarHBondContact CD2-SG 3.06Å; H349-C373 PolarHBondContact NE2-SG 3.38Å; H349-C373 VanDerWaalsContact NE2-SG 3.37Å
350L96.1Very high97.6Very high10 Ų1024.5 Ų24.55%0.05213%0.133CC..  trans-85.2-36.1175.9-64.2174000112.7L307 I308 K311 L325 V327 C352 F388L307-L350 HydrophobicContact CB-CD2 4.34Å; L307-L350 HydrophobicContact CD2-CD2 3.86Å; L307-L350 HydrophobicContact CG-CD2 3.93Å; I308-L350 HydrophobicContact CD1-CD1 4.49Å; I308-L350 HydrophobicContact CG1-CD1 3.55Å; I308-L350 HydrophobicContact CG1-CD2 3.83Å; I308-L350 HydrophobicContact CG1-CG 4.36Å; K311-L350 HydrophobicContact CD-CD1 4.46Å; K311-L350 HydrophobicContact CD-CG 4.41Å; L325-L350 HydrophobicContact CB-CD1 4.38Å; L325-L350 HydrophobicContact CD1-CD1 3.83Å; V327-L350 HydrophobicContact CG2-CB 3.97Å; V327-L350 HydrophobicContact CG2-CD1 4.3Å; L350-C352 PolarHBondContact O-N 3.16Å; L350-C352 VanDerWaalsContact O-N 3.15Å; L350-F388 HydrophobicContact CB-CZ 4.44Å; L350-F388 WeakPolarHBondContact O-CE2 3.33Å
351Q97.9Very high97.5Very high38 Ų3828.5 Ų28.518%0.17815%0.153CC..  trans-53.2120-178-178.462.862.200111.3V327 S328 H349 V372V327-Q351 HydrophobicContact CG1-CB 4.1Å; V327-Q351 VanDerWaalsContact CG1-OE1 3.24Å; S328-Q351 PolarHBondContact O-NE2 3.2Å; S328-Q351 PolarHBondContact O-OE1 3Å; H349-Q351 PolarHBondContact CE1-O 3.26Å; H349-Q351 PolarHBondContact ND1-O 2.82Å; Q351-V372 HydrophobicContact CB-CG1 4.09Å; Q351-V372 HydrophobicContact CG-CG1 4.36Å; Q351-V372 HydrophobicContact CG-CG2 4.12Å
352C98.4Very high97.5Very high0 Ų028.6 Ų28.60%015%0.153CC..  trans-89161.9175.5-71.10000111.2P332 L338 P341 C342 L350P332-C352 VanDerWaalsContact CD-O 3.3Å; P332-C352 WeakPolarHBondContact CD-O 3.43Å; L338-C352 HydrophobicContact CD1-CB 4.01Å; P341-C352 HydrophobicContact CB-CB 3.95Å; C342-C352 WeakPolarHBondContact O-CA 3.48Å; L350-C352 PolarHBondContact O-N 3.16Å; L350-C352 VanDerWaalsContact O-N 3.15Å
353F98.7Very high97.4Very high0 Ų031.9 Ų31.90%017%0.168CC..EExtended strand (participates in β ladder)trans-123158.8168.453.6-99.3000109.8P332 L338 C342 R343 A355 Y358 P371 V372 L382P332-F353 HydrophobicContact CG-CB 3.95Å; L338-F353 VanDerWaalsContact CD2-C 3.41Å; C342-F353 WeakPolarHBondContact CA-O 3.35Å; C342-F353 HydrophobicContact CB-CD2 4.43Å; C342-F353 HydrophobicContact CB-CE2 4.3Å; C342-F353 WeakPolarHBondContact CB-O 3.14Å; C342-F353 PolarHBondContact N-O 3.37Å; C342-F353 WeakPolarHBondContact O-CD1 2.95Å; C342-F353 WeakPolarHBondContact O-CG 3.5Å; C342-F353 PolarHBondContact O-N 3.25Å; C342-F353 VanDerWaalsContact O-O 3.11Å; R343-F353 HydrophobicContact CB-CE1 4.25Å; F353-A355 PolarHBondContact O-N 2.85Å; F353-Y358 HydrophobicContact CD2-CD1 4.4Å; F353-Y358 AromaticContact CD2-CD2 3.91Å; F353-Y358 HydrophobicContact CD2-CD2 3.91Å; F353-Y358 AromaticContact CD2-CG 3.74Å; F353-Y358 HydrophobicContact CD2-CG 3.74Å; F353-Y358 AromaticContact CE2-CD1 3.6Å; F353-Y358 HydrophobicContact CE2-CD1 3.6Å; F353-Y358 AromaticContact CE2-CD2 3.71Å; F353-Y358 HydrophobicContact CE2-CD2 3.71Å; F353-Y358 HydrophobicContact CE2-CE1 4.1Å; F353-Y358 HydrophobicContact CE2-CE2 4.22Å; F353-Y358 AromaticContact CE2-CG 3.38Å; F353-Y358 HydrophobicContact CE2-CG 3.38Å; F353-Y358 HydrophobicContact CZ-CD1 4.29Å; F353-Y358 HydrophobicContact CZ-CD2 4.34Å; F353-Y358 HydrophobicContact CZ-CE1 4.35Å; F353-Y358 HydrophobicContact CZ-CE2 4.42Å; F353-Y358 HydrophobicContact CZ-CG 4.29Å; F353-P371 HydrophobicContact CB-CG 3.8Å; F353-P371 HydrophobicContact CD1-CG 3.67Å; F353-P371 HydrophobicContact CD2-CG 4.44Å; F353-P371 HydrophobicContact CE1-CG 4.34Å; F353-P371 HydrophobicContact CG-CG 3.72Å; F353-V372 HydrophobicContact CD1-CG2 4.47Å; F353-L382 HydrophobicContact CE2-CD2 4.38Å; F353-L382 HydrophobicContact CZ-CD2 4.04Å
354D98.6Very high97.1Very high9 Ų940.6 Ų40.65%0.04821%0.206CC..EExtended strand (participates in β ladder)trans-76126.3-178.2-165.6-86.4000111.2C331 L338 T339 I340 T356 Y358C331-D354 HydrophobicContact CB-CB 4.19Å; C331-D354 PolarHBondContact SG-N 3.28Å; L338-D354 HydrophobicContact CD2-CB 4.1Å; L338-D354 VanDerWaalsContact CD2-N 3.34Å; T339-D354 WeakPolarHBondContact CA-OD2 3.05Å; T339-D354 PolarHBondContact N-OD2 3.27Å; I340-D354 PolarHBondContact N-OD2 3.39Å; I340-D354 WeakPolarHBondContact O-CA 3.42Å; D354-T356 VanDerWaalsContact C-N 3.26Å; D354-T356 PolarHBondContact O-N 3.3Å; D354-T356 WeakPolarHBondContact OD1-CA 3.13Å; D354-T356 WeakPolarHBondContact OD1-CB 3.26Å; D354-T356 PolarHBondContact OD1-N 3.43Å; D354-T356 PolarHBondContact OD1-OG1 2.82Å; D354-Y358 VanDerWaalsContact O-CB 3.25Å; D354-Y358 WeakPolarHBondContact O-CB 3.01Å; D354-Y358 PolarHBondContact O-N 3.03Å
355A98.5Very high96.9Very high0 Ų047.2 Ų47.20%024%0.235CC..Hα-helixtrans-60.4-35.2-18000000113.1L290 L293 I340 C342 F353 Y358 I359L290-A355 HydrophobicContact CD2-CB 3.91Å; L293-A355 HydrophobicContact CD2-CB 3.77Å; I340-A355 HydrophobicContact CB-CB 3.81Å; I340-A355 HydrophobicContact CD1-CB 4.32Å; I340-A355 HydrophobicContact CG2-CB 3.64Å; I340-A355 PolarHBondContact O-N 3.18Å; C342-A355 HydrophobicContact CB-CB 3.71Å; F353-A355 PolarHBondContact O-N 2.85Å; A355-Y358 PolarHBondContact O-N 3.49Å; A355-I359 WeakPolarHBondContact O-CB 3.34Å; A355-I359 VanDerWaalsContact O-CG1 3.31Å; A355-I359 WeakPolarHBondContact O-CG1 3.36Å; A355-I359 PolarHBondContact O-N 3.28Å
356T98.2Very high96.7Very high40 Ų4044.6 Ų44.625%0.24523%0.226CC..Hα-helixtrans-62.4-58.1-175.1-420000109.9L290 I340 D354 Y358 I359 Q360L290-T356 HydrophobicContact CD1-CG2 3.83Å; I340-T356 WeakPolarHBondContact CD1-OG1 3.37Å; D354-T356 VanDerWaalsContact C-N 3.26Å; D354-T356 PolarHBondContact O-N 3.3Å; D354-T356 WeakPolarHBondContact OD1-CA 3.13Å; D354-T356 WeakPolarHBondContact OD1-CB 3.26Å; D354-T356 PolarHBondContact OD1-N 3.43Å; D354-T356 PolarHBondContact OD1-OG1 2.82Å; T356-Y358 VanDerWaalsContact C-N 3.32Å; T356-Y358 PolarHBondContact O-N 3.21Å; T356-I359 PolarHBondContact O-N 2.67Å; T356-Q360 WeakPolarHBondContact O-CB 3.48Å; T356-Q360 VanDerWaalsContact O-CG 3.27Å; T356-Q360 WeakPolarHBondContact O-CG 3.45Å; T356-Q360 PolarHBondContact O-N 2.8Å
357L97.9Very high96.6Very high43 Ų4344.2 Ų44.223%0.22522%0.224CC..Hα-helixtrans-64.6-38.4178.6-178.357.5000111.3L333 I359 Q360 M361L333-L357 HydrophobicContact CB-CD2 3.66Å; L333-L357 HydrophobicContact CB-CG 4.3Å; L357-I359 PolarHBondContact O-N 3.43Å; L357-Q360 PolarHBondContact O-N 2.79Å; L357-M361 HydrophobicContact CD1-CG 4.16Å; L357-M361 HydrophobicContact CD1-SD 4.27Å; L357-M361 HydrophobicContact CG-CG 4.5Å; L357-M361 HydrophobicContact CG-SD 4.16Å; L357-M361 WeakPolarHBondContact O-CB 3.25Å; L357-M361 VanDerWaalsContact O-CG 3.28Å; L357-M361 WeakPolarHBondContact O-CG 3.44Å; L357-M361 PolarHBondContact O-N 3.47Å
358Y98.6Very high96.6Very high6 Ų645.3 Ų45.32%0.02423%0.227CC..Hα-helixtrans-61.9-44.1178.7-171.2-107000113.2L333 F353 D354 A355 T356 N362 W368 V369 P371 A377 L382L333-Y358 HydrophobicContact CD1-CD2 4.01Å; F353-Y358 HydrophobicContact CD2-CD1 4.4Å; F353-Y358 AromaticContact CD2-CD2 3.91Å; F353-Y358 HydrophobicContact CD2-CD2 3.91Å; F353-Y358 AromaticContact CD2-CG 3.74Å; F353-Y358 HydrophobicContact CD2-CG 3.74Å; F353-Y358 AromaticContact CE2-CD1 3.6Å; F353-Y358 HydrophobicContact CE2-CD1 3.6Å; F353-Y358 AromaticContact CE2-CD2 3.71Å; F353-Y358 HydrophobicContact CE2-CD2 3.71Å; F353-Y358 HydrophobicContact CE2-CE1 4.1Å; F353-Y358 HydrophobicContact CE2-CE2 4.22Å; F353-Y358 AromaticContact CE2-CG 3.38Å; F353-Y358 HydrophobicContact CE2-CG 3.38Å; F353-Y358 HydrophobicContact CZ-CD1 4.29Å; F353-Y358 HydrophobicContact CZ-CD2 4.34Å; F353-Y358 HydrophobicContact CZ-CE1 4.35Å; F353-Y358 HydrophobicContact CZ-CE2 4.42Å; F353-Y358 HydrophobicContact CZ-CG 4.29Å; D354-Y358 VanDerWaalsContact O-CB 3.25Å; D354-Y358 WeakPolarHBondContact O-CB 3.01Å; D354-Y358 PolarHBondContact O-N 3.03Å; A355-Y358 PolarHBondContact O-N 3.49Å; T356-Y358 VanDerWaalsContact C-N 3.32Å; T356-Y358 PolarHBondContact O-N 3.21Å; Y358-N362 PolarHBondContact O-N 3.07Å; Y358-N362 PolarHBondContact O-ND2 3.47Å; Y358-W368 AromaticContact CE1-CE3 3.9Å; Y358-W368 HydrophobicContact CE1-CE3 3.9Å; Y358-W368 HydrophobicContact CE1-CZ3 4.01Å; Y358-V369 WeakPolarHBondContact CE2-O 3.28Å; Y358-V369 VanDerWaalsContact OH-C 3.31Å; Y358-V369 PolarHBondContact OH-N 3.29Å; Y358-V369 PolarHBondContact OH-O 3.48Å; Y358-P371 HydrophobicContact CD2-CG 4.47Å; Y358-A377 PolarHBondContact OH-O 2.98Å; Y358-L382 HydrophobicContact CD1-CD1 3.91Å; Y358-L382 HydrophobicContact CD1-CD2 4.4Å; Y358-L382 HydrophobicContact CE1-CD1 3.96Å; Y358-L382 HydrophobicContact CE1-CD2 4.04Å
359I98.5Very high96.8Very high0 Ų044.6 Ų44.60%022%0.22CC..Hα-helixtrans-73.3-41.1179.4-66173.5000110.1F139 L289 L290 L293 A355 T356 L357 M361 N362 E363 Y379F139-I359 HydrophobicContact CE1-CG2 4.06Å; F139-I359 HydrophobicContact CZ-CG2 3.94Å; F139-I359 WeakPolarHBondContact CZ-O 3.48Å; L289-I359 HydrophobicContact CB-CD1 4.4Å; L289-I359 HydrophobicContact CB-CG2 3.75Å; L289-I359 HydrophobicContact CD2-CG2 4.22Å; L290-I359 HydrophobicContact CD2-CD1 3.85Å; L290-I359 HydrophobicContact CG-CB 4.48Å; L290-I359 HydrophobicContact CG-CD1 3.99Å; L293-I359 HydrophobicContact CD2-CD1 4.02Å; A355-I359 WeakPolarHBondContact O-CB 3.34Å; A355-I359 VanDerWaalsContact O-CG1 3.31Å; A355-I359 WeakPolarHBondContact O-CG1 3.36Å; A355-I359 PolarHBondContact O-N 3.28Å; T356-I359 PolarHBondContact O-N 2.67Å; L357-I359 PolarHBondContact O-N 3.43Å; I359-M361 VanDerWaalsContact C-N 3.32Å; I359-M361 PolarHBondContact O-N 3.05Å; I359-N362 CarbonylContact O-C 3.46Å; I359-N362 PolarHBondContact O-N 3.48Å; I359-N362 VanDerWaalsContact O-N 3.13Å; I359-E363 PolarHBondContact O-N 2.89Å; I359-Y379 HydrophobicContact CD1-CD2 4.35Å; I359-Y379 HydrophobicContact CD1-CE2 4.03Å
