A0A077ZAE8_TRITR Loading...

Lissencephaly-1 homolog

Positively regulates the activity of the minus-end directed microtubule motor protein dynein. May enhance dynein-mediated microtubule sliding by targeting dynein to the microtubule plus end. Required for several dynein- and microtubule-dependent processes.

AlphaFold DB , UniProt , Accession A0A077ZAE8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 409 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
1M59.6Low81.7Confident244 Ų244117.4 Ų117.4100%1.20259%0.593SS**  0122.80-111.7179.3-166.500107.7
2V76.9Confident82.3Confident145 Ų145109.9 Ų109.988%0.87956%0.556SS**PPolyproline II helixtrans-96125.1170.4-1790000106.7
3L80.5Confident82.7Confident90 Ų90106.1 Ų106.147%0.47153%0.531SS..PPolyproline II helixtrans-66.9138.4176.8-68.2167.5000109.3Q7 L11L3-Q7 HydrophobicContact CB-CB 4.17Å; L3-Q7 HydrophobicContact CD2-CB 4.01Å; L3-L11 HydrophobicContact CD1-CD2 3.77Å
4S87.6Confident83Confident57 Ų5798.8 Ų98.840%0.39950%0.495SS..PPolyproline II helixtrans-65.7156.9169.173.30000110.4K6 Q7 K8S4-K6 PolarHBondContact O-N 3.32Å; S4-Q7 WeakPolarHBondContact O-CB 2.99Å; S4-Q7 PolarHBondContact O-N 3.34Å; S4-Q7 VanDerWaalsContact OG-CG 3.3Å; S4-Q7 WeakPolarHBondContact OG-CG 3.5Å; S4-Q7 PolarHBondContact OG-N 3.33Å; S4-Q7 PolarHBondContact OG-OE1 2.88Å; S4-K8 PolarHBondContact O-N 3.39Å
5N83.9Confident83.4Confident134 Ų13494.9 Ų94.972%0.71748%0.476SS*.Hα-helixtrans-53.6-40.8179.6-73-16.7000112.2K8 E9N5-K8 WeakPolarHBondContact O-CB 3.36Å; N5-K8 PolarHBondContact O-N 3.5Å; N5-E9 PolarHBondContact O-N 3.28Å
6K84.4Confident83.6Confident146 Ų14689.1 Ų89.164%0.63545%0.447SS*.Hα-helixtrans-62.7-43.6175.7-173.8177.5178.1-179.90112.5S4 K8 E9 E10S4-K6 PolarHBondContact O-N 3.32Å; K6-K8 VanDerWaalsContact C-N 3.3Å; K6-K8 PolarHBondContact O-N 3.1Å; K6-E9 PolarHBondContact O-N 3.18Å; K6-E10 VanDerWaalsContact CE-OE1 3.25Å; K6-E10 WeakPolarHBondContact CE-OE1 3.37Å; K6-E10 WeakPolarHBondContact O-CG 3.48Å; K6-E10 PolarHBondContact O-N 2.74Å
7Q84.7Confident83.9Confident96 Ų9685.3 Ų85.345%0.44943%0.428SS..Hα-helixtrans-65.9-35.7176.8-71.9170.7-27.600111.9L3 S4 L11L3-Q7 HydrophobicContact CB-CB 4.17Å; L3-Q7 HydrophobicContact CD2-CB 4.01Å; S4-Q7 WeakPolarHBondContact O-CB 2.99Å; S4-Q7 PolarHBondContact O-N 3.34Å; S4-Q7 VanDerWaalsContact OG-CG 3.3Å; S4-Q7 WeakPolarHBondContact OG-CG 3.5Å; S4-Q7 PolarHBondContact OG-N 3.33Å; S4-Q7 PolarHBondContact OG-OE1 2.88Å; Q7-L11 VanDerWaalsContact O-CB 3.28Å; Q7-L11 WeakPolarHBondContact O-CB 3.21Å; Q7-L11 PolarHBondContact O-N 3.33Å
8K84.2Confident84.1Confident120 Ų12084.8 Ų84.852%0.52242%0.421SS..Hα-helixtrans-63.9-45.6175.2-172.9-177.5178.3-175.30111.1S4 N5 K6 L11 N12S4-K8 PolarHBondContact O-N 3.39Å; N5-K8 WeakPolarHBondContact O-CB 3.36Å; N5-K8 PolarHBondContact O-N 3.5Å; K6-K8 VanDerWaalsContact C-N 3.3Å; K6-K8 PolarHBondContact O-N 3.1Å; K8-L11 PolarHBondContact O-N 3.42Å; K8-N12 WeakPolarHBondContact O-CB 3.4Å; K8-N12 VanDerWaalsContact O-CG 3.25Å; K8-N12 PolarHBondContact O-N 3.39Å; K8-N12 PolarHBondContact O-OD1 3.39Å
9E84.6Confident84.4Confident107 Ų10781.6 Ų81.650%0.541%0.405SS..Hα-helixtrans-63.5-44.5175.8-74.8178.5-170.700112.5N5 K6 L11 N12 R13N5-E9 PolarHBondContact O-N 3.28Å; K6-E9 PolarHBondContact O-N 3.18Å; E9-L11 VanDerWaalsContact C-N 3.32Å; E9-L11 PolarHBondContact O-N 3.13Å; E9-N12 PolarHBondContact O-N 3.28Å; E9-R13 WeakPolarHBondContact O-CG 3.3Å; E9-R13 PolarHBondContact O-N 3.46Å
10E85.6Confident84.4Confident84 Ų8482.5 Ų82.539%0.39341%0.411SS..Hα-helixtrans-61.7-40.5176.3-74.6176-17400111.9K6 R13 A14 F46K6-E10 VanDerWaalsContact CE-OE1 3.25Å; K6-E10 WeakPolarHBondContact CE-OE1 3.37Å; K6-E10 WeakPolarHBondContact O-CG 3.48Å; K6-E10 PolarHBondContact O-N 2.74Å; E10-R13 PolarHBondContact O-N 2.88Å; E10-A14 PolarHBondContact O-N 3.1Å; E10-F46 HydrophobicContact CB-CE1 4.1Å; E10-F46 HydrophobicContact CG-CE1 4.18Å; E10-F46 HydrophobicContact CG-CZ 4.27Å