360Q97.5Very high96.9Very high83 Ų8343.4 Ų43.439%0.38821%0.214SC..Hα-helixtrans-59.4-37.9173.9-74.4171.7-13.500113.3T356 L357 E363 K364T356-Q360 WeakPolarHBondContact O-CB 3.48Å; T356-Q360 VanDerWaalsContact O-CG 3.27Å; T356-Q360 WeakPolarHBondContact O-CG 3.45Å; T356-Q360 PolarHBondContact O-N 2.8Å; L357-Q360 PolarHBondContact O-N 2.79Å; Q360-E363 WeakPolarHBondContact O-CB 3.19Å; Q360-E363 PolarHBondContact O-N 2.91Å; Q360-K364 PolarHBondContact O-N 3.09Å
361M96.9Very high97Very high90 Ų9044.8 Ų44.844%0.44322%0.224SC..Hα-helixtrans-66.3-40.9174.1-74.6178.96800111.9L333 L357 I359 E363 K364 K365L333-M361 HydrophobicContact CD1-SD 3.77Å; L333-M361 HydrophobicContact CD2-CE 3.92Å; L333-M361 HydrophobicContact CD2-SD 3.82Å; L333-M361 HydrophobicContact CG-SD 4.25Å; L357-M361 HydrophobicContact CD1-CG 4.16Å; L357-M361 HydrophobicContact CD1-SD 4.27Å; L357-M361 HydrophobicContact CG-CG 4.5Å; L357-M361 HydrophobicContact CG-SD 4.16Å; L357-M361 WeakPolarHBondContact O-CB 3.25Å; L357-M361 VanDerWaalsContact O-CG 3.28Å; L357-M361 WeakPolarHBondContact O-CG 3.44Å; L357-M361 PolarHBondContact O-N 3.47Å; I359-M361 VanDerWaalsContact C-N 3.32Å; I359-M361 PolarHBondContact O-N 3.05Å; M361-E363 VanDerWaalsContact C-N 3.35Å; M361-K364 PolarHBondContact O-N 2.86Å; M361-K365 PolarHBondContact O-N 3.03Å
362N97.4Very high97Very high2 Ų245.4 Ų45.41%0.01123%0.23CC..Hα-helixtrans-74.1-23178-79.2-78.4000113.6F139 Y358 I359 K365 P366 T367 W368F139-N362 VanDerWaalsContact CE2-C 3.46Å; F139-N362 HydrophobicContact CE2-CB 4.08Å; F139-N362 WeakPolarHBondContact CE2-O 3.47Å; F139-N362 HydrophobicContact CZ-CB 4.33Å; Y358-N362 PolarHBondContact O-N 3.07Å; Y358-N362 PolarHBondContact O-ND2 3.47Å; I359-N362 CarbonylContact O-C 3.46Å; I359-N362 PolarHBondContact O-N 3.48Å; I359-N362 VanDerWaalsContact O-N 3.13Å; N362-K365 CarbonylContact O-C 3.57Å; N362-P366 WeakPolarHBondContact O-CA 3.48Å; N362-P366 WeakPolarHBondContact O-CB 3.49Å; N362-P366 WeakPolarHBondContact O-CD 3.44Å; N362-T367 PolarHBondContact OD1-N 3.45Å; N362-W368 HydrophobicContact CB-CD2 4.23Å; N362-W368 HydrophobicContact CB-CE3 4.11Å; N362-W368 HydrophobicContact CB-CH2 3.74Å; N362-W368 HydrophobicContact CB-CZ2 3.88Å; N362-W368 HydrophobicContact CB-CZ3 3.86Å; N362-W368 PolarHBondContact OD1-N 3.05Å
363E95.4Very high97Very high68 Ų6847.2 Ų47.232%0.31824%0.242SC..Hα-helixtrans-64-48.2170.9-177.8173.3-136.100110.5F139 S285 S286 I359 Q360 M361F139-E363 HydrophobicContact CD1-CB 4.42Å; F139-E363 HydrophobicContact CD1-CG 4.42Å; F139-E363 HydrophobicContact CE1-CB 3.62Å; F139-E363 HydrophobicContact CE1-CG 4Å; F139-E363 HydrophobicContact CE2-CB 4.38Å; F139-E363 HydrophobicContact CZ-CB 3.62Å; F139-E363 HydrophobicContact CZ-CG 4.46Å; F139-E363 VanDerWaalsContact CZ-N 3.27Å; S285-E363 WeakPolarHBondContact CA-OE1 3.47Å; S286-E363 WeakPolarHBondContact CB-OE2 3.35Å; S286-E363 PolarHBondContact N-OE1 2.86Å; S286-E363 PolarHBondContact OG-OE2 3.36Å; I359-E363 PolarHBondContact O-N 2.89Å; Q360-E363 WeakPolarHBondContact O-CB 3.19Å; Q360-E363 PolarHBondContact O-N 2.91Å; M361-E363 VanDerWaalsContact C-N 3.35Å
364K92.8Very high96.9Very high189 Ų18953.5 Ų53.582%0.82228%0.276SS*.Hα-helixtrans-70.8-39.9176.3-65.8-178.5179.5-179.40112.8Q360 M361Q360-K364 PolarHBondContact O-N 3.09Å; M361-K364 PolarHBondContact O-N 2.86Å
365K92.5Very high96.9Very high139 Ų13958.1 Ų58.160%0.60430%0.295SS*.SBendtrans-147.690.3-178.1-171.9-177.6179.2179.70110.1M361 N362 T367M361-K365 PolarHBondContact O-N 3.03Å; N362-K365 CarbonylContact O-C 3.57Å; K365-T367 HydrophobicContact CD-CG2 4.45Å; K365-T367 HydrophobicContact CG-CG2 4.17Å; K365-T367 PolarHBondContact O-N 3.3Å
366P93.3Very high96.8Very high49 Ų4963.8 Ų63.832%0.31832%0.32SS..  trans-66.8110.6-179.623.8-32.5000109.6R244 N362R244-P366 PolarHBondContact NH2-O 2.94Å; N362-P366 WeakPolarHBondContact O-CA 3.48Å; N362-P366 WeakPolarHBondContact O-CB 3.49Å; N362-P366 WeakPolarHBondContact O-CD 3.44Å
367T94.4Very high96.8Very high66 Ų6661.9 Ų61.941%0.40531%0.308SS..  trans-116.5-34.1172.958.90000110.9N362 K365 V369N362-T367 PolarHBondContact OD1-N 3.45Å; K365-T367 HydrophobicContact CD-CG2 4.45Å; K365-T367 HydrophobicContact CG-CG2 4.17Å; K365-T367 PolarHBondContact O-N 3.3Å; T367-V369 VanDerWaalsContact C-N 3.29Å; T367-V369 PolarHBondContact O-N 3.47Å
368W97.1Very high96.7Very high30 Ų3060.9 Ų60.911%0.11430%0.304CS..  trans50.947.9-176.8-57.8112.3000112.3P138 F139 L289 Y358 N362 K376 A377 Y379 L382P138-W368 HydrophobicContact CB-CH2 4.29Å; P138-W368 HydrophobicContact CB-CZ2 3.86Å; P138-W368 HydrophobicContact CG-CH2 4.42Å; P138-W368 HydrophobicContact CG-CZ2 3.76Å; F139-W368 HydrophobicContact CD2-CZ2 4Å; F139-W368 AromaticContact CE2-CH2 3.82Å; F139-W368 HydrophobicContact CE2-CH2 3.82Å; F139-W368 AromaticContact CE2-CZ2 3.42Å; F139-W368 HydrophobicContact CE2-CZ2 3.42Å; F139-W368 VanDerWaalsContact CE2-CZ2 3.42Å; F139-W368 HydrophobicContact CZ-CH2 4.18Å; F139-W368 HydrophobicContact CZ-CZ2 4.23Å; L289-W368 HydrophobicContact CD2-CH2 4.47Å; Y358-W368 AromaticContact CE1-CE3 3.9Å; Y358-W368 HydrophobicContact CE1-CE3 3.9Å; Y358-W368 HydrophobicContact CE1-CZ3 4.01Å; N362-W368 HydrophobicContact CB-CD2 4.23Å; N362-W368 HydrophobicContact CB-CE3 4.11Å; N362-W368 HydrophobicContact CB-CH2 3.74Å; N362-W368 HydrophobicContact CB-CZ2 3.88Å; N362-W368 HydrophobicContact CB-CZ3 3.86Å; N362-W368 PolarHBondContact OD1-N 3.05Å; W368-K376 CarbonylContact O-C 3.44Å; W368-K376 WeakPolarHBondContact O-CA 3.1Å; W368-A377 PolarHBondContact O-N 2.87Å; W368-Y379 HydrophobicContact CH2-CD2 4.28Å; W368-Y379 HydrophobicContact CH2-CG 4.43Å; W368-Y379 HydrophobicContact CZ3-CD2 4.48Å; W368-L382 HydrophobicContact CZ3-CD1 4.32Å
369V98Very high96.7Very high49 Ų4961.5 Ų61.530%0.29731%0.307SS..BIsolated β-bridgetrans-108.9139.7176173.60000109.2Y358 T367 D374Y358-V369 WeakPolarHBondContact CE2-O 3.28Å; Y358-V369 VanDerWaalsContact OH-C 3.31Å; Y358-V369 PolarHBondContact OH-N 3.29Å; Y358-V369 PolarHBondContact OH-O 3.48Å; T367-V369 VanDerWaalsContact C-N 3.29Å; T367-V369 PolarHBondContact O-N 3.47Å; V369-D374 HydrophobicContact CG1-CB 4.25Å
370C98.4Very high96.6Very high0 Ų065.4 Ų65.40%033%0.325CS..  trans-77.7125.8178.8-179.80000111.7C347 H349 V372 C373 D374 K375 A377C347-C370 VanDerWaalsContact SG-SG 3.65Å; H349-C370 PolarHBondContact NE2-SG 3.19Å; C370-V372 PolarHBondContact O-N 2.86Å; C370-C373 PolarHBondContact O-N 3.02Å; C370-D374 WeakPolarHBondContact O-CA 3.33Å; C370-D374 PolarHBondContact O-N 2.81Å; C370-K375 WeakPolarHBondContact CB-O 3.46Å; C370-K375 PolarHBondContact N-O 3.15Å; C370-A377 HydrophobicContact CB-CB 4Å
371P97.9Very high96.6Very high40 Ų4065 Ų6526%0.2632%0.323SS..THydrogen-bonded Turntrans-75.19.5-176.535-40.3000115L333 F353 Y358L333-P371 HydrophobicContact CD1-CB 3.97Å; L333-P371 HydrophobicContact CD1-CG 3.79Å; L333-P371 HydrophobicContact CD2-CB 3.58Å; L333-P371 HydrophobicContact CD2-CG 4.34Å; L333-P371 HydrophobicContact CG-CB 3.58Å; L333-P371 HydrophobicContact CG-CG 3.81Å; F353-P371 HydrophobicContact CB-CG 3.8Å; F353-P371 HydrophobicContact CD1-CG 3.67Å; F353-P371 HydrophobicContact CD2-CG 4.44Å; F353-P371 HydrophobicContact CE1-CG 4.34Å; F353-P371 HydrophobicContact CG-CG 3.72Å; Y358-P371 HydrophobicContact CD2-CG 4.47Å
372V98.1Very high96.7Very high51 Ų5160.8 Ų60.831%0.30930%0.302SS..THydrogen-bonded Turntrans-117.9-22.3-179.2178.20000111.9P332 H349 Q351 F353 C370P332-V372 HydrophobicContact CB-CG2 4.4Å; P332-V372 HydrophobicContact CG-CG2 3.74Å; H349-V372 HydrophobicContact CB-CG1 4.29Å; Q351-V372 HydrophobicContact CB-CG1 4.09Å; Q351-V372 HydrophobicContact CG-CG1 4.36Å; Q351-V372 HydrophobicContact CG-CG2 4.12Å; F353-V372 HydrophobicContact CD1-CG2 4.47Å; C370-V372 PolarHBondContact O-N 2.86Å
373C97.7Very high96.7Very high38 Ų3861.7 Ų61.726%0.25731%0.307SS..THydrogen-bonded Turntrans-151.49.6-174.667.20000115.2H349 C370 K375H349-C373 PolarHBondContact CD2-SG 3.06Å; H349-C373 PolarHBondContact NE2-SG 3.38Å; H349-C373 VanDerWaalsContact NE2-SG 3.37Å; C370-C373 PolarHBondContact O-N 3.02Å; C373-K375 PolarHBondContact O-N 3.29Å
374D97.3Very high96.9Very high131 Ų13158.7 Ų58.770%0.70129%0.293SS*.  trans55.17.6176.8-58.3-56.3000117.1V369 C370V369-D374 HydrophobicContact CG1-CB 4.25Å; C370-D374 WeakPolarHBondContact O-CA 3.33Å; C370-D374 PolarHBondContact O-N 2.81Å
375K97.9Very high97.1Very high107 Ų10749.7 Ų49.747%0.46525%0.254SS..  trans-73.4153.9171.5-65.6174.2-174.51780110.9S348 C370 C373 A377S348-K375 PolarHBondContact OG-NZ 2.72Å; C370-K375 WeakPolarHBondContact CB-O 3.46Å; C370-K375 PolarHBondContact N-O 3.15Å; C373-K375 PolarHBondContact O-N 3.29Å; K375-A377 PolarHBondContact O-N 3.38Å
376K97Very high97.4Very high118 Ų11843.2 Ų43.251%0.51323%0.226SC..BIsolated β-bridgetrans-58.9128.3173.8-77.5-90.3-167.8154.80110.9E208 W368E208-K376 IonicContact OE1-NZ 3.96Å; E208-K376 PolarHBondContact OE1-NZ 2.99Å; W368-K376 CarbonylContact O-C 3.44Å; W368-K376 WeakPolarHBondContact O-CA 3.1Å
377A97.7Very high97.6Very high0 Ų041 Ų410%021%0.212CC..  trans-131.170.1177.500000109.9Y358 W368 C370 K375 L382Y358-A377 PolarHBondContact OH-O 2.98Å; W368-A377 PolarHBondContact O-N 2.87Å; C370-A377 HydrophobicContact CB-CB 4Å; K375-A377 PolarHBondContact O-N 3.38Å; A377-L382 HydrophobicContact CB-CD2 4.38Å
378P97Very high97.7Very high22 Ų2237.9 Ų37.914%0.14319%0.193CC..  trans-66.2151.3178.331.3-36.1000111.3E380 H381 L382P378-E380 PolarHBondContact O-N 3.37Å; P378-E380 VanDerWaalsContact O-N 3.12Å; P378-H381 HydrophobicContact CG-CB 4.11Å; P378-H381 WeakPolarHBondContact CG-ND1 3.25Å; P378-H381 PolarHBondContact O-N 3.45Å; P378-L382 PolarHBondContact O-N 3.4Å
379Y98.1Very high97.7Very high20 Ų2038.3 Ų38.38%0.07820%0.196CC..G310 helixtrans-52.3-36.5-176.7177.2-99.5000113.6P138 L289 R292 L293 K296 I359 W368 H381 L382P138-Y379 HydrophobicContact CB-CD1 3.92Å; P138-Y379 HydrophobicContact CB-CG 3.78Å; P138-Y379 VanDerWaalsContact CG-CB 3.41Å; P138-Y379 HydrophobicContact CG-CD1 4.29Å; P138-Y379 HydrophobicContact CG-CG 4.08Å; L289-Y379 HydrophobicContact CB-CE2 3.9Å; L289-Y379 HydrophobicContact CD2-CD2 4.04Å; L289-Y379 HydrophobicContact CD2-CE2 4.1Å; L289-Y379 HydrophobicContact CD2-CG 4.44Å; L289-Y379 HydrophobicContact CG-CE2 4.14Å; L289-Y379 PolarHBondContact O-OH 3.38Å; R292-Y379 WeakPolarHBondContact CB-OH 3.47Å; L293-Y379 HydrophobicContact CB-CE2 4.31Å; L293-Y379 PolarHBondContact N-OH 2.85Å; K296-Y379 PolarHBondContact NZ-O 3.27Å; I359-Y379 HydrophobicContact CD1-CD2 4.35Å; I359-Y379 HydrophobicContact CD1-CE2 4.03Å; W368-Y379 HydrophobicContact CH2-CD2 4.28Å; W368-Y379 HydrophobicContact CH2-CG 4.43Å; W368-Y379 HydrophobicContact CZ3-CD2 4.48Å; Y379-H381 PolarHBondContact O-N 3.11Å; Y379-L382 HydrophobicContact CD2-CD1 4.14Å; Y379-L382 PolarHBondContact O-N 3.48Å
380E95.9Very high97.6Very high81 Ų8139.6 Ų39.638%0.37920%0.199SC..G310 helixtrans-55.2-42.7177.4-68.162.7-138.800110.9K296 P378K296-E380 PolarHBondContact NZ-O 2.89Å; P378-E380 PolarHBondContact O-N 3.37Å; P378-E380 VanDerWaalsContact O-N 3.12Å
381H97.4Very high97.5Very high76 Ų7639.7 Ų39.735%0.35220%0.2SC..G310 helixtrans-88-5.8-176.3-63.5172.3000114.3S344 M345 P378 Y379S344-H381 WeakPolarHBondContact CA-O 3.39Å; S344-H381 WeakPolarHBondContact OG-CB 3.49Å; M345-H381 HydrophobicContact CG-CB 3.96Å; M345-H381 PolarHBondContact N-O 2.83Å; P378-H381 HydrophobicContact CG-CB 4.11Å; P378-H381 WeakPolarHBondContact CG-ND1 3.25Å; P378-H381 PolarHBondContact O-N 3.45Å; Y379-H381 PolarHBondContact O-N 3.11Å
382L98.4Very high97.4Very high1 Ų138.6 Ų38.61%0.00519%0.192CC..EExtended strand (participates in β ladder)trans-67.9134.3176-62-178.2000111.4L293 K296 F353 Y358 W368 A377 P378 Y379L293-L382 HydrophobicContact CD1-CB 4.02Å; L293-L382 WeakPolarHBondContact CD1-O 3.41Å; K296-L382 PolarHBondContact NZ-O 3.37Å; F353-L382 HydrophobicContact CE2-CD2 4.38Å; F353-L382 HydrophobicContact CZ-CD2 4.04Å; Y358-L382 HydrophobicContact CD1-CD1 3.91Å; Y358-L382 HydrophobicContact CD1-CD2 4.4Å; Y358-L382 HydrophobicContact CE1-CD1 3.96Å; Y358-L382 HydrophobicContact CE1-CD2 4.04Å; W368-L382 HydrophobicContact CZ3-CD1 4.32Å; A377-L382 HydrophobicContact CB-CD2 4.38Å; P378-L382 PolarHBondContact O-N 3.4Å; Y379-L382 HydrophobicContact CD2-CD1 4.14Å; Y379-L382 PolarHBondContact O-N 3.48Å
383I98.4Very high97.3Very high20 Ų2042.2 Ų42.210%0.10321%0.209CC..EExtended strand (participates in β ladder)trans-123.3151.3175.455.5162.3000110.2R299 C342 R343 M345R299-I383 HydrophobicContact CB-CD1 4.5Å; R299-I383 VanDerWaalsContact CD-CD1 3.46Å; C342-I383 VanDerWaalsContact CA-O 3.3Å; C342-I383 WeakPolarHBondContact CA-O 3.44Å; C342-I383 PolarHBondContact SG-O 2.68Å; R343-I383 HydrophobicContact CG-CD1 4.19Å; R343-I383 HydrophobicContact CG-CG1 4.24Å; R343-I383 PolarHBondContact N-O 2.82Å; R343-I383 WeakPolarHBondContact O-CG1 3.49Å; R343-I383 PolarHBondContact O-N 2.93Å; M345-I383 HydrophobicContact CB-CG2 4.27Å; M345-I383 HydrophobicContact CE-CG2 3.98Å
384I98.7Very high97Very high5 Ų544.5 Ų44.53%0.02623%0.226CC..EExtended strand (participates in β ladder)trans-91.5128162.2-57176000107.3L293 R294 I298 R299 I340 P341 M389L293-I384 HydrophobicContact CD2-CG1 4.43Å; L293-I384 HydrophobicContact CG-CD1 4.3Å; L293-I384 HydrophobicContact CG-CG1 4.1Å; R294-I384 HydrophobicContact CG-CD1 4.08Å; I298-I384 HydrophobicContact CG1-CB 4.45Å; I298-I384 HydrophobicContact CG1-CG2 4.14Å; I298-I384 HydrophobicContact CG2-CG2 4.37Å; R299-I384 WeakPolarHBondContact CB-O 3.22Å; R299-I384 PolarHBondContact N-O 2.71Å; I340-I384 HydrophobicContact CG2-CD1 3.92Å; I340-I384 HydrophobicContact CG2-CG1 3.97Å; I340-I384 HydrophobicContact CG2-CG2 4.25Å; P341-I384 WeakPolarHBondContact O-CA 3.34Å; I384-M389 HydrophobicContact CG2-CE 3.44Å; I384-M389 VanDerWaalsContact CG2-CE 3.44Å
385D98.4Very high96.5Very high0 Ų038.6 Ų38.60%019%0.194CC..EExtended strand (participates in β ladder)trans-90.6109.6-173-155.9-63000111.5S304 P341 R343 L387 F388 M389S304-D385 WeakPolarHBondContact CB-OD1 3.5Å; S304-D385 PolarHBondContact OG-OD1 3.31Å; S304-D385 PolarHBondContact OG-OD2 2.93Å; P341-D385 PolarHBondContact O-N 3.12Å; R343-D385 IonicContact CZ-OD2 3.27Å; R343-D385 IonicContact NE-OD2 3.02Å; R343-D385 PolarHBondContact NE-OD2 3.29Å; R343-D385 IonicContact NH2-OD2 2.69Å; R343-D385 PolarHBondContact NH2-OD2 3.47Å; D385-L387 VanDerWaalsContact C-N 3.35Å; D385-L387 PolarHBondContact O-N 2.99Å; D385-L387 PolarHBondContact OD1-N 3.39Å; D385-F388 HydrophobicContact CB-CB 4.45Å; D385-F388 HydrophobicContact CB-CD2 4.26Å; D385-F388 PolarHBondContact O-N 3.2Å; D385-M389 PolarHBondContact O-N 3.06Å
386G97.8Very high96Very high3 Ų338.4 Ų38.43%0.03121%0.207CC..Hα-helixtrans-63.4-35.9-17300000114.3R299 F388 M389 E390R299-G386 VanDerWaalsContact O-CA 3.29Å; R299-G386 WeakPolarHBondContact O-CA 3.43Å; R299-G386 PolarHBondContact O-N 3.27Å; R299-G386 VanDerWaalsContact O-N 3.09Å; G386-F388 VanDerWaalsContact C-N 3.35Å; G386-F388 PolarHBondContact O-N 3.49Å; G386-M389 WeakPolarHBondContact O-CB 3.24Å; G386-M389 PolarHBondContact O-N 3.28Å; G386-M389 VanDerWaalsContact O-N 3.13Å; G386-E390 WeakPolarHBondContact O-CG 3.32Å; G386-E390 PolarHBondContact O-N 3.46Å
387L96.9Very high95.4Very high4 Ų439.7 Ų39.72%0.02122%0.219CC..Hα-helixtrans-65.1-42.1179.4-178.863000110.9P301 R305 I308 D385 M389 E390 I391 F403P301-L387 HydrophobicContact CB-CB 3.99Å; P301-L387 HydrophobicContact CB-CD1 4.4Å; R305-L387 HydrophobicContact CG-CD1 4.05Å; R305-L387 HydrophobicContact CG-CD2 3.97Å; I308-L387 HydrophobicContact CD1-CD2 3.43Å; I308-L387 VanDerWaalsContact CD1-CD2 3.43Å; D385-L387 VanDerWaalsContact C-N 3.35Å; D385-L387 PolarHBondContact O-N 2.99Å; D385-L387 PolarHBondContact OD1-N 3.39Å; L387-M389 VanDerWaalsContact C-N 3.3Å; L387-M389 PolarHBondContact O-N 3.46Å; L387-E390 WeakPolarHBondContact CD1-OE2 3.33Å; L387-E390 PolarHBondContact O-N 3.07Å; L387-I391 HydrophobicContact CD1-CD1 4.19Å; L387-I391 HydrophobicContact CG-CD1 3.95Å; L387-I391 WeakPolarHBondContact O-CD1 3.25Å; L387-I391 WeakPolarHBondContact O-CG1 3.47Å; L387-I391 PolarHBondContact O-N 3.43Å; L387-F403 HydrophobicContact CD2-CE1 3.96Å; L387-F403 HydrophobicContact CD2-CZ 4.17Å
388F97.4Very high95.1Very high0 Ų040 Ų400%022%0.222CC..Hα-helixtrans-69.2-29.9174.6-76.4-89.1000112.1V327 L329 P341 L350 D385 G386 I391 L392 I401 F403V327-F388 HydrophobicContact CB-CE1 4.22Å; V327-F388 HydrophobicContact CB-CZ 4.23Å; V327-F388 HydrophobicContact CG1-CE1 3.69Å; V327-F388 HydrophobicContact CG1-CZ 3.74Å; V327-F388 HydrophobicContact CG2-CZ 4.34Å; L329-F388 HydrophobicContact CD2-CD1 4.02Å; L329-F388 HydrophobicContact CD2-CE1 4.33Å; P341-F388 HydrophobicContact CB-CB 3.5Å; P341-F388 HydrophobicContact CB-CG 4.47Å; P341-F388 HydrophobicContact CG-CB 3.82Å; L350-F388 HydrophobicContact CB-CZ 4.44Å; L350-F388 WeakPolarHBondContact O-CE2 3.33Å; D385-F388 HydrophobicContact CB-CB 4.45Å; D385-F388 HydrophobicContact CB-CD2 4.26Å; D385-F388 PolarHBondContact O-N 3.2Å; G386-F388 VanDerWaalsContact C-N 3.35Å; G386-F388 PolarHBondContact O-N 3.49Å; F388-I391 PolarHBondContact O-N 3Å; F388-L392 VanDerWaalsContact O-CB 3.26Å; F388-L392 WeakPolarHBondContact O-CB 3.41Å; F388-L392 WeakPolarHBondContact O-CD1 3.3Å; F388-L392 WeakPolarHBondContact O-CG 3.44Å; F388-L392 PolarHBondContact O-N 3.35Å; F388-I401 HydrophobicContact CE1-CD1 4.07Å; F388-F403 HydrophobicContact CZ-CE2 4.1Å; F388-F403 HydrophobicContact CZ-CZ 4.21Å
389M97.3Very high95Very high38 Ų3843.2 Ų43.219%0.18724%0.238CC..Hα-helixtrans-65.4-45.9173-164.670.272.600111.9I298 P341 I384 D385 G386 L387 I391 N393I298-M389 HydrophobicContact CD1-CE 4.29Å; I298-M389 HydrophobicContact CD1-CG 4.37Å; P341-M389 HydrophobicContact CG-CB 4.38Å; P341-M389 HydrophobicContact CG-CE 4.13Å; P341-M389 HydrophobicContact CG-SD 4.49Å; I384-M389 HydrophobicContact CG2-CE 3.44Å; I384-M389 VanDerWaalsContact CG2-CE 3.44Å; D385-M389 PolarHBondContact O-N 3.06Å; G386-M389 WeakPolarHBondContact O-CB 3.24Å; G386-M389 PolarHBondContact O-N 3.28Å; G386-M389 VanDerWaalsContact O-N 3.13Å; L387-M389 VanDerWaalsContact C-N 3.3Å; L387-M389 PolarHBondContact O-N 3.46Å; M389-I391 PolarHBondContact O-N 2.95Å; M389-N393 WeakPolarHBondContact O-CB 3.21Å; M389-N393 PolarHBondContact O-N 3.01Å; M389-N393 PolarHBondContact O-ND2 2.79Å