11L86.9Confident84.5Confident68 Ų6882 Ų8236%0.35642%0.416SS..Hα-helixtrans-65-45.9175.5-179.762.6000111.4L3 Q7 K8 E9 R13 A14 I15 L50L3-L11 HydrophobicContact CD1-CD2 3.77Å; Q7-L11 VanDerWaalsContact O-CB 3.28Å; Q7-L11 WeakPolarHBondContact O-CB 3.21Å; Q7-L11 PolarHBondContact O-N 3.33Å; K8-L11 PolarHBondContact O-N 3.42Å; E9-L11 VanDerWaalsContact C-N 3.32Å; E9-L11 PolarHBondContact O-N 3.13Å; L11-R13 VanDerWaalsContact C-N 3.31Å; L11-R13 PolarHBondContact O-N 2.93Å; L11-A14 PolarHBondContact O-N 3.24Å; L11-A14 VanDerWaalsContact O-N 3.17Å; L11-I15 HydrophobicContact CD1-CD1 4.3Å; L11-I15 HydrophobicContact CD1-CG1 4.45Å; L11-I15 HydrophobicContact CG-CD1 3.97Å; L11-I15 WeakPolarHBondContact O-CG1 3.45Å; L11-I15 PolarHBondContact O-N 3.45Å; L11-L50 HydrophobicContact CD1-CD1 4.28Å
12N88.3Confident85.9Confident28 Ų2874.1 Ų74.115%0.1538%0.378CS..Hα-helixtrans-58.5-43.9177.7-73.9-2.2000111.3K8 E9 A14 I15 I16 F31 L37K8-N12 WeakPolarHBondContact O-CB 3.4Å; K8-N12 VanDerWaalsContact O-CG 3.25Å; K8-N12 PolarHBondContact O-N 3.39Å; K8-N12 PolarHBondContact O-OD1 3.39Å; E9-N12 PolarHBondContact O-N 3.28Å; N12-A14 PolarHBondContact O-N 2.92Å; N12-I15 PolarHBondContact O-N 3.32Å; N12-I16 VanDerWaalsContact O-CG1 3.32Å; N12-I16 WeakPolarHBondContact O-CG1 3.39Å; N12-I16 PolarHBondContact O-N 3.44Å; N12-F31 HydrophobicContact CB-CE1 4.29Å; N12-F31 HydrophobicContact CB-CZ 4.34Å; N12-L37 HydrophobicContact CB-CD1 3.69Å
13R87.6Confident86.4Confident60 Ų6069.7 Ų69.723%0.22636%0.362CS..Hα-helixtrans-64.2-38.1176.6-68.6179.7-171.4-144.25112.7E9 E10 L11 I15 I16 D17 F46E9-R13 WeakPolarHBondContact O-CG 3.3Å; E9-R13 PolarHBondContact O-N 3.46Å; E10-R13 PolarHBondContact O-N 2.88Å; L11-R13 VanDerWaalsContact C-N 3.31Å; L11-R13 PolarHBondContact O-N 2.93Å; R13-I15 VanDerWaalsContact C-N 3.34Å; R13-I16 PolarHBondContact O-N 3.43Å; R13-D17 PolarHBondContact O-N 3.14Å; R13-D17 VanDerWaalsContact O-N 3.09Å; R13-F46 HydrophobicContact CB-CD1 4.27Å; R13-F46 HydrophobicContact CB-CD2 3.86Å; R13-F46 HydrophobicContact CB-CE1 4.25Å; R13-F46 HydrophobicContact CB-CE2 3.8Å; R13-F46 HydrophobicContact CB-CG 4.1Å; R13-F46 HydrophobicContact CB-CZ 4.01Å; R13-F46 HydrophobicContact CG-CE2 4.24Å
14A87.7Confident86.8Confident4 Ų471 Ų713%0.03336%0.361CS..Hα-helixtrans-67.4-33.3174.900000112.8E10 L11 N12 Y18 F46 L49 L50E10-A14 PolarHBondContact O-N 3.1Å; L11-A14 PolarHBondContact O-N 3.24Å; L11-A14 VanDerWaalsContact O-N 3.17Å; N12-A14 PolarHBondContact O-N 2.92Å; A14-Y18 WeakPolarHBondContact O-CB 3.18Å; A14-Y18 PolarHBondContact O-N 3Å; A14-Y18 VanDerWaalsContact O-N 3.09Å; A14-F46 HydrophobicContact CB-CD1 4.48Å; A14-L49 HydrophobicContact CB-CD2 4.35Å; A14-L50 HydrophobicContact CB-CB 4.48Å
15I88.7Confident86.7Confident41 Ų4172.1 Ų72.121%0.2137%0.369CS..Hα-helixtrans-67.8-43.6173.8-68.1165000110.6L11 N12 R13 D17 Y18 L19 F31 L50L11-I15 HydrophobicContact CD1-CD1 4.3Å; L11-I15 HydrophobicContact CD1-CG1 4.45Å; L11-I15 HydrophobicContact CG-CD1 3.97Å; L11-I15 WeakPolarHBondContact O-CG1 3.45Å; L11-I15 PolarHBondContact O-N 3.45Å; N12-I15 PolarHBondContact O-N 3.32Å; R13-I15 VanDerWaalsContact C-N 3.34Å; I15-D17 VanDerWaalsContact C-N 3.34Å; I15-D17 PolarHBondContact O-N 2.87Å; I15-Y18 PolarHBondContact O-N 3.26Å; I15-L19 HydrophobicContact CG2-CD1 3.9Å; I15-L19 HydrophobicContact CG2-CG 4.21Å; I15-L19 WeakPolarHBondContact O-CG 3.33Å; I15-L19 PolarHBondContact O-N 3.27Å; I15-F31 HydrophobicContact CB-CE1 4.02Å; I15-F31 HydrophobicContact CB-CZ 3.99Å; I15-F31 HydrophobicContact CD1-CE2 4.43Å; I15-F31 HydrophobicContact CD1-CZ 3.93Å; I15-F31 HydrophobicContact CG2-CD1 4.15Å; I15-F31 HydrophobicContact CG2-CD2 4.42Å; I15-F31 HydrophobicContact CG2-CE1 3.77Å; I15-F31 HydrophobicContact CG2-CE2 4.05Å; I15-F31 HydrophobicContact CG2-CG 4.46Å; I15-F31 HydrophobicContact CG2-CZ 3.71Å; I15-L50 HydrophobicContact CG1-CD2 4.44Å
16I87.3Confident87Confident2 Ų272.1 Ų72.11%0.0137%0.369CS..Hα-helixtrans-58.9-46.7176.6-66.5170000110.2N12 R13 Y18 L19 L20 L28 F31 L37 V42N12-I16 VanDerWaalsContact O-CG1 3.32Å; N12-I16 WeakPolarHBondContact O-CG1 3.39Å; N12-I16 PolarHBondContact O-N 3.44Å; R13-I16 PolarHBondContact O-N 3.43Å; I16-Y18 VanDerWaalsContact C-N 3.35Å; I16-Y18 PolarHBondContact O-N 2.9Å; I16-L19 PolarHBondContact O-N 3.4Å; I16-L20 VanDerWaalsContact O-CB 3.3Å; I16-L20 WeakPolarHBondContact O-CB 3.23Å; I16-L20 PolarHBondContact O-N 3.09Å; I16-L28 HydrophobicContact CB-CD1 4.25Å; I16-L28 HydrophobicContact CG2-CD1 3.65Å; I16-L28 WeakPolarHBondContact O-CD1 3.32Å; I16-F31 HydrophobicContact CD1-CD1 4.42Å; I16-F31 HydrophobicContact CD1-CE1 4.39Å; I16-F31 HydrophobicContact CG1-CD1 3.72Å; I16-F31 HydrophobicContact CG1-CE1 3.82Å; I16-L37 HydrophobicContact CD1-CB 3.97Å; I16-L37 HydrophobicContact CD1-CD1 4.1Å; I16-V42 HydrophobicContact CB-CG2 4.08Å; I16-V42 HydrophobicContact CG2-CG2 3.4Å; I16-V42 VanDerWaalsContact CG2-CG2 3.4Å
17D87.3Confident87.2Confident24 Ų2468.2 Ų68.213%0.12836%0.361CS..Hα-helixtrans-57.8-44.8175.6-173.774.7000112.6R13 I15 L20 S21 V42 A47 G48R13-D17 PolarHBondContact O-N 3.14Å; R13-D17 VanDerWaalsContact O-N 3.09Å; I15-D17 VanDerWaalsContact C-N 3.34Å; I15-D17 PolarHBondContact O-N 2.87Å; D17-L20 PolarHBondContact O-N 3.46Å; D17-S21 VanDerWaalsContact O-CB 3.3Å; D17-S21 WeakPolarHBondContact O-CB 3.32Å; D17-S21 PolarHBondContact O-N 2.84Å; D17-S21 PolarHBondContact O-OG 3.35Å; D17-V42 HydrophobicContact CB-CG1 3.73Å; D17-A47 VanDerWaalsContact OD2-CA 3.23Å; D17-A47 WeakPolarHBondContact OD2-CA 3.35Å; D17-G48 PolarHBondContact OD2-N 3.48Å
18Y88.7Confident87.3Confident76 Ų7664.6 Ų64.630%0.29834%0.344SS..Hα-helixtrans-63.2-45.4177.5178.4-98.1000112.5A14 I15 I16 L20 S21 N22 Y24 L50 E51A14-Y18 WeakPolarHBondContact O-CB 3.18Å; A14-Y18 PolarHBondContact O-N 3Å; A14-Y18 VanDerWaalsContact O-N 3.09Å; I15-Y18 PolarHBondContact O-N 3.26Å; I16-Y18 VanDerWaalsContact C-N 3.35Å; I16-Y18 PolarHBondContact O-N 2.9Å; Y18-L20 VanDerWaalsContact C-N 3.35Å; Y18-S21 WeakPolarHBondContact CA-OG 3.16Å; Y18-S21 PolarHBondContact O-OG 3.08Å; Y18-N22 WeakPolarHBondContact CD2-ND2 3.41Å; Y18-N22 VanDerWaalsContact CE2-ND2 3.27Å; Y18-N22 WeakPolarHBondContact CE2-ND2 3.47Å; Y18-N22 WeakPolarHBondContact O-CB 3.45Å; Y18-N22 PolarHBondContact O-N 2.94Å; Y18-N22 VanDerWaalsContact O-N 3.11Å; Y18-N22 PolarHBondContact O-ND2 3.27Å; Y18-Y24 HydrophobicContact CE1-CE2 4.28Å; Y18-L50 HydrophobicContact CD1-CD2 4.17Å; Y18-L50 HydrophobicContact CD2-CD2 4.16Å; Y18-L50 HydrophobicContact CG-CD2 3.74Å; Y18-E51 HydrophobicContact CD2-CG 4.11Å; Y18-E51 WeakPolarHBondContact CD2-OE1 3.36Å; Y18-E51 HydrophobicContact CE2-CG 4.12Å
19L88.9Confident87.3Confident24 Ų2464.4 Ų64.413%0.12635%0.345CS..Hα-helixtrans-64-42.4178.8-70.6175.2000111.2I15 I16 G23 Y24 L28 F31I15-L19 HydrophobicContact CG2-CD1 3.9Å; I15-L19 HydrophobicContact CG2-CG 4.21Å; I15-L19 WeakPolarHBondContact O-CG 3.33Å; I15-L19 PolarHBondContact O-N 3.27Å; I16-L19 PolarHBondContact O-N 3.4Å; L19-G23 PolarHBondContact O-N 2.82Å; L19-Y24 HydrophobicContact CD2-CD2 3.97Å; L19-Y24 HydrophobicContact CD2-CG 4.18Å; L19-Y24 PolarHBondContact O-N 3.07Å; L19-L28 HydrophobicContact CB-CB 4.25Å; L19-L28 HydrophobicContact CB-CD1 3.81Å; L19-L28 HydrophobicContact CD1-CD1 4.48Å; L19-F31 HydrophobicContact CD1-CB 4.1Å; L19-F31 HydrophobicContact CD1-CD1 4.5Å; L19-F31 HydrophobicContact CD1-CG 4.28Å