390E96.3Very high94.8Very high77 Ų7745.4 Ų45.436%0.3625%0.248SC..Hα-helixtrans-56.5-47.9173.2-68.7171.6151.200111.4P301 R305 G386 L387 N393 S394P301-E390 WeakPolarHBondContact CB-OE2 3.27Å; P301-E390 VanDerWaalsContact CG-CD 3.46Å; P301-E390 HydrophobicContact CG-CG 4.27Å; P301-E390 VanDerWaalsContact CG-OE1 3.31Å; P301-E390 WeakPolarHBondContact CG-OE1 3.26Å; R305-E390 IonicContact CZ-OE2 3.85Å; R305-E390 IonicContact NH2-OE1 2.74Å; R305-E390 PolarHBondContact NH2-OE1 3.19Å; R305-E390 IonicContact NH2-OE2 3.25Å; R305-E390 PolarHBondContact NH2-OE2 3.32Å; G386-E390 WeakPolarHBondContact O-CG 3.32Å; G386-E390 PolarHBondContact O-N 3.46Å; L387-E390 WeakPolarHBondContact CD1-OE2 3.33Å; L387-E390 PolarHBondContact O-N 3.07Å; E390-N393 PolarHBondContact O-N 2.66Å; E390-S394 WeakPolarHBondContact O-CB 3.48Å; E390-S394 PolarHBondContact O-N 3.34Å; E390-S394 VanDerWaalsContact O-N 3.14Å; E390-S394 PolarHBondContact O-OG 3.46Å
391I96.2Very high94.8Very high1 Ų141.5 Ų41.51%0.00523%0.23CC..Hα-helixtrans-67.3-44.5-177.4-65.2167.4000111.9L329 L387 F388 M389 N393 S394 C395 I401 F403 W409L329-I391 HydrophobicContact CD1-CG2 3.98Å; L329-I391 HydrophobicContact CD2-CG2 4.04Å; L387-I391 HydrophobicContact CD1-CD1 4.19Å; L387-I391 HydrophobicContact CG-CD1 3.95Å; L387-I391 WeakPolarHBondContact O-CD1 3.25Å; L387-I391 WeakPolarHBondContact O-CG1 3.47Å; L387-I391 PolarHBondContact O-N 3.43Å; F388-I391 PolarHBondContact O-N 3Å; M389-I391 PolarHBondContact O-N 2.95Å; I391-N393 PolarHBondContact O-N 2.88Å; I391-S394 PolarHBondContact O-N 3.34Å; I391-C395 PolarHBondContact O-N 2.86Å; I391-I401 HydrophobicContact CD1-CD1 3.84Å; I391-I401 HydrophobicContact CG2-CD1 4.18Å; I391-I401 HydrophobicContact CG2-CG2 4.09Å; I391-F403 HydrophobicContact CD1-CE1 3.83Å; I391-F403 HydrophobicContact CD1-CZ 3.71Å; I391-W409 HydrophobicContact CB-CZ2 4.39Å; I391-W409 HydrophobicContact CD1-CD2 4.26Å; I391-W409 HydrophobicContact CD1-CG 4.16Å; I391-W409 HydrophobicContact CG1-CD2 4.03Å; I391-W409 HydrophobicContact CG1-CG 4.35Å; I391-W409 HydrophobicContact CG1-CZ2 3.98Å; I391-W409 HydrophobicContact CG2-CD2 4.35Å; I391-W409 HydrophobicContact CG2-CE3 4.11Å; I391-W409 HydrophobicContact CG2-CH2 3.99Å; I391-W409 HydrophobicContact CG2-CZ2 4.21Å; I391-W409 HydrophobicContact CG2-CZ3 3.92Å
392L95.9Very high94.7Very high17 Ų1740.6 Ų40.69%0.08923%0.226CC..Hα-helixtrans-62-32.5179.6-75.4166.1000112.3L329 R337 L338 P341 F388L329-L392 HydrophobicContact CB-CD2 3.89Å; L329-L392 HydrophobicContact CD1-CD2 4.28Å; L329-L392 HydrophobicContact CD2-CD2 4.07Å; L329-L392 HydrophobicContact CD2-CG 4.42Å; L329-L392 HydrophobicContact CG-CD2 4.3Å; R337-L392 HydrophobicContact CG-CD2 4.27Å; R337-L392 PolarHBondContact NH2-O 3.14Å; L338-L392 HydrophobicContact CB-CD1 3.68Å; L338-L392 HydrophobicContact CB-CD2 4.08Å; P341-L392 HydrophobicContact CB-CD1 3.99Å; P341-L392 HydrophobicContact CG-CD1 3.73Å; F388-L392 VanDerWaalsContact O-CB 3.26Å; F388-L392 WeakPolarHBondContact O-CB 3.41Å; F388-L392 WeakPolarHBondContact O-CD1 3.3Å; F388-L392 WeakPolarHBondContact O-CG 3.44Å; F388-L392 PolarHBondContact O-N 3.35Å
393N94.6Very high94.5Very high128 Ų12840.5 Ų40.568%0.68423%0.226SC*.Hα-helixtrans-77.5-19173.4-67.4-15.4000113.4M389 E390 I391M389-N393 WeakPolarHBondContact O-CB 3.21Å; M389-N393 PolarHBondContact O-N 3.01Å; M389-N393 PolarHBondContact O-ND2 2.79Å; E390-N393 PolarHBondContact O-N 2.66Å; I391-N393 PolarHBondContact O-N 2.88Å
394S92.6Very high94.1Very high86 Ų8644.3 Ų44.360%0.60124%0.242SC*.Hα-helixtrans-102.5-24.7-172.5-580000115E390 I391E390-S394 WeakPolarHBondContact O-CB 3.48Å; E390-S394 PolarHBondContact O-N 3.34Å; E390-S394 VanDerWaalsContact O-N 3.14Å; E390-S394 PolarHBondContact O-OG 3.46Å; I391-S394 PolarHBondContact O-N 3.34Å
395C86.4Confident93.4Very high6 Ų649.4 Ų49.44%0.04127%0.265CS..  trans-132.995.6177.6179.80000110.9R337 I391 D397 C398 W409R337-C395 PolarHBondContact NH1-O 3.15Å; R337-C395 PolarHBondContact NH2-O 2.91Å; I391-C395 PolarHBondContact O-N 2.86Å; C395-D397 PolarHBondContact SG-OD1 3.07Å; C395-D397 VanDerWaalsContact SG-OD1 3.35Å; C395-C398 WeakPolarHBondContact CB-SG 3.4Å; C395-C398 WeakPolarHBondContact SG-CB 3.5Å; C395-C398 CovalentContact SG-SG 2.04Å; C395-C398 PolarHBondContact SG-SG 2.81Å; C395-W409 HydrophobicContact CB-CH2 3.91Å; C395-W409 HydrophobicContact CB-CZ3 3.95Å
396S86.6Confident92.5Very high104 Ų10454.3 Ų54.373%0.72729%0.291SS*.SBendtrans-80.5-20.9-179.351.50000114.2
397D86Confident91.7Very high144 Ų14455.1 Ų55.177%0.7730%0.3SS*.SBendtrans-98.82.2-170.863.1-43.7000114.2C395C395-D397 PolarHBondContact SG-OD1 3.07Å; C395-D397 VanDerWaalsContact SG-OD1 3.35Å
398C90.6Very high91.3Very high8 Ų856.7 Ų56.75%0.05431%0.311CS..  trans-118.3136.9178.4650000113.8R337 C395 P411R337-C398 PolarHBondContact NH1-O 2.66Å; C395-C398 WeakPolarHBondContact CB-SG 3.4Å; C395-C398 WeakPolarHBondContact SG-CB 3.5Å; C395-C398 CovalentContact SG-SG 2.04Å; C395-C398 PolarHBondContact SG-SG 2.81Å; C398-P411 HydrophobicContact CB-CB 3.83Å
399D94.1Very high91.1Very high89 Ų8960.4 Ų60.448%0.47633%0.325SS..SBendtrans-99.9-12175.1-72.1-26.9000113.4S328 L329 L330S328-D399 CarbonylContact C-O 3.33Å; S328-D399 VanDerWaalsContact CA-O 3.31Å; S328-D399 WeakPolarHBondContact CA-O 3.39Å; S328-D399 PolarHBondContact OG-O 3.21Å; L329-D399 PolarHBondContact N-O 2.92Å; L330-D399 HydrophobicContact CD1-CB 4.07Å; L330-D399 HydrophobicContact CD2-CB 4.29Å; L330-D399 WeakPolarHBondContact CD2-OD1 3.22Å; L330-D399 HydrophobicContact CG-CB 3.97Å
400E95.3Very high90.9Very high65 Ų6560.1 Ų60.130%0.30433%0.329SS..EExtended strand (participates in β ladder)trans-135.9148.9174.3-83.5-164.5-158.200111.5R326 M412R326-E400 IonicContact CZ-OE2 3.51Å; R326-E400 VanDerWaalsContact CZ-OE2 3.27Å; R326-E400 IonicContact NE-OE2 2.66Å; R326-E400 PolarHBondContact NE-OE2 3.25Å; R326-E400 IonicContact NH2-OE1 3.66Å; R326-E400 IonicContact NH2-OE2 2.64Å; R326-E400 PolarHBondContact NH2-OE2 3.15Å; E400-M412 HydrophobicContact CB-CB 3.81Å; E400-M412 HydrophobicContact CB-CG 4.26Å; E400-M412 PolarHBondContact O-N 2.96Å
401I95.4Very high90.8Very high0 Ų059.3 Ų59.30%033%0.33CS..EExtended strand (participates in β ladder)trans-129.1155.2174.455.5168.4000110.5R326 V327 L329 F388 I391 F403 W409 A410R326-I401 WeakPolarHBondContact CA-O 3.07Å; V327-I401 HydrophobicContact CB-CG1 4.25Å; V327-I401 PolarHBondContact N-O 3.12Å; V327-I401 WeakPolarHBondContact O-CG1 3.09Å; V327-I401 PolarHBondContact O-N 2.95Å; L329-I401 HydrophobicContact CD1-CG2 3.97Å; L329-I401 HydrophobicContact CD2-CD1 4.13Å; L329-I401 HydrophobicContact CD2-CG1 4.39Å; L329-I401 HydrophobicContact CG-CG2 4.24Å; F388-I401 HydrophobicContact CE1-CD1 4.07Å; I391-I401 HydrophobicContact CD1-CD1 3.84Å; I391-I401 HydrophobicContact CG2-CD1 4.18Å; I391-I401 HydrophobicContact CG2-CG2 4.09Å; I401-F403 HydrophobicContact CD1-CD2 4.37Å; I401-F403 HydrophobicContact CD1-CE1 4.29Å; I401-F403 HydrophobicContact CD1-CE2 3.47Å; I401-F403 VanDerWaalsContact CD1-CE2 3.47Å; I401-F403 HydrophobicContact CD1-CZ 3.43Å; I401-F403 VanDerWaalsContact CD1-CZ 3.43Å; I401-F403 HydrophobicContact CG1-CE2 4.24Å; I401-W409 HydrophobicContact CB-CE3 4.47Å; I401-W409 HydrophobicContact CG2-CE3 3.85Å; I401-W409 HydrophobicContact CG2-CZ3 4.15Å; I401-A410 WeakPolarHBondContact CA-O 3.47Å
402Q95.3Very high90.5Very high56 Ų5661.9 Ų61.926%0.26234%0.343SS..EExtended strand (participates in β ladder)trans-122.1121.1172.3-171.5179.327.900109.8S324 L325 R326 W409 A410 M412S324-Q402 VanDerWaalsContact CB-NE2 3.32Å; S324-Q402 PolarHBondContact OG-NE2 2.85Å; L325-Q402 WeakPolarHBondContact O-CA 3.05Å; R326-Q402 HydrophobicContact CG-CB 4.47Å; R326-Q402 HydrophobicContact CG-CG 4.32Å; Q402-W409 CarbonylContact O-C 3.55Å; Q402-W409 VanDerWaalsContact O-CA 3.26Å; Q402-W409 WeakPolarHBondContact O-CA 3.32Å; Q402-A410 PolarHBondContact N-O 2.8Å; Q402-A410 PolarHBondContact O-N 2.84Å; Q402-M412 HydrophobicContact CB-CE 4.05Å; Q402-M412 HydrophobicContact CB-CG 4.33Å; Q402-M412 HydrophobicContact CB-SD 4.45Å; Q402-M412 HydrophobicContact CG-CE 4.21Å