20L85.7Confident87.5Confident99 Ų9962.2 Ų62.252%0.51834%0.342SS..Hα-helixtrans-64.9-48.1177.9-175.870.6000111.6I16 D17 Y18 N22 G23 L28I16-L20 VanDerWaalsContact O-CB 3.3Å; I16-L20 WeakPolarHBondContact O-CB 3.23Å; I16-L20 PolarHBondContact O-N 3.09Å; D17-L20 PolarHBondContact O-N 3.46Å; Y18-L20 VanDerWaalsContact C-N 3.35Å; L20-N22 VanDerWaalsContact C-N 3.31Å; L20-N22 PolarHBondContact O-N 3.41Å; L20-G23 PolarHBondContact O-N 3.01Å; L20-L28 HydrophobicContact CB-CD1 4.41Å; L20-L28 HydrophobicContact CB-CD2 4.29Å; L20-L28 HydrophobicContact CD1-CD2 3.73Å
21S86Confident87.7Confident73 Ų7360.6 Ų60.651%0.5133%0.333SS..Hα-helixtrans-66.9-28.5-177.955.60000113.8D17 Y18D17-S21 VanDerWaalsContact O-CB 3.3Å; D17-S21 WeakPolarHBondContact O-CB 3.32Å; D17-S21 PolarHBondContact O-N 2.84Å; D17-S21 PolarHBondContact O-OG 3.35Å; Y18-S21 WeakPolarHBondContact CA-OG 3.16Å; Y18-S21 PolarHBondContact O-OG 3.08Å
22N88.7Confident87.7Confident78 Ų7858 Ų5842%0.41732%0.321SS..THydrogen-bonded Turntrans-96.43.8178.1-69.5-86.6000113.8Y18 L20 Y24Y18-N22 WeakPolarHBondContact CD2-ND2 3.41Å; Y18-N22 VanDerWaalsContact CE2-ND2 3.27Å; Y18-N22 WeakPolarHBondContact CE2-ND2 3.47Å; Y18-N22 WeakPolarHBondContact O-CB 3.45Å; Y18-N22 PolarHBondContact O-N 2.94Å; Y18-N22 VanDerWaalsContact O-N 3.11Å; Y18-N22 PolarHBondContact O-ND2 3.27Å; L20-N22 VanDerWaalsContact C-N 3.31Å; L20-N22 PolarHBondContact O-N 3.41Å; N22-Y24 HydrophobicContact CB-CD2 3.62Å; N22-Y24 HydrophobicContact CB-CE2 3.41Å; N22-Y24 VanDerWaalsContact CB-CE2 3.41Å
23G87.8Confident87.6Confident52 Ų5264.8 Ų64.854%0.53634%0.344SS..THydrogen-bonded Turntrans7817.3173.600000115.8L19 L20 S25L19-G23 PolarHBondContact O-N 2.82Å; L20-G23 PolarHBondContact O-N 3.01Å; G23-S25 VanDerWaalsContact C-N 3.25Å; G23-S25 PolarHBondContact O-N 3.48Å; G23-S25 PolarHBondContact O-OG 2.91Å
24Y89.1Confident87.6Confident117 Ų11769.7 Ų69.746%0.45937%0.37SS..  trans-79.266.8178.8-63-65.3000112.2Y18 L19 N22 S27 L28Y18-Y24 HydrophobicContact CE1-CE2 4.28Å; L19-Y24 HydrophobicContact CD2-CD2 3.97Å; L19-Y24 HydrophobicContact CD2-CG 4.18Å; L19-Y24 PolarHBondContact O-N 3.07Å; N22-Y24 HydrophobicContact CB-CD2 3.62Å; N22-Y24 HydrophobicContact CB-CE2 3.41Å; N22-Y24 VanDerWaalsContact CB-CE2 3.41Å; Y24-S27 PolarHBondContact O-N 3.17Å; Y24-L28 WeakPolarHBondContact O-CB 3.39Å; Y24-L28 PolarHBondContact O-N 3.47Å
25S85.3Confident87.5Confident81 Ų8170.6 Ų70.657%0.56638%0.377SS*.Hα-helixtrans-63.3-47.2-169.3-53.10000114G23 S27 L28 E29G23-S25 VanDerWaalsContact C-N 3.25Å; G23-S25 PolarHBondContact O-N 3.48Å; G23-S25 PolarHBondContact O-OG 2.91Å; S25-S27 VanDerWaalsContact C-N 3.34Å; S25-S27 PolarHBondContact O-N 3.39Å; S25-L28 WeakPolarHBondContact O-CB 3.45Å; S25-L28 PolarHBondContact O-N 3.01Å; S25-E29 PolarHBondContact O-N 3.33Å; S25-E29 VanDerWaalsContact O-N 3.1Å
26D88.8Confident87.1Confident134 Ų13474.3 Ų74.372%0.71741%0.406SS*.Hα-helixtrans-65.8-38.1-178.8-60.4-17.7000112.1S30D26-S30 PolarHBondContact O-N 3.37Å; D26-S30 PolarHBondContact O-OG 2.98Å
27S88.7Confident86.6Confident64 Ų6475.9 Ų75.945%0.44841%0.414SS..Hα-helixtrans-70.2-37.2176.1-54.70000111.6Y24 S25 F31Y24-S27 PolarHBondContact O-N 3.17Å; S25-S27 VanDerWaalsContact C-N 3.34Å; S25-S27 PolarHBondContact O-N 3.39Å; S27-F31 WeakPolarHBondContact O-CB 3.25Å; S27-F31 PolarHBondContact O-N 3.46Å
28L86.7Confident85.9Confident20 Ų2080.3 Ų80.311%0.10543%0.434CS..Hα-helixtrans-61.1-47.8176.4-177.474.9000111.2I16 L19 L20 Y24 S25 F31 C32I16-L28 HydrophobicContact CB-CD1 4.25Å; I16-L28 HydrophobicContact CG2-CD1 3.65Å; I16-L28 WeakPolarHBondContact O-CD1 3.32Å; L19-L28 HydrophobicContact CB-CB 4.25Å; L19-L28 HydrophobicContact CB-CD1 3.81Å; L19-L28 HydrophobicContact CD1-CD1 4.48Å; L20-L28 HydrophobicContact CB-CD1 4.41Å; L20-L28 HydrophobicContact CB-CD2 4.29Å; L20-L28 HydrophobicContact CD1-CD2 3.73Å; Y24-L28 WeakPolarHBondContact O-CB 3.39Å; Y24-L28 PolarHBondContact O-N 3.47Å; S25-L28 WeakPolarHBondContact O-CB 3.45Å; S25-L28 PolarHBondContact O-N 3.01Å; L28-F31 PolarHBondContact O-N 3.37Å; L28-C32 WeakPolarHBondContact O-CB 3.46Å; L28-C32 PolarHBondContact O-N 2.98Å; L28-C32 PolarHBondContact O-SG 3.39Å
29E85.9Confident84.9Confident117 Ų11780 Ų8055%0.54744%0.441SS..Hα-helixtrans-62.1-47.2180-166.7-168.5153.700111.4S25 F31 C32 R33S25-E29 PolarHBondContact O-N 3.33Å; S25-E29 VanDerWaalsContact O-N 3.1Å; E29-F31 PolarHBondContact O-N 2.98Å; E29-C32 PolarHBondContact O-N 3.34Å; E29-R33 PolarHBondContact O-N 3.18Å; E29-R33 VanDerWaalsContact O-N 3.1Å; E29-R33 IonicContact OE1-NH2 3.67Å; E29-R33 PolarHBondContact OE1-NH2 3.22Å
30S88.8Confident83.8Confident60 Ų6084.9 Ų84.942%0.4247%0.467SS..Hα-helixtrans-61.8-45178.2-57.70000111.5D26 R33 E34D26-S30 PolarHBondContact O-N 3.37Å; D26-S30 PolarHBondContact O-OG 2.98Å; S30-R33 WeakPolarHBondContact O-CB 3.43Å; S30-R33 PolarHBondContact O-N 3.03Å; S30-E34 PolarHBondContact O-N 2.89Å; S30-E34 VanDerWaalsContact O-N 3.08Å
31F89.2Confident82.7Confident50 Ų5084.9 Ų84.922%0.21947%0.465CS..Hα-helixtrans-65.5-40.7178.9-172.6-97.7000112.3N12 I15 I16 L19 S27 L28 E29 R33 E34 A35N12-F31 HydrophobicContact CB-CE1 4.29Å; N12-F31 HydrophobicContact CB-CZ 4.34Å; I15-F31 HydrophobicContact CB-CE1 4.02Å; I15-F31 HydrophobicContact CB-CZ 3.99Å; I15-F31 HydrophobicContact CD1-CE2 4.43Å; I15-F31 HydrophobicContact CD1-CZ 3.93Å; I15-F31 HydrophobicContact CG2-CD1 4.15Å; I15-F31 HydrophobicContact CG2-CD2 4.42Å; I15-F31 HydrophobicContact CG2-CE1 3.77Å; I15-F31 HydrophobicContact CG2-CE2 4.05Å; I15-F31 HydrophobicContact CG2-CG 4.46Å; I15-F31 HydrophobicContact CG2-CZ 3.71Å; I16-F31 HydrophobicContact CD1-CD1 4.42Å; I16-F31 HydrophobicContact CD1-CE1 4.39Å; I16-F31 HydrophobicContact CG1-CD1 3.72Å; I16-F31 HydrophobicContact CG1-CE1 3.82Å; L19-F31 HydrophobicContact CD1-CB 4.1Å; L19-F31 HydrophobicContact CD1-CD1 4.5Å; L19-F31 HydrophobicContact CD1-CG 4.28Å; S27-F31 WeakPolarHBondContact O-CB 3.25Å; S27-F31 PolarHBondContact O-N 3.46Å; L28-F31 PolarHBondContact O-N 3.37Å; E29-F31 PolarHBondContact O-N 2.98Å; F31-R33 VanDerWaalsContact C-N 3.29Å; F31-R33 PolarHBondContact O-N 2.81Å; F31-E34 PolarHBondContact O-N 3.45Å; F31-A35 HydrophobicContact CD1-CB 4.38Å; F31-A35 HydrophobicContact CE1-CB 4.14Å; F31-A35 HydrophobicContact CZ-CB 4.47Å; F31-A35 WeakPolarHBondContact O-CB 3.44Å; F31-A35 PolarHBondContact O-N 2.93Å
32C86Confident81.7Confident13 Ų1382.9 Ų82.99%0.08845%0.449CS..Hα-helixtrans-61.5-39.4176.1-710000111.6L28 E29 C36 L37L28-C32 WeakPolarHBondContact O-CB 3.46Å; L28-C32 PolarHBondContact O-N 2.98Å; L28-C32 PolarHBondContact O-SG 3.39Å; E29-C32 PolarHBondContact O-N 3.34Å; C32-C36 PolarHBondContact O-N 2.96Å; C32-C36 VanDerWaalsContact O-N 3.13Å; C32-L37 WeakPolarHBondContact CB-O 3.3Å; C32-L37 PolarHBondContact O-N 3.11Å
33R86.7Confident80.8Confident172 Ų17282.9 Ų82.965%0.64945%0.449SS*.Hα-helixtrans-64.6-44.5177.1-167.5-178-63.5152.53.2112E29 S30 F31E29-R33 PolarHBondContact O-N 3.18Å; E29-R33 VanDerWaalsContact O-N 3.1Å; E29-R33 IonicContact OE1-NH2 3.67Å; E29-R33 PolarHBondContact OE1-NH2 3.22Å; S30-R33 WeakPolarHBondContact O-CB 3.43Å; S30-R33 PolarHBondContact O-N 3.03Å; F31-R33 VanDerWaalsContact C-N 3.29Å; F31-R33 PolarHBondContact O-N 2.81Å