403F94.7Very high89.5Confident0 Ų070.4 Ų70.40%038%0.379CS..EExtended strand (participates in β ladder)trans-86.2145.9170.1-64.6-78.3000111.2I308 S324 L325 V327 L387 F388 I391 I401 S408 W409I308-F403 HydrophobicContact CD1-CD1 3.53Å; I308-F403 HydrophobicContact CD1-CD2 4.05Å; I308-F403 HydrophobicContact CD1-CE1 3.47Å; I308-F403 VanDerWaalsContact CD1-CE1 3.47Å; I308-F403 HydrophobicContact CD1-CE2 4Å; I308-F403 HydrophobicContact CD1-CG 3.82Å; I308-F403 HydrophobicContact CD1-CZ 3.71Å; I308-F403 HydrophobicContact CG1-CD1 4.4Å; I308-F403 HydrophobicContact CG1-CD2 4.36Å; I308-F403 HydrophobicContact CG1-CG 4.25Å; I308-F403 HydrophobicContact CG2-CB 3.92Å; I308-F403 HydrophobicContact CG2-CD1 4.48Å; I308-F403 HydrophobicContact CG2-CG 4.27Å; S324-F403 VanDerWaalsContact CA-O 3.32Å; S324-F403 WeakPolarHBondContact CA-O 3.34Å; S324-F403 WeakPolarHBondContact CB-O 3.31Å; L325-F403 HydrophobicContact CB-CB 4.37Å; L325-F403 PolarHBondContact N-O 3.46Å; L325-F403 VanDerWaalsContact N-O 3.09Å; L325-F403 PolarHBondContact O-N 3.21Å; V327-F403 HydrophobicContact CB-CE2 4.39Å; V327-F403 HydrophobicContact CG2-CD2 4.09Å; V327-F403 HydrophobicContact CG2-CE2 3.85Å; L387-F403 HydrophobicContact CD2-CE1 3.96Å; L387-F403 HydrophobicContact CD2-CZ 4.17Å; F388-F403 HydrophobicContact CZ-CE2 4.1Å; F388-F403 HydrophobicContact CZ-CZ 4.21Å; I391-F403 HydrophobicContact CD1-CE1 3.83Å; I391-F403 HydrophobicContact CD1-CZ 3.71Å; I401-F403 HydrophobicContact CD1-CD2 4.37Å; I401-F403 HydrophobicContact CD1-CE1 4.29Å; I401-F403 HydrophobicContact CD1-CE2 3.47Å; I401-F403 VanDerWaalsContact CD1-CE2 3.47Å; I401-F403 HydrophobicContact CD1-CZ 3.43Å; I401-F403 VanDerWaalsContact CD1-CZ 3.43Å; I401-F403 HydrophobicContact CG1-CE2 4.24Å; F403-S408 WeakPolarHBondContact CA-O 3.36Å; F403-W409 HydrophobicContact CD1-CB 3.66Å; F403-W409 HydrophobicContact CE1-CB 3.79Å; F403-W409 HydrophobicContact CE1-CG 4.35Å; F403-W409 HydrophobicContact CG-CB 4.45Å
404K89.7Confident88.1Confident100 Ų10069.1 Ų69.144%0.43538%0.38SS..  trans-116.1166.2177.2-56.3179.8-162.6162.60111.4L312 D406 G407 S408L312-K404 WeakPolarHBondContact CD1-O 3.37Å; K404-D406 VanDerWaalsContact C-N 3.28Å; K404-D406 WeakPolarHBondContact CB-OD1 3.41Å; K404-D406 PolarHBondContact O-N 3.43Å; K404-G407 WeakPolarHBondContact O-CA 3.49Å; K404-G407 PolarHBondContact O-N 3.27Å; K404-S408 PolarHBondContact N-O 3.35Å
405E83.4Confident86.3Confident112 Ų11272.6 Ų72.652%0.52338%0.384SS..THydrogen-bonded Turntrans-58.1-33.5-174.3-66.7167.1-161.400113.9L312 G407L312-E405 HydrophobicContact CB-CG 4.2Å; E405-G407 PolarHBondContact O-N 3.26Å
406D80.7Confident84.7Confident102 Ų10281.1 Ų81.155%0.54542%0.421SS..THydrogen-bonded Turntrans-64.6-18.7174.462.2-2.7000113.5K309 K404 S408K309-D406 WeakPolarHBondContact CE-O 3.31Å; K309-D406 PolarHBondContact NZ-O 3.14Å; K404-D406 VanDerWaalsContact C-N 3.28Å; K404-D406 WeakPolarHBondContact CB-OD1 3.41Å; K404-D406 PolarHBondContact O-N 3.43Å; D406-S408 VanDerWaalsContact CG-OG 3.25Å; D406-S408 WeakPolarHBondContact OD1-CA 3.49Å; D406-S408 WeakPolarHBondContact OD1-CB 3.35Å; D406-S408 PolarHBondContact OD1-N 3.33Å; D406-S408 PolarHBondContact OD1-OG 2.04Å; D406-S408 PolarHBondContact OD2-OG 3.46Å; D406-S408 VanDerWaalsContact OD2-OG 3.07Å
407G80.3Confident82.7Confident20 Ų2082.2 Ų82.221%0.20642%0.415CS..SBendtrans93.92.6-17300000113.9K404 E405K404-G407 WeakPolarHBondContact O-CA 3.49Å; K404-G407 PolarHBondContact O-N 3.27Å; E405-G407 PolarHBondContact O-N 3.26Å
408S88.8Confident80.9Confident38 Ų3881 Ų8127%0.26641%0.412SS..  trans-71.9163170.273.60000111.2F403 K404 D406F403-S408 WeakPolarHBondContact CA-O 3.36Å; K404-S408 PolarHBondContact N-O 3.35Å; D406-S408 VanDerWaalsContact CG-OG 3.25Å; D406-S408 WeakPolarHBondContact OD1-CA 3.49Å; D406-S408 WeakPolarHBondContact OD1-CB 3.35Å; D406-S408 PolarHBondContact OD1-N 3.33Å; D406-S408 PolarHBondContact OD1-OG 2.04Å; D406-S408 PolarHBondContact OD2-OG 3.46Å; D406-S408 VanDerWaalsContact OD2-OG 3.07Å
409W93.6Very high78.8Confident78 Ų7888.1 Ų88.130%0.29545%0.445SS..EExtended strand (participates in β ladder)trans-133.4155174.762.6-85000110.5I391 C395 I401 Q402 F403 P411I391-W409 HydrophobicContact CB-CZ2 4.39Å; I391-W409 HydrophobicContact CD1-CD2 4.26Å; I391-W409 HydrophobicContact CD1-CG 4.16Å; I391-W409 HydrophobicContact CG1-CD2 4.03Å; I391-W409 HydrophobicContact CG1-CG 4.35Å; I391-W409 HydrophobicContact CG1-CZ2 3.98Å; I391-W409 HydrophobicContact CG2-CD2 4.35Å; I391-W409 HydrophobicContact CG2-CE3 4.11Å; I391-W409 HydrophobicContact CG2-CH2 3.99Å; I391-W409 HydrophobicContact CG2-CZ2 4.21Å; I391-W409 HydrophobicContact CG2-CZ3 3.92Å; C395-W409 HydrophobicContact CB-CH2 3.91Å; C395-W409 HydrophobicContact CB-CZ3 3.95Å; I401-W409 HydrophobicContact CB-CE3 4.47Å; I401-W409 HydrophobicContact CG2-CE3 3.85Å; I401-W409 HydrophobicContact CG2-CZ3 4.15Å; Q402-W409 CarbonylContact O-C 3.55Å; Q402-W409 VanDerWaalsContact O-CA 3.26Å; Q402-W409 WeakPolarHBondContact O-CA 3.32Å; F403-W409 HydrophobicContact CD1-CB 3.66Å; F403-W409 HydrophobicContact CE1-CB 3.79Å; F403-W409 HydrophobicContact CE1-CG 4.35Å; F403-W409 HydrophobicContact CG-CB 4.45Å; W409-P411 HydrophobicContact CZ3-CG 4.11Å
410A92.8Very high76.4Confident31 Ų3192.1 Ų92.126%0.25646%0.46SS..EExtended strand (participates in β ladder)trans-134.4144.7172.400000110.5I401 Q402 M412I401-A410 WeakPolarHBondContact CA-O 3.47Å; Q402-A410 PolarHBondContact N-O 2.8Å; Q402-A410 PolarHBondContact O-N 2.84Å; A410-M412 PolarHBondContact O-N 2.83Å
411P93.3Very high73.9Confident61 Ų6194.9 Ų94.940%0.39648%0.481SS..EExtended strand (participates in β ladder)trans-57.4132.1165.8-24.835.2000111.4C398 W409 K413C398-P411 HydrophobicContact CB-CB 3.83Å; W409-P411 HydrophobicContact CZ3-CG 4.11Å; P411-K413 PolarHBondContact O-N 3.47Å
412M89.5Confident71.4Confident55 Ų5599.7 Ų99.727%0.27152%0.515SS..  trans-75113.1165.5-85.8-61.5-158.200108.9R326 E400 Q402 A410 S414R326-M412 HydrophobicContact CG-CE 3.83Å; E400-M412 HydrophobicContact CB-CB 3.81Å; E400-M412 HydrophobicContact CB-CG 4.26Å; E400-M412 PolarHBondContact O-N 2.96Å; Q402-M412 HydrophobicContact CB-CE 4.05Å; Q402-M412 HydrophobicContact CB-CG 4.33Å; Q402-M412 HydrophobicContact CB-SD 4.45Å; Q402-M412 HydrophobicContact CG-CE 4.21Å; A410-M412 PolarHBondContact O-N 2.83Å; M412-S414 PolarHBondContact O-N 2.89Å
413K76.9Confident69Low196 Ų196101.6 Ų101.685%0.85254%0.54SS*.  trans-65.7121170.8-66.1-174.9179.5-176.80108.6P411 K415P411-K413 PolarHBondContact O-N 3.47Å; K413-K415 PolarHBondContact O-N 2.94Å; K413-K415 VanDerWaalsContact O-N 3.11Å
414S63.3Low66.5Low101 Ų101106.8 Ų106.871%0.70658%0.577SS**  trans-61.5116170.247.80000108.6M412 K416M412-S414 PolarHBondContact O-N 2.89Å; S414-K416 PolarHBondContact O-N 2.94Å
415K55.3Low64.1Low158 Ų158111.2 Ų111.269%0.68759%0.592SS**  trans-72.182.3178.6-164.3-167.2-178.5-158.90108.5K413 E417K413-K415 PolarHBondContact O-N 2.94Å; K413-K415 VanDerWaalsContact O-N 3.11Å; K415-E417 HydrophobicContact CD-CB 4.46Å; K415-E417 VanDerWaalsContact CE-CD 3.47Å; K415-E417 VanDerWaalsContact CE-OE1 3.24Å; K415-E417 WeakPolarHBondContact CE-OE1 3.31Å; K415-E417 VanDerWaalsContact CE-OE2 3.31Å; K415-E417 WeakPolarHBondContact CE-OE2 3.24Å; K415-E417 HydrophobicContact CG-CB 4.38Å; K415-E417 IonicContact NZ-OE1 3.52Å; K415-E417 PolarHBondContact NZ-OE1 2.93Å; K415-E417 IonicContact NZ-OE2 3.5Å; K415-E417 PolarHBondContact NZ-OE2 2.83Å; K415-E417 PolarHBondContact O-N 3.05Å
416K52.4Low62Low185 Ų185113.1 Ų113.180%0.80461%0.606SS**  trans-66.474.7163.6-82-169.2174.3-177.10108.6S414 V418S414-K416 PolarHBondContact O-N 2.94Å; K416-V418 PolarHBondContact O-N 2.83Å
417E44.7Very low60Low128 Ų128110.5 Ų110.560%0.59860%0.602SS**  trans-73.771.7166.9-168146.9-122.700108K415 Q419K415-E417 HydrophobicContact CD-CB 4.46Å; K415-E417 VanDerWaalsContact CE-CD 3.47Å; K415-E417 VanDerWaalsContact CE-OE1 3.24Å; K415-E417 WeakPolarHBondContact CE-OE1 3.31Å; K415-E417 VanDerWaalsContact CE-OE2 3.31Å; K415-E417 WeakPolarHBondContact CE-OE2 3.24Å; K415-E417 HydrophobicContact CG-CB 4.38Å; K415-E417 IonicContact NZ-OE1 3.52Å; K415-E417 PolarHBondContact NZ-OE1 2.93Å; K415-E417 IonicContact NZ-OE2 3.5Å; K415-E417 PolarHBondContact NZ-OE2 2.83Å; K415-E417 PolarHBondContact O-N 3.05Å; E417-Q419 HydrophobicContact CG-CB 4.46Å; E417-Q419 PolarHBondContact O-N 2.84Å
418V48.8Very low58Low119 Ų119116 Ų11672%0.72163%0.632SS**  trans-69.580.3160.5-177.50000105.4K416 E420K416-V418 PolarHBondContact O-N 2.83Å; V418-E420 PolarHBondContact O-N 2.8Å
419Q45.9Very low55.6Low157 Ų157121.1 Ų121.173%0.73466%0.656SS**  trans-70.685167.9-171.6171.912.300106.5E417 V421E417-Q419 HydrophobicContact CG-CB 4.46Å; E417-Q419 PolarHBondContact O-N 2.84Å; Q419-V421 VanDerWaalsContact C-N 3.33Å; Q419-V421 PolarHBondContact O-N 3.09Å
420E45.5Very low52.6Low172 Ų172122.1 Ų122.180%0.80468%0.675SS**  trans-64.295.4175.9-174.2167.1-135.900108V418 S422V418-E420 PolarHBondContact O-N 2.8Å; E420-S422 PolarHBondContact O-N 3.01Å
421V41.7Very low49.8Very low123 Ų123127.3 Ų127.375%0.74570%0.699SS**  trans-71.387.4177.5-178.20000107.5Q419 A423Q419-V421 VanDerWaalsContact C-N 3.33Å; Q419-V421 PolarHBondContact O-N 3.09Å; V421-A423 VanDerWaalsContact C-N 3.32Å; V421-A423 PolarHBondContact O-N 3.46Å
422S44Very low47.1Very low102 Ų102132.2 Ų132.271%0.71372%0.721SS**  trans-62.992.1173.5590000109.3E420 S424E420-S422 PolarHBondContact O-N 3.01Å; S422-S424 PolarHBondContact O-N 3.36Å
423A44.6Very low44.5Very low95 Ų95133.8 Ų133.879%0.78574%0.737SS**  trans-7172178.400000110.7V421 Y425V421-A423 VanDerWaalsContact C-N 3.32Å; V421-A423 PolarHBondContact O-N 3.46Å; A423-Y425 PolarHBondContact O-N 2.88Å
424S42.5Very low42.5Very low109 Ų109134.4 Ų134.476%0.76273%0.734SS**  trans-70.1110.6176.4-166.30000109.2S422S422-S424 PolarHBondContact O-N 3.36Å
425Y39.1Very low41.1Very low193 Ų193135.1 Ų135.176%0.75773%0.734SS**  trans-71.9140.8178.8122.2-81.6000110.7A423 G427A423-Y425 PolarHBondContact O-N 2.88Å; Y425-G427 PolarHBondContact O-N 2.87Å; Y425-G427 WeakPolarHBondContact OH-CA 3.46Å