34E88.5Confident80.3Confident162 Ų16289.7 Ų89.776%0.75746%0.464SS*.Hα-helixtrans-73.7-37.3179.3-71.4-176.7-172.700113.2S30 F31 C36S30-E34 PolarHBondContact O-N 2.89Å; S30-E34 VanDerWaalsContact O-N 3.08Å; F31-E34 PolarHBondContact O-N 3.45Å; E34-C36 PolarHBondContact O-N 2.87Å
35A83.9Confident79.8Confident24 Ų2490.4 Ų90.420%0.19847%0.47CS..Hα-helixtrans-77.9-7.2179.600000113.1F31 L37F31-A35 HydrophobicContact CD1-CB 4.38Å; F31-A35 HydrophobicContact CE1-CB 4.14Å; F31-A35 HydrophobicContact CZ-CB 4.47Å; F31-A35 WeakPolarHBondContact O-CB 3.44Å; F31-A35 PolarHBondContact O-N 2.93Å; A35-L37 HydrophobicContact CB-CB 4.48Å; A35-L37 HydrophobicContact CB-CD1 4.18Å; A35-L37 HydrophobicContact CB-CG 4.4Å; A35-L37 PolarHBondContact O-N 2.89Å
36C81.8Confident79.6Confident119 Ų11987 Ų8780%0.80444%0.444SS*.THydrogen-bonded Turntrans52.539.4-173.1-61.70000112.7C32 E34C32-C36 PolarHBondContact O-N 2.96Å; C32-C36 VanDerWaalsContact O-N 3.13Å; E34-C36 PolarHBondContact O-N 2.87Å
37L77.3Confident79.3Confident35 Ų3583 Ų8318%0.18343%0.43CS..  trans-122.2145.1-179.4-71.7169.8000110.1N12 I16 C32 A35N12-L37 HydrophobicContact CB-CD1 3.69Å; I16-L37 HydrophobicContact CD1-CB 3.97Å; I16-L37 HydrophobicContact CD1-CD1 4.1Å; C32-L37 WeakPolarHBondContact CB-O 3.3Å; C32-L37 PolarHBondContact O-N 3.11Å; A35-L37 HydrophobicContact CB-CB 4.48Å; A35-L37 HydrophobicContact CB-CD1 4.18Å; A35-L37 HydrophobicContact CB-CG 4.4Å; A35-L37 PolarHBondContact O-N 2.89Å
38Q72.5Confident79.1Confident117 Ų11781 Ų8155%0.54742%0.42SS..  trans-93.6140.2175.9-59.3-177.9-21.700111D40 Q41Q38-D40 VanDerWaalsContact C-N 3.28Å; Q38-D40 WeakPolarHBondContact CB-OD1 3.33Å; Q38-D40 PolarHBondContact O-N 3.24Å; Q38-Q41 PolarHBondContact O-N 2.95Å
39P65.8Low79.1Confident69 Ų6982.6 Ų82.645%0.44843%0.428SS..G310 helixtrans-68.3-22.5-173.923.9-31.8000114.2Q41 V42P39-Q41 PolarHBondContact O-N 3.12Å; P39-V42 WeakPolarHBondContact O-CG2 3.18Å
40D66.4Low79.2Confident127 Ų12779.4 Ų79.468%0.67942%0.415SS*.G310 helixtrans-73.6-6.3178.255-22.1000114.1Q38Q38-D40 VanDerWaalsContact C-N 3.28Å; Q38-D40 WeakPolarHBondContact CB-OD1 3.33Å; Q38-D40 PolarHBondContact O-N 3.24Å
41Q63.5Low79.2Confident98 Ų9879.6 Ų79.646%0.45841%0.409SS..G310 helixtrans-97.713.3178.9-61.2-165.65.800115.1Q38 P39 D43Q38-Q41 PolarHBondContact O-N 2.95Å; P39-Q41 PolarHBondContact O-N 3.12Å; Q41-D43 VanDerWaalsContact C-N 3.31Å; Q41-D43 PolarHBondContact O-N 2.95Å
42V64Low79.1Confident32 Ų3283.9 Ų83.919%0.19443%0.428CS..  trans-75.288.8176.7-173.50000109.9I16 D17 P39 F46I16-V42 HydrophobicContact CB-CG2 4.08Å; I16-V42 HydrophobicContact CG2-CG2 3.4Å; I16-V42 VanDerWaalsContact CG2-CG2 3.4Å; D17-V42 HydrophobicContact CB-CG1 3.73Å; P39-V42 WeakPolarHBondContact O-CG2 3.18Å; V42-F46 HydrophobicContact CG1-CB 4.29Å
43D70.8Confident79.3Confident77 Ų7789.6 Ų89.641%0.41245%0.451SS..  trans-53.8134.5174.7-157.9-0.2000110.3Q41 K45 F46Q41-D43 VanDerWaalsContact C-N 3.31Å; Q41-D43 PolarHBondContact O-N 2.95Å; D43-K45 HydrophobicContact CB-CD 4.34Å; D43-K45 HydrophobicContact CB-CG 4.06Å; D43-K45 PolarHBondContact O-N 3.24Å; D43-K45 WeakPolarHBondContact OD2-CD 3.49Å; D43-K45 WeakPolarHBondContact OD2-CE 3.34Å; D43-K45 IonicContact OD2-NZ 2.74Å; D43-K45 PolarHBondContact OD2-NZ 3.09Å; D43-F46 HydrophobicContact CB-CD2 3.97Å; D43-F46 HydrophobicContact CB-CE2 4.03Å; D43-F46 WeakPolarHBondContact O-CD2 3.14Å; D43-F46 PolarHBondContact O-N 2.92Å
44K75.8Confident79.5Confident195 Ų19589.4 Ų89.485%0.84845%0.45SS*.G310 helixtrans-53-20.4-175.1-79.2-175.6178.2177.90113.9F46 A47K44-F46 PolarHBondContact O-N 3.23Å; K44-A47 WeakPolarHBondContact O-CB 3.28Å; K44-A47 PolarHBondContact O-N 2.92Å
45K80.5Confident79.4Confident133 Ų13386.2 Ų86.258%0.57844%0.442SS*.G310 helixtrans-62.2-20.8175.674-171.2-179.6-145.10114.3D43D43-K45 HydrophobicContact CB-CD 4.34Å; D43-K45 HydrophobicContact CB-CG 4.06Å; D43-K45 PolarHBondContact O-N 3.24Å; D43-K45 WeakPolarHBondContact OD2-CD 3.49Å; D43-K45 WeakPolarHBondContact OD2-CE 3.34Å; D43-K45 IonicContact OD2-NZ 2.74Å; D43-K45 PolarHBondContact OD2-NZ 3.09Å
46F80.5Confident79.5Confident8 Ų887 Ų874%0.03545%0.446CS..G310 helixtrans-90.5-8.2179.7-62.2-70.1000113.7E10 R13 A14 V42 D43 K44 G48 L49E10-F46 HydrophobicContact CB-CE1 4.1Å; E10-F46 HydrophobicContact CG-CE1 4.18Å; E10-F46 HydrophobicContact CG-CZ 4.27Å; R13-F46 HydrophobicContact CB-CD1 4.27Å; R13-F46 HydrophobicContact CB-CD2 3.86Å; R13-F46 HydrophobicContact CB-CE1 4.25Å; R13-F46 HydrophobicContact CB-CE2 3.8Å; R13-F46 HydrophobicContact CB-CG 4.1Å; R13-F46 HydrophobicContact CB-CZ 4.01Å; R13-F46 HydrophobicContact CG-CE2 4.24Å; A14-F46 HydrophobicContact CB-CD1 4.48Å; V42-F46 HydrophobicContact CG1-CB 4.29Å; D43-F46 HydrophobicContact CB-CD2 3.97Å; D43-F46 HydrophobicContact CB-CE2 4.03Å; D43-F46 WeakPolarHBondContact O-CD2 3.14Å; D43-F46 PolarHBondContact O-N 2.92Å; K44-F46 PolarHBondContact O-N 3.23Å; F46-G48 PolarHBondContact O-N 3.26Å; F46-G48 VanDerWaalsContact O-N 3.12Å; F46-L49 HydrophobicContact CD1-CD2 3.74Å; F46-L49 HydrophobicContact CE1-CD2 4.34Å; F46-L49 WeakPolarHBondContact O-CB 3.3Å; F46-L49 PolarHBondContact O-N 2.89Å
47A81.5Confident80Confident51 Ų5184.8 Ų84.842%0.42143%0.428SS..THydrogen-bonded Turntrans-55.7113.7-177.800000112.6D17 K44 L49D17-A47 VanDerWaalsContact OD2-CA 3.23Å; D17-A47 WeakPolarHBondContact OD2-CA 3.35Å; K44-A47 WeakPolarHBondContact O-CB 3.28Å; K44-A47 PolarHBondContact O-N 2.92Å; A47-L49 PolarHBondContact O-N 3.41Å
48G84.6Confident80.6Confident22 Ų2287 Ų8723%0.22744%0.44CS..THydrogen-bonded Turntrans65.717.4179.900000113.9D17 F46 E51 K52D17-G48 PolarHBondContact OD2-N 3.48Å; F46-G48 PolarHBondContact O-N 3.26Å; F46-G48 VanDerWaalsContact O-N 3.12Å; G48-E51 WeakPolarHBondContact CA-OE2 3.27Å; G48-K52 WeakPolarHBondContact O-CB 3.36Å; G48-K52 WeakPolarHBondContact O-CD 3.42Å; G48-K52 VanDerWaalsContact O-CG 3.23Å; G48-K52 WeakPolarHBondContact O-CG 3.46Å; G48-K52 PolarHBondContact O-N 2.82Å; G48-K52 VanDerWaalsContact O-N 3.13Å
49L86.8Confident81.3Confident54 Ų5489.2 Ų89.228%0.28344%0.443SS..Hα-helixtrans-67.2-39.3-176.4-177.965000111A14 F46 A47 K52 K53A14-L49 HydrophobicContact CB-CD2 4.35Å; F46-L49 HydrophobicContact CD1-CD2 3.74Å; F46-L49 HydrophobicContact CE1-CD2 4.34Å; F46-L49 WeakPolarHBondContact O-CB 3.3Å; F46-L49 PolarHBondContact O-N 2.89Å; A47-L49 PolarHBondContact O-N 3.41Å; L49-K52 PolarHBondContact O-N 2.85Å; L49-K53 HydrophobicContact CD1-CG 4.34Å; L49-K53 HydrophobicContact CG-CG 4.37Å; L49-K53 WeakPolarHBondContact O-CB 3.23Å; L49-K53 VanDerWaalsContact O-CG 3.22Å; L49-K53 WeakPolarHBondContact O-CG 3.3Å; L49-K53 PolarHBondContact O-N 3.41Å
50L87.7Confident82.4Confident50 Ų5090.1 Ų90.126%0.26244%0.443SS..Hα-helixtrans-65.5-44.5-176.8-168.565.6000110.9L11 A14 I15 Y18 K53 W54L11-L50 HydrophobicContact CD1-CD1 4.28Å; A14-L50 HydrophobicContact CB-CB 4.48Å; I15-L50 HydrophobicContact CG1-CD2 4.44Å; Y18-L50 HydrophobicContact CD1-CD2 4.17Å; Y18-L50 HydrophobicContact CD2-CD2 4.16Å; Y18-L50 HydrophobicContact CG-CD2 3.74Å; L50-K53 PolarHBondContact O-N 3.24Å; L50-W54 WeakPolarHBondContact O-CB 3.22Å; L50-W54 PolarHBondContact O-N 3.13Å
51E88.9Confident83.4Confident63 Ų6389.3 Ų89.329%0.29444%0.435SS..Hα-helixtrans-64.1-45.3176.5-6092.3145.500110.8Y18 G48 K53 W54 V55Y18-E51 HydrophobicContact CD2-CG 4.11Å; Y18-E51 WeakPolarHBondContact CD2-OE1 3.36Å; Y18-E51 HydrophobicContact CE2-CG 4.12Å; G48-E51 WeakPolarHBondContact CA-OE2 3.27Å; E51-K53 VanDerWaalsContact C-N 3.32Å; E51-K53 PolarHBondContact O-N 3.41Å; E51-W54 PolarHBondContact O-N 2.9Å; E51-V55 WeakPolarHBondContact O-CB 3.42Å; E51-V55 VanDerWaalsContact O-CG2 3.31Å; E51-V55 WeakPolarHBondContact O-CG2 3.49Å; E51-V55 PolarHBondContact O-N 3.29Å