426N39.3Very low40.1Very low153 Ų153133.8 Ų133.882%0.81874%0.735SS**  trans-8097.9173.4-79.1-15.6000110.1
427G37.3Very low39.2Very low46 Ų46129.8 Ų129.847%0.47473%0.73SS.*  trans-92137.5159.700000110.3Y425Y425-G427 PolarHBondContact O-N 2.87Å; Y425-G427 WeakPolarHBondContact OH-CA 3.46Å
428V39.8Very low38.8Very low137 Ų137130.7 Ų130.783%0.8373%0.734SS**  trans-103.8157.6-177.6-70.60000113
429D37.3Very low38.1Very low145 Ų145131.1 Ų131.178%0.77573%0.728SS**  trans116.5146.1140.4-138-37.4000118.2
430S31.8Very low37.6Very low98 Ų98129.5 Ų129.569%0.68572%0.72SS**  trans76.385.7154.4-65.60000120.5
431D32.5Very low37.2Very low140 Ų140127.9 Ų127.975%0.74971%0.711SS**  26.6123.8123.1-171.631.8000120.1
432L36.6Very low36.8Very low165 Ų165133.4 Ų133.486%0.86472%0.718SS**  -164164.1123.7-105.8170.8000111.1
433S35.8Very low36.1Very low88 Ų88131.9 Ų131.962%0.61572%0.719SS**  trans-130.4153.3-159.555.60000116
434R35.6Very low35.6Very low209 Ų209133.5 Ų133.579%0.78972%0.724SS**  trans136.7133.8132.8-74.4173.760.5171.41117.2
435T33.6Very low35.4Very low116 Ų116133.1 Ų133.171%0.71272%0.721SS**  trans64.8144.4140.651.20000121
436D34.3Very low35.1Very low130 Ų130131.5 Ų131.570%0.69573%0.726SS**  cis-170.4-178.6-9.8-174.127.1000111H438D436-H438 IonicContact OD1-CD2 2.94Å
437S32Very low35.1Very low100 Ų100131 Ų13170%0.69972%0.723SS**  trans82.3109.1175.367.70000116.2
438H37.3Very low35.1Very low148 Ų148135.8 Ų135.869%0.68574%0.738SS**  75.6132.660.6-73.9-112.5000112.7D436D436-H438 IonicContact OD1-CD2 2.94Å
439E34.2Very low34.8Very low128 Ų128136 Ų13660%0.59873%0.734SS**  cis-164.9153.65.7-131.6-179.5-143.500115.9
440H35.8Very low34.9Very low122 Ų122138.1 Ų138.157%0.56574%0.737SS**  trans66.7154.1142-76-9000122.6
441K36Very low35.3Very low139 Ų139142.2 Ų142.260%0.60474%0.742SS**  cis-160.7140.6-4.2-123.3159.7-179.71490112.8
442R34Very low35.9Very low238 Ų238141.8 Ų141.890%0.89874%0.744SS**  trans60.7143155-64.6170.4177.3-179.4-2.8119.2
443G29.7Very low36Very low71 Ų71141 Ų14173%0.73274%0.741SS**  cis162.3178.5-8.400000114.6
444S33.9Very low36.4Very low128 Ų128143.5 Ų143.590%0.89575%0.752SS**  trans84.5136.5175.4-157.60000118.7
445S37Very low37.1Very low101 Ų101140.3 Ų140.371%0.70675%0.749SS**  trans-80.2153.8-175.9-370000114
446N33.1Very low37.4Very low159 Ų159141 Ų14185%0.8575%0.748SS**  -169.2144.6101.7-109.75.7000113
447D40.3Very low37.8Very low142 Ų142142.1 Ų142.176%0.75975%0.754SS**  trans-73.8151.1167.5-101.3-62.1000112.2
448N35.7Very low38.8Very low148 Ų148142.9 Ų142.979%0.79175%0.754SS**  trans-179.278.4145.6-104.5-69.6000110.8
449N35.5Very low38.8Very low141 Ų141144 Ų14475%0.75477%0.765SS**  trans-100.290.6173.6-170.43.1000111.1K451N449-K451 PolarHBondContact O-N 3.19Å
450K38.7Very low39.3Very low189 Ų189146 Ų14682%0.82278%0.78SS**  trans-8192.2172.6-79.1-171.1174-176.90110.7
451K39.9Very low39.4Very low185 Ų185146.1 Ų146.180%0.80479%0.789SS**PPolyproline II helixtrans-74151165.1-130.6177.3-178.7-175.20109.9N449N449-K451 PolarHBondContact O-N 3.19Å
452V44.1Very low39.5Very low131 Ų131145.9 Ų145.979%0.79481%0.805SS**PPolyproline II helixtrans-95.7133.1175.31760000108.9
453D39.7Very low39.6Very low148 Ų148138.3 Ų138.379%0.79179%0.788SS**PPolyproline II helixtrans-74.1142.5178.8-63.3-55.5000112.1
454V44.4Very low40.1Very low141 Ų141143 Ų14386%0.85579%0.791SS**  trans-110.5119.3171.4177.30000107.3
455I51Low40.2Very low141 Ų141145.3 Ų145.372%0.72379%0.793SS**  trans-85.7115.5-179.3-54.8175.2000108.7L457I455-L457 HydrophobicContact CG2-CD2 4.01Å; I455-L457 HydrophobicContact CG2-CG 4.04Å
456D39.6Very low40.6Very low130 Ų130148.6 Ų148.670%0.69580%0.797SS**  trans-84.8145.7164.7-166.7-2.7000109.7T458D456-T458 PolarHBondContact OD1-N 3.42Å
457L43.1Very low40.5Very low154 Ų154150 Ų15081%0.80680%0.799SS**  trans-13537.1-173.9-73.4178.9000112.9I455I455-L457 HydrophobicContact CG2-CD2 4.01Å; I455-L457 HydrophobicContact CG2-CG 4.04Å
458T51.6Low40.4Very low116 Ų116150 Ų15071%0.71280%0.799SS**  trans-132.166.9169.856.20000114.3D456D456-T458 PolarHBondContact OD1-N 3.42Å
459L37.3Very low40.2Very low173 Ų173150.9 Ų150.991%0.90680%0.804SS**  trans-144.6131.9149.5-77.7-174.7000110.3
460D44.2Very low39.9Very low170 Ų170152.2 Ų152.291%0.90981%0.806SS**  trans-82.9135174.2-68.4-69.1000111.3
461T38.8Very low40.2Very low124 Ų124147.9 Ų147.976%0.76180%0.797SS**  trans-139.5123.3162.8-58.70000110.4
462S38.8Very low40.2Very low134 Ų134144.4 Ų144.494%0.93779%0.793SS**  trans-147.9117.6148.1-164.70000107.2
463S36.4Very low40.5Very low78 Ų78143.3 Ų143.355%0.54579%0.789SS.*  trans-128.2127.6-156.154.70000110.7
464E38.6Very low40Very low170 Ų170145.1 Ų145.179%0.79479%0.789SS**  trans44.7126.5145.230.6-176.4144.300120.9
465D37.4Very low39.3Very low176 Ų176149 Ų14994%0.94179%0.789SS**  trans-142.2135.7143.4-99.2-42.9000106.4
466E44.3Very low38.2Very low170 Ų170149.1 Ų149.179%0.79480%0.795SS**  trans-107151.3-169.5-61.2-172.7124.600114.2
467Q31.4Very low37.7Very low188 Ų188148.3 Ų148.388%0.87980%0.799SS**  trans-158.3144145.3-149.37697.700112.4
468D37.6Very low37.3Very low144 Ų144147 Ų14777%0.7780%0.799SS**  trans-57.4148.2-176.3-80.2-62.2000117.2
469D31.9Very low36.1Very low165 Ų165146.1 Ų146.188%0.88280%0.798SS**  -171.9153.6101.5-123.7-40.6000113.1
470E29.4Very low35.9Very low170 Ų170145 Ų14579%0.79479%0.792SS**  trans-120.4-176.9-179.4-127.2-149.3140.400110.6
471P45.2Very low35.1Very low98 Ų98141.9 Ų141.964%0.63678%0.784SS**  cis-120.5-133-41.836-16.8000108.9
472P38.7Very low35.3Very low112 Ų112141.4 Ų141.473%0.72778%0.782SS**  cis-125.2177.6-36.131.9-12.1000114.4
473P51.3Low34.9Very low108 Ų108142 Ų14270%0.70178%0.78SS**  trans-104.5155.5-178.537.7-34.7000116.4
474K29.5Very low34.7Very low186 Ų186143.1 Ų143.181%0.80979%0.788SS**  trans172.8134.4142.6-93.9145.6-162.5161.40117.9
475R28.9Very low34.8Very low223 Ų223140.7 Ų140.784%0.84279%0.787SS**  trans69.6119.2135.8-67.1175.9176.7-178-1.9125.7
476V28.1Very low35.3Very low142 Ų142138 Ų13886%0.86178%0.779SS**  64.3140.4121.4-174.30000122.6
477C28.6Very low35.6Very low113 Ų113135.6 Ų135.676%0.76478%0.778SS**  trans-81178.4-178.2-42.20000115.9
478P35.1Very low35.5Very low127 Ų127134.1 Ų134.183%0.82578%0.776SS**  -159.4169.4105.642.5-24.2000120.1
479S27.2Very low35.6Very low97 Ų97136.7 Ų136.768%0.67878%0.781SS**  trans89.3106.6135-1710000126.6
480L31.9Very low35.4Very low151 Ų151132.3 Ų132.379%0.79177%0.774SS**  63.7113.1126.7-55.8175.4000126.6
481S27.1Very low35.6Very low104 Ų104130.2 Ų130.273%0.72777%0.773SS**  59.3175.1124.8-33.30000122.6
482P45Very low35Very low113 Ų113133.6 Ų133.673%0.73479%0.785SS**  cis-140.5-176.5-17.344.1-26.5000117.6
483V29Very low34.7Very low147 Ų147135 Ų13589%0.89179%0.786SS**  trans74.1151.5149.8168.20000122.5
484S32.8Very low33.6Very low101 Ų101137.4 Ų137.471%0.70679%0.792SS**  trans-125.8169.9179.761.10000112.5
485P40.4Very low33.5Very low119 Ų119136.2 Ų136.277%0.77379%0.789SS**  -155.8-143.391.449-26.7000114.1
486P48.1Very low33.6Very low120 Ų120130.4 Ų130.478%0.77978%0.783SS**  trans-133.1-136-130.942.3-14.1000116.2
487P51.5Low33.6Very low120 Ų120132.8 Ų132.878%0.77979%0.785SS**  trans-123.3-172-131.536.3-12.5000116.6
488N29.3Very low33.7Very low156 Ų156131.7 Ų131.783%0.83478%0.783SS**  trans-145.8175.3173.9-131.1-31.7000115.6
489K38.6Very low33.5Very low199 Ų199131.1 Ų131.187%0.86578%0.782SS**  trans-108.6162.3-149.2-56.8167.2-1771730117.3
490G29Very low34.3Very low72 Ų72132.8 Ų132.874%0.74279%0.791SS**  trans-165.1141.2159.900000112.1
491V33.1Very low34.6Very low127 Ų127132.2 Ų132.277%0.7779%0.794SS**  trans-152.8141.2-170.51700000111.6
492L32.2Very low34.8Very low168 Ų168131.6 Ų131.688%0.8880%0.795SS**  trans-175.3164.6134.5-100.7170000113.1
493N31.7Very low34.3Very low142 Ų142137.7 Ų137.776%0.75980%0.803SS**  trans-99.4158.4-163.3-70.7-26.1000115.6
494L28Very low34.6Very low159 Ų159137 Ų13783%0.83280%0.8SS**  -154.4152.3120.3-153.158.5000114.9
495H28.6Very low34.9Very low160 Ų160138.5 Ų138.574%0.74181%0.807SS**  trans-53169.9168.9-62.999000115.6
496S30.4Very low34.6Very low102 Ų102138.4 Ų138.471%0.71381%0.809SS**  cis-177.1160.9-25.461.20000108.6
497Q28.9Very low34.3Very low192 Ų192141.2 Ų141.290%0.89781%0.814SS**  trans169159151.4-93.8-75.52.300109
498A30Very low34Very low89 Ų89140.3 Ų140.374%0.73681%0.808SS**  trans-115.1158.5-170.900000114
499S32.1Very low34.6Very low115 Ų115139 Ų13980%0.80481%0.808SS**  trans-116.8133168.3-70.20000110.5
500P44Very low34.6Very low133 Ų133136.3 Ų136.386%0.86481%0.808SS**  trans-83.8152.1-178.233.4-35000113
501V36.8Very low34.7Very low139 Ų139141.3 Ų141.384%0.84281%0.812SS**  trans-115.3127.4175.6175.80000110.6
502A32.6Very low35.2Very low90 Ų90141.4 Ų141.474%0.74482%0.818SS**  trans-149.1110.3164.200000107.2
503R34.5Very low35.4Very low241 Ų241138 Ų13891%0.90981%0.809SS**  98.8110.469.2-92.9-176.8175.9171.5-0.2111
504T35.1Very low35.7Very low134 Ų134142 Ų14282%0.82282%0.815SS**  trans-87.9151.5162.1430000110.4
505P38.7Very low36.4Very low132 Ų132142 Ų14286%0.85781%0.814SS**  trans-83144.917632.9-33.8000112.2
506S33.6Very low37.1Very low116 Ų116139.2 Ų139.281%0.81181%0.81SS**  trans-104.4141.5172.455.70000111.4
507M41.6Very low38.4Very low179 Ų179140 Ų14088%0.88281%0.812SS**PPolyproline II helixtrans-77.4148.6172.2-68-67.5-115.200111.5
508P46.1Very low39.4Very low101 Ų101136.4 Ų136.466%0.65681%0.806SS**PPolyproline II helixtrans-77.6159.4172.933.4-35.3000112.2
509P41.2Very low40.3Very low129 Ų129137.6 Ų137.684%0.83881%0.806SS**PPolyproline II helixtrans-75.3158.8172.533.4-35.5000112
510V39Very low41.1Very low142 Ų142137.8 Ų137.886%0.86181%0.805SS**  trans-124.8139.5171.7177.80000108.5
511E31.8Very low40.9Very low178 Ų178139.8 Ų139.883%0.83281%0.807SS**  trans-78157.7-174.7-61.3-175.813000113.2
512S42.2Very low40.8Very low128 Ų128141 Ų14190%0.89581%0.807SS**  trans-10296.6-176.8-177.50000111.5
513S37.4Very low40.7Very low98 Ų98144.5 Ų144.569%0.68581%0.808SS**  trans-161.649.2-179.953.30000116.4
514Y36.9Very low40.7Very low226 Ų226139.8 Ų139.889%0.88680%0.801SS**  trans-157.9132.4150.5-130.5-94.7000112.6
515I43.3Very low40.4Very low158 Ų158143.4 Ų143.481%0.8180%0.801SS**  trans-120115.5172.9-58.8176.7000107.7
516P44Very low39.9Very low102 Ų102147.3 Ų147.366%0.66280%0.799SS**PPolyproline II helixtrans-76.4140.5172.331.3-32.8000110.7
517P57Low39.8Very low118 Ų118149.1 Ų149.177%0.76679%0.794SS**PPolyproline II helixtrans-73.1152.8176.430.9-35.1000111.9
518P49.5Very low39.1Very low117 Ų117150.6 Ų150.676%0.7679%0.791SS**PPolyproline II helixtrans-70.6151174.430.6-35.1000111.8
519P49.1Very low38.3Very low114 Ų114156 Ų15674%0.7480%0.8SS**PPolyproline II helixtrans-68.7151.7174.230.1-35000111.6
520P48.9Very low37.6Very low119 Ų119158.1 Ų158.177%0.77380%0.798SS**PPolyproline II helixtrans-72.4148.3-175.829.8-35.5000113
521L39.3Very low37Very low174 Ų174155.7 Ų155.791%0.91178%0.784SS**PPolyproline II helixtrans-67.2127.5167.6-64.6168.6000109.6
522I35.9Very low36.8Very low165 Ų165153.1 Ų153.185%0.84679%0.786SS**PPolyproline II helixtrans-92123.2169.1-68.1177.7000108.3
523Q30.4Very low36.1Very low164 Ų164152.9 Ų152.977%0.76677%0.774SS**PPolyproline II helixtrans-77.1159.2175.6-68.3176.3-98.100112.2
524D33.2Very low35.7Very low142 Ų142155.2 Ų155.276%0.75978%0.778SS**  trans-15.9118.2165.5-55.7-88.8000117.2
525Y29.5Very low35.8Very low210 Ų210150.1 Ų150.182%0.82477%0.773SS**  trans-121.699.9152.6-116.2-97.1000110.2H527Y525-H527 PolarHBondContact O-N 3.31Å
526R28.8Very low35.1Very low214 Ų214147.7 Ų147.781%0.80876%0.761SS**  trans-73.6112.5169.1-81.4-174.2173.4179.8-1.4109.5Y528R526-Y528 PolarHBondContact O-N 3.27Å
527H29.9Very low34.5Very low154 Ų154151.6 Ų151.671%0.71378%0.776SS**  trans-79.5104.8160-75.1-68.7000109.9Y525 Y529Y525-H527 PolarHBondContact O-N 3.31Å; H527-Y529 PolarHBondContact O-N 2.69Å
528Y27.1Very low33.2Very low209 Ų209152 Ų15282%0.8277%0.772SS**  trans-57.7131.2158-88.7-100000109.1R526R526-Y528 PolarHBondContact O-N 3.27Å
529Y30.1Very low32.2Very low215 Ų215155 Ų15584%0.84377%0.773SS**  trans-110126.2151.8-85.1-82.1000108H527H527-Y529 PolarHBondContact O-N 2.69Å
530H27.2Very low31.2Very low173 Ų173158.5 Ų158.580%0.80178%0.777SS**  trans-72.4145.3178.3-163.3-56.2000109.6
531T25.2Very low30.1Very low91 Ų91158.4 Ų158.456%0.55878%0.779SS**  trans-62.5158.7170.957.10000111.7
532S27.9Very low29.6Very low125 Ų125159.3 Ų159.387%0.87478%0.776SS**  trans-147.1116.9159.6-69.70000106.9
533D27.4Very low29.3Very low123 Ų123158.8 Ų158.866%0.65877%0.774SS**  trans-101.6133.8-160.3-74.4-72.8000113.4
534L29.8Very low29.2Very low147 Ų147160.5 Ų160.577%0.7778%0.782SS**  trans68.4167.5147.6-64.2172.2000118.6
535P38.9Very low29.1Very low119 Ų119158.5 Ų158.577%0.77378%0.78SS**  cis-123175.9-1.319.15.4000116.4
536D27.7Very low29.3Very low106 Ų106156.8 Ų156.857%0.56778%0.784SS**  trans-36147.8173-65.5-101.2000119.5N538D536-N538 PolarHBondContact OD1-ND2 3.02Å
537L31.6Very low29.6Very low185 Ų185152.6 Ų152.697%0.96978%0.778SS**  -134.7101.3123.1-80.7-176.5000110.7
538N29.4Very low29.7Very low126 Ų126153.9 Ų153.967%0.67478%0.784SS**  trans-89.1128.6171.1-94.1-71000110.8D536D536-N538 PolarHBondContact OD1-ND2 3.02Å
539F28.6Very low30Very low181 Ų181151.7 Ų151.779%0.79478%0.781SS**  trans-152.7147.2162.5-127.5-86.6000112
540F29Very low30.4Very low186 Ų186150.5 Ų150.582%0.81678%0.777SS**  trans66.368.4-179.4-60-67.6000117.8
541S25.1Very low30.9Very low117 Ų117148.3 Ų148.382%0.81877%0.771SS**  trans-79.7127.5143.6-61.10000110.5
542F28.2Very low31.3Very low193 Ų193150.7 Ų150.785%0.84678%0.777SS**  trans-156.8154.2147.9-135.9-101.1000110
543L31Very low32.1Very low154 Ų154149.7 Ų149.781%0.80677%0.766SS**  trans63.168.2-178.6-50.6-176.7000116.1
544Q28.6Very low33Very low200 Ų200150.7 Ų150.794%0.93577%0.768SS**  trans-138.874.1158.9-163.2174.573.900111.9
545S30Very low33.4Very low101 Ų101146.8 Ų146.871%0.70676%0.757SS**  trans-150.386.9177.455.50000110.1
546D33Very low33.4Very low173 Ų173144.2 Ų144.293%0.92575%0.746SS**SBendtrans173.451.8156.6-91.6-17.2000111.3
547N35.9Very low34.2Very low127 Ų127141.9 Ų141.968%0.67974%0.741SS**  trans-148.423.2-179.3-145.1-8.3000115.8
548Q31.3Very low34.7Very low180 Ų180136.2 Ų136.284%0.84172%0.722SS**SBendtrans-105.7-5.2177.9-68.5-157.1-6.600115
549H34.2Very low35.2Very low163 Ų163133.6 Ų133.676%0.75572%0.717SS**SBendtrans-83.7-24.1176.8-10946.7000114.4
550Y38.8Very low35.8Very low190 Ų190128.4 Ų128.475%0.74571%0.708SS**Hα-helixtrans-76-32.3-173.8-113.5-85.8000114.6M552Y550-M552 PolarHBondContact O-N 3.32Å
551N37.1Very low36.4Very low127 Ų127124 Ų12468%0.67970%0.7SS**Hα-helixtrans-74-26.1-174.9-74.8-41.4000113.8
552M34.2Very low36.9Very low141 Ų141122.7 Ų122.770%0.69570%0.696SS**Hα-helixtrans-77.3-28.2-175.8-163.1155.563.800112.9Y550 A556Y550-M552 PolarHBondContact O-N 3.32Å; M552-A556 PolarHBondContact O-N 2.79Å
553V44.5Very low37.4Very low104 Ų104118.3 Ų118.363%0.6369%0.69SS**Hα-helixtrans-72.8-39.9179.4-176.30000111.7A556 A557V553-A556 PolarHBondContact O-N 2.64Å; V553-A557 PolarHBondContact O-N 3.11Å
554M46.4Very low37.4Very low144 Ų144115.6 Ų115.671%0.70969%0.689SS**Hα-helixtrans-65.6-37.9177.4-80.8-67.4-172.800112.7A557 A558M554-A557 PolarHBondContact O-N 2.8Å; M554-A558 PolarHBondContact O-N 2.88Å; M554-A558 VanDerWaalsContact O-N 3.07Å
555A38.4Very low37.7Very low65 Ų65111.2 Ų111.254%0.53768%0.681SS.*Hα-helixtrans-64.8-41176.600000112.2A558 A559A555-A558 PolarHBondContact O-N 2.86Å; A555-A559 PolarHBondContact O-N 2.87Å
556A39.6Very low38.3Very low65 Ų65115.3 Ų115.354%0.53769%0.689SS.*Hα-helixtrans-66-41.417600000112.4M552 V553 A558 A559 A560M552-A556 PolarHBondContact O-N 2.79Å; V553-A556 PolarHBondContact O-N 2.64Å; A556-A558 VanDerWaalsContact C-N 3.34Å; A556-A558 PolarHBondContact O-N 3.47Å; A556-A559 PolarHBondContact O-N 2.84Å; A556-A560 PolarHBondContact O-N 2.85Å; A556-A560 VanDerWaalsContact O-N 3.14Å
557A43.7Very low38.6Very low57 Ų57114.1 Ų114.147%0.47168%0.683SS.*Hα-helixtrans-63.4-38176.900000112.7V553 M554 S561V553-A557 PolarHBondContact O-N 3.11Å; M554-A557 PolarHBondContact O-N 2.8Å; A557-S561 PolarHBondContact O-N 2.89Å; A557-S561 PolarHBondContact O-OG 2.66Å
558A41.5Very low38.6Very low67 Ų67115.9 Ų115.955%0.55469%0.686SS**Hα-helixtrans-71.4-26.7176.500000113.7M554 A555 A556 S561M554-A558 PolarHBondContact O-N 2.88Å; M554-A558 VanDerWaalsContact O-N 3.07Å; A555-A558 PolarHBondContact O-N 2.86Å; A556-A558 VanDerWaalsContact C-N 3.34Å; A556-A558 PolarHBondContact O-N 3.47Å; A558-S561 PolarHBondContact O-OG 3.18Å
559A40.9Very low38.7Very low70 Ų70114.4 Ų114.458%0.57968%0.684SS**Hα-helixtrans-76.1-37.4174.500000112.2A555 A556 S561A555-A559 PolarHBondContact O-N 2.87Å; A556-A559 PolarHBondContact O-N 2.84Å; A559-S561 VanDerWaalsContact C-N 3.34Å; A559-S561 PolarHBondContact O-N 2.78Å
560A41.3Very low38.8Very low72 Ų72114.1 Ų114.160%0.59569%0.687SS**Hα-helixtrans-72.7-21.7-178.600000114.2A556A556-A560 PolarHBondContact O-N 2.85Å; A556-A560 VanDerWaalsContact O-N 3.14Å
561S40.3Very low38.7Very low94 Ų94111.7 Ų111.766%0.65769%0.687SS**THydrogen-bonded Turntrans-86.3-3179.154.70000114.6A557 A558 A559 S563A557-S561 PolarHBondContact O-N 2.89Å; A557-S561 PolarHBondContact O-OG 2.66Å; A558-S561 PolarHBondContact O-OG 3.18Å; A559-S561 VanDerWaalsContact C-N 3.34Å; A559-S561 PolarHBondContact O-N 2.78Å; S561-S563 VanDerWaalsContact C-N 3.34Å
562A36.4Very low38.7Very low89 Ų89113.8 Ų113.874%0.73670%0.697SS**THydrogen-bonded Turntrans-872.8178.400000114.2
563S39.2Very low38.6Very low102 Ų102114.3 Ų114.371%0.71370%0.703SS**SBendtrans-140.255.1-172.8650000113.7S561S561-S563 VanDerWaalsContact C-N 3.34Å
564A31.3Very low38.2Very low96 Ų96120.2 Ų120.279%0.79371%0.713SS**  trans-145140.3164.100000109.5
565S33.6Very low37.4Very low109 Ų109122.7 Ų122.776%0.76272%0.721SS**  trans-87.7147.6-175.153.60000113.5D567S565-D567 PolarHBondContact O-N 3.2Å
566E41.9Very low37.2Very low187 Ų187127.8 Ų127.887%0.87474%0.738SS**SBendtrans11.992.9144.4-57.5179129.500117.7
567D40.5Very low36.8Very low148 Ų148129.7 Ų129.779%0.79175%0.745SS**  trans-179.9104.4131.6-114.1-28.3000111.9S565S565-D567 PolarHBondContact O-N 3.2Å
568H35.8Very low36Very low163 Ų163138 Ų13876%0.75577%0.766SS**  trans-160.68.8164-136.3-68.8000119L570H568-L570 PolarHBondContact O-N 3.22Å
569D33.2Very low35.3Very low149 Ų149140.6 Ų140.680%0.79778%0.78SS**THydrogen-bonded Turntrans-89.25.3-169.8-121.4-24.3000115.8
570L36.4Very low34.7Very low157 Ų157142.3 Ų142.382%0.82279%0.788SS**THydrogen-bonded Turntrans-1014.5-168.5-71.5178.4000116.8H568H568-L570 PolarHBondContact O-N 3.22Å
571L37.2Very low34.1Very low140 Ų140144.6 Ų144.673%0.73380%0.799SS**SBendtrans-109.6-11.5-173.1-69.7179000117.1
572L35.6Very low33.5Very low171 Ų171149.4 Ų149.490%0.89581%0.811SS**SBendtrans-88.9-14.2-177.6-115.876000115.6
573N32.7Very low33.1Very low152 Ų152154.1 Ų154.181%0.81382%0.82SS**SBendtrans-95.710.2-164-84.1-41000116.5
574R35.6Very low32.6Very low227 Ų227157.7 Ų157.786%0.85783%0.83SS**  trans-102.15.2-169.4-142.8179.8177.9159.91.7117.7
575F31.1Very low32.3Very low197 Ų197162.5 Ų162.586%0.86483%0.828SS**SBendtrans-136.777.9178.9-73.7-75.9000114.8
576L32.9Very low31.9Very low172 Ų172166.3 Ų166.390%0.90183%0.834SS**  178.9144.4122.3-92.8169.2000109.7
577P32.1Very low31.2Very low105 Ų105164.7 Ų164.768%0.68283%0.826SS**  trans-90.8161.6-169.936-36.4000114.8
578Y26.5Very low30.5Very low231 Ų231163.3 Ų163.391%0.90683%0.828SS**  trans64.6100.5170.9-86.3-84.8000118.6
579S27.7Very low30.2Very low121 Ų121160.3 Ų160.385%0.84683%0.831SS**  trans-133.3155.5135.6-163.70000109.1
580S27.9Very low29.9Very low107 Ų107159.7 Ų159.775%0.74883%0.833SS**PPolyproline II helixtrans-90.4135.9-162.1550000114.7
581S28.8Very low30Very low119 Ų119158.4 Ų158.483%0.83283%0.834SS**PPolyproline II helixtrans-61140.3170.4-43.60000112.6
582Q27.4Very low29.5Very low195 Ų195155.3 Ų155.391%0.91184%0.837SS**PPolyproline II helixtrans-103.7149.5155.8-78.4-162.3-12.100110.1
583M27.3Very low29.2Very low188 Ų188150.8 Ų150.893%0.92683%0.831SS**PPolyproline II helixtrans-91.1133.7-178.4-58.7-121.9-78.400110.2
584L28.8Very low29Very low177 Ų177149.2 Ų149.293%0.92783%0.832SS**  trans-116.7147.1155.8-152.473.3000108.9
585R24.6Very low28.7Very low197 Ų197144.2 Ų144.274%0.74383%0.827SS**  trans-131.5122.6-166.9163.2-165.8159.4-175.4-5.1108.5
586E27Very low28.6Very low190 Ų190142.4 Ų142.489%0.88883%0.825SS**  trans-149.3166.7159.2-120.6153.5-169.500110.9
587Q26.2Very low28.4Very low153 Ų153138.1 Ų138.172%0.71581%0.814SS**  trans-135.1136.1-153.8-60.4175.5-39.700112.9
588S26.6Very low28.1Very low118 Ų118139.6 Ų139.683%0.82582%0.822SS**  trans-165.1135.7153.157.80000114
589A28Very low28.1Very low100 Ų100132.1 Ų132.183%0.82681%0.807SS**  trans57.5113.1151.900000121.8
590T28.1Very low28.1Very low136 Ų136134.3 Ų134.383%0.83481%0.81SS**  trans-75.8175.5147.433.70000110.9
591P37.9Very low27.9Very low130 Ų130132.8 Ų132.884%0.84481%0.811SS**  cis-141.117319.243.3-25.1000118.6
592G27.4Very low27.7Very low76 Ų76130.5 Ų130.578%0.78481%0.806SS**  trans152.8125.2156.700000116.1
593G28.2Very low27.7Very low75 Ų75126.4 Ų126.477%0.77380%0.799SS**  trans79.1129.6177.500000113.7
594S27.9Very low27.7Very low120 Ų120125 Ų12584%0.83980%0.795SS**  cis65.8118.439.5-143.10000111.7
595T29.3Very low27.7Very low121 Ų121122.2 Ų122.274%0.74279%0.791SS**  cis-141.1169.32149.90000115.8
596L29.3Very low27.8Very low160 Ų160115.9 Ų115.984%0.83879%0.786SS**  trans-15.2156.7146.9-83.674.3000118.6
597A28.8Very low27.8Very low81 Ų81112.4 Ų112.467%0.66978%0.783SS**  cis-164.5167.21.400000115.3
598T26Very low27.8Very low137 Ų137110.7 Ų110.784%0.8478%0.784SS**  trans-41.1170.8153.247.40000117.2
599A27.2Very low27.9Very low73 Ų73110.4 Ų110.460%0.60378%0.781SS**  cis175.6177.1-21.800000108.7
600N26.5Very low27.8Very low168 Ų168110.2 Ų110.290%0.89877%0.774SS**  trans65.8158.8164.6-58.2-13.9000117.3
601G24.7Very low27.8Very low74 Ų74111.2 Ų111.276%0.76377%0.773SS**  cis147.4129.4-14.200000114.8
602G25.1Very low27.3Very low72 Ų72110.7 Ų110.774%0.74277%0.767SS**  trans84.7170.2170.900000116
603S27.2Very low27.2Very low109 Ų109112.3 Ų112.376%0.76277%0.767SS**  cis-170.7156.3-11.2-950000111.1
604N26.8Very low27.2Very low158 Ų158114.9 Ų114.985%0.84577%0.773SS**  trans64.9161.4160.6-69.6-2.3000116.9
605S29.1Very low27.2Very low119 Ų119114.8 Ų114.883%0.83277%0.772SS**  cis-161.1162.8-7.430.80000108.1
606G26.8Very low27.2Very low63 Ų63113.6 Ų113.665%0.64977%0.769SS**  cis153.7167.7-0.100000111
607S27.2Very low27.2Very low118 Ų118112.4 Ų112.483%0.82576%0.763SS**  trans67.1155.5165.2-57.80000118.2
608T25.7Very low27.4Very low117 Ų117118.2 Ų118.272%0.71877%0.768SS**  cis-168.9150.4-16.928.20000109.6
609S27.8Very low27.5Very low111 Ų111117.4 Ų117.478%0.77675%0.754SS**  trans62.8160.3158.835.20000118.8
610S26.9Very low27.7Very low97 Ų97123 Ų12368%0.67876%0.76SS**  cis-171144.8-15.848.70000113.5
611L27.2Very low28Very low156 Ų156121.1 Ų121.182%0.81775%0.75SS**  trans67.6136.5140.9-66.7170.5000124.6
612V27.5Very low28.2Very low119 Ų119127.9 Ų127.972%0.72176%0.758SS**  trans65.1115.2145.5-59.50000125.2
613S26.9Very low28.5Very low110 Ų110131.7 Ų131.777%0.76976%0.756SS**  52.9135.4118.6-49.70000123.4
614S26.7Very low28.9Very low129 Ų129135.5 Ų135.590%0.90275%0.754SS**  trans-150.3137.7151.3-74.10000112.2
615S28.3Very low29.1Very low118 Ų118134.3 Ų134.383%0.82575%0.748SS**  trans-124.8174162.560.90000106.8
616S29.4Very low29.3Very low96 Ų96132.5 Ų132.567%0.67174%0.735SS**  cis-172.9-163.729.7-169.40000109.7
617L30.4Very low29.5Very low136 Ų136138.5 Ų138.571%0.71275%0.746SS**  trans82.7119162.3-49.9-173.1000116.7
618R32.2Very low29.7Very low203 Ų203136 Ų13677%0.76674%0.738SS**  83.4149.979.5-75-173.6-169.7-173.53.8113
619E28.2Very low30Very low119 Ų119138.7 Ų138.756%0.55675%0.747SS**  cis-154.9138.37.5-124168.7141.600109.8
620R31.9Very low30.2Very low191 Ų191138.3 Ų138.372%0.72175%0.745SS**  93.8143.899.9-108.6-157.6-90.1-171.20.7119.5
621D31.1Very low30.3Very low129 Ų129137.2 Ų137.269%0.6975%0.749SS**  trans55.3120.1151.6-56.2-12.8000124.4
622K30.5Very low30.6Very low215 Ų215137.7 Ų137.794%0.93575%0.752SS**  -162.6157.3114.9-109.5174.4-177178.40113.3
623E31.7Very low30.8Very low152 Ų152136.3 Ų136.371%0.7175%0.747SS**  trans-112.6175.3-173-49.1-176.7117.400114.7
624R33.8Very low31.2Very low189 Ų189141.8 Ų141.871%0.71375%0.751SS**  trans97.1127141.5-78.8175.7-150.1-123.6-7122.6
625D32.4Very low31.5Very low133 Ų133140.5 Ų140.571%0.71174%0.742SS**  62.6146.4126.5-58.3-16.1000120.6
626S31.7Very low31.9Very low82 Ų82139.6 Ų139.657%0.57374%0.735SS**  cis-167.8178.1-339.50000112.2
627H31.9Very low32.1Very low189 Ų189142.4 Ų142.488%0.87574%0.74SS**  trans72.2157.3171.1-46.5-70.8000116.8
628G30.9Very low32.3Very low64 Ų64144 Ų14466%0.6674%0.744SS**  cis156.6163-7.800000112.7
629L32.2Very low32.3Very low174 Ų174138.7 Ų138.791%0.91174%0.743SS**  trans72.7167.4175.6-51.7174.8000117.4
630S31.7Very low32.5Very low104 Ų104137.3 Ų137.373%0.72775%0.752SS**  -173.7140.7-68.952.60000112.7
631G29.6Very low32.5Very low74 Ų74133 Ų13376%0.76376%0.757SS**  trans87.8163.1169.100000115.6
632L33.4Very low32.6Very low166 Ų166131.5 Ų131.587%0.86976%0.763SS**  cis-153.1168.7-4.9-110.7173000111.5
633S32.4Very low32.7Very low90 Ų90126 Ų12663%0.62976%0.757SS**  trans-27.4165.8170.866.20000120.2
634R34.6Very low32.7Very low224 Ų224122.9 Ų122.985%0.84576%0.757SS**  cis-173.5154.136.3-146.2172.2-178.2165.7-2113.3
635S33.9Very low32.7Very low103 Ų103121.1 Ų121.172%0.7276%0.761SS**  trans36.3153.3142.2600000124.2
636S35.5Very low32.7Very low98 Ų98125.9 Ų125.969%0.68577%0.771SS**  cis-178.2172-21.3-159.20000110
637M33.8Very low32.5Very low156 Ų156125.6 Ų125.677%0.76878%0.78SS**  trans71.1132.6168.3-66.7170.1170.100116.3
638E34Very low32.4Very low170 Ų170121.7 Ų121.779%0.79477%0.774SS**  cis78.3143.440.3-64.9178.2119.700113.4
639A34Very low32.4Very low91 Ų91126.1 Ų126.175%0.75278%0.782SS**  cis-173.7169.7-14.500000107.5
640A32Very low32.4Very low89 Ų89122.6 Ų122.674%0.73677%0.772SS**  cis-166.4171.3-9.100000109.4
641A31.5Very low32.3Very low101 Ų101124.5 Ų124.584%0.83577%0.774SS**  trans66.9158.6159.800000118.2
642A31.9Very low32.7Very low98 Ų98126.6 Ų126.681%0.8177%0.772SS**  cis-163.1179-23.100000111.6
643A33.2Very low32.7Very low99 Ų99126.5 Ų126.582%0.81877%0.77SS**  trans-27.5162165.500000119.9
644A32.7Very low32.7Very low86 Ų86126.6 Ų126.671%0.71177%0.771SS**  cis-179-172.1-14.800000110.8
645I33.9Very low32.7Very low153 Ų153123.8 Ų123.879%0.78577%0.772SS**  trans85.7121.4153.7-69.9165.1000119.5
646Y31.2Very low32.9Very low233 Ų233130.4 Ų130.491%0.91480%0.799SS**  trans31.5137.3149.9-78-105.1000123
647G27.5Very low32.8Very low75 Ų75132 Ų13277%0.77381%0.805SS**  trans164.498.5147.700000118
648S29.5Very low32.7Very low107 Ų107130.7 Ų130.775%0.74881%0.806SS**  trans6.5145.6152.4-163.20000123.3
649L32Very low32.6Very low157 Ų157128.6 Ų128.682%0.82281%0.807SS**  trans10.6137.6142.5-54.4167.1000118.5
650S31.2Very low32.5Very low100 Ų100130.8 Ų130.870%0.69981%0.81SS**  cis-139.2-144.921.6-56.80000111.1
651D31Very low32.6Very low144 Ų144133.4 Ų133.477%0.7782%0.815SS**  cis-157.3-169.50.8-137.9-60.7000112.7
652V37.7Very low32.7Very low119 Ų119135.5 Ų135.572%0.72181%0.814SS**  trans-96.9124.2-167.7177.60000115.5
653I33.6Very low32.7Very low164 Ų164138.2 Ų138.284%0.84181%0.814SS**  trans-152.4115.5146.7-49.6-178.4000104.8
654S31.6Very low32.7Very low91 Ų91141.2 Ų141.264%0.63681%0.814SS**  79.6106.351.7-165.10000115.3
655L34Very low32.7Very low165 Ų165145.8 Ų145.886%0.86482%0.822SS**  trans25113.5153.9-63.1167.7000119.5
656D38.8Very low32.6Very low242 Ų242145.2 Ų145.2100%1.29483%0.826SS**  -144.80111.5-131.36.4000108.5

Retrieved 656 of 656 residues in 321.4 ms (Link to these results)

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