52K88.3Confident84.6Confident141 Ų14191.1 Ų91.161%0.61344%0.442SS*.Hα-helixtrans-59.3-42.9175-74.8168.2-173.9160.50111.7G48 L49 S56G48-K52 WeakPolarHBondContact O-CB 3.36Å; G48-K52 WeakPolarHBondContact O-CD 3.42Å; G48-K52 VanDerWaalsContact O-CG 3.23Å; G48-K52 WeakPolarHBondContact O-CG 3.46Å; G48-K52 PolarHBondContact O-N 2.82Å; G48-K52 VanDerWaalsContact O-N 3.13Å; L49-K52 PolarHBondContact O-N 2.85Å; K52-S56 WeakPolarHBondContact O-CB 3.31Å; K52-S56 PolarHBondContact O-N 3.2Å
53K89.5Confident85.8Confident133 Ų13395.6 Ų95.658%0.57846%0.459SS*.Hα-helixtrans-65.3-44.6176.4-72-72-175.4177.80110.8L49 L50 E51 S56 V57L49-K53 HydrophobicContact CD1-CG 4.34Å; L49-K53 HydrophobicContact CG-CG 4.37Å; L49-K53 WeakPolarHBondContact O-CB 3.23Å; L49-K53 VanDerWaalsContact O-CG 3.22Å; L49-K53 WeakPolarHBondContact O-CG 3.3Å; L49-K53 PolarHBondContact O-N 3.41Å; L50-K53 PolarHBondContact O-N 3.24Å; E51-K53 VanDerWaalsContact C-N 3.32Å; E51-K53 PolarHBondContact O-N 3.41Å; K53-S56 CarbonylContact O-C 3.58Å; K53-S56 WeakPolarHBondContact O-CB 3.49Å; K53-S56 PolarHBondContact O-N 2.99Å; K53-V57 VanDerWaalsContact O-CG2 3.3Å; K53-V57 WeakPolarHBondContact O-CG2 3.49Å; K53-V57 PolarHBondContact O-N 2.91Å
54W90.4Very high86.8Confident168 Ų16895.2 Ų95.264%0.63646%0.459SS*.Hα-helixtrans-59.4-49177.1-178.4-114.4000112.3L50 E51 S56 V57 I58L50-W54 WeakPolarHBondContact O-CB 3.22Å; L50-W54 PolarHBondContact O-N 3.13Å; E51-W54 PolarHBondContact O-N 2.9Å; W54-S56 VanDerWaalsContact C-N 3.29Å; W54-S56 PolarHBondContact O-N 3.36Å; W54-V57 WeakPolarHBondContact O-CB 3.39Å; W54-V57 PolarHBondContact O-N 2.95Å; W54-V57 VanDerWaalsContact O-N 3.1Å; W54-I58 HydrophobicContact CD2-CD1 4.35Å; W54-I58 HydrophobicContact CG-CD1 4.42Å; W54-I58 HydrophobicContact CZ2-CD1 4.12Å; W54-I58 HydrophobicContact CZ2-CG1 4.43Å; W54-I58 VanDerWaalsContact NE1-CD1 3.33Å; W54-I58 PolarHBondContact O-N 2.82Å
55V87Confident87.3Confident95 Ų9590.7 Ų90.758%0.57644%0.442SS*.Hα-helixtrans-59.5-41.6174.9171.70000111E51 I58 R59E51-V55 WeakPolarHBondContact O-CB 3.42Å; E51-V55 VanDerWaalsContact O-CG2 3.31Å; E51-V55 WeakPolarHBondContact O-CG2 3.49Å; E51-V55 PolarHBondContact O-N 3.29Å; V55-I58 PolarHBondContact O-N 3.1Å; V55-R59 WeakPolarHBondContact O-CB 3.26Å; V55-R59 PolarHBondContact O-N 3.35Å
56S86.6Confident87.7Confident40 Ų4088.3 Ų88.328%0.2844%0.436SS..Hα-helixtrans-65.4-37.8175.8-171.50000112.5K52 K53 W54 R59 L60K52-S56 WeakPolarHBondContact O-CB 3.31Å; K52-S56 PolarHBondContact O-N 3.2Å; K53-S56 CarbonylContact O-C 3.58Å; K53-S56 WeakPolarHBondContact O-CB 3.49Å; K53-S56 PolarHBondContact O-N 2.99Å; W54-S56 VanDerWaalsContact C-N 3.29Å; W54-S56 PolarHBondContact O-N 3.36Å; S56-R59 PolarHBondContact O-N 3.47Å; S56-L60 WeakPolarHBondContact O-CB 3.43Å; S56-L60 VanDerWaalsContact O-CG 3.26Å; S56-L60 WeakPolarHBondContact O-CG 3.46Å; S56-L60 PolarHBondContact O-N 2.87Å
57V91.7Very high88.2Confident73 Ų7392.4 Ų92.444%0.44246%0.458SS..Hα-helixtrans-64.5-48.6176.1168.80000110.2K53 W54 R59 L60 Q61K53-V57 VanDerWaalsContact O-CG2 3.3Å; K53-V57 WeakPolarHBondContact O-CG2 3.49Å; K53-V57 PolarHBondContact O-N 2.91Å; W54-V57 WeakPolarHBondContact O-CB 3.39Å; W54-V57 PolarHBondContact O-N 2.95Å; W54-V57 VanDerWaalsContact O-N 3.1Å; V57-R59 VanDerWaalsContact C-N 3.31Å; V57-R59 PolarHBondContact O-N 3.47Å; V57-L60 PolarHBondContact O-N 3.19Å; V57-Q61 VanDerWaalsContact O-CB 3.31Å; V57-Q61 WeakPolarHBondContact O-CB 3.33Å; V57-Q61 PolarHBondContact O-N 3.32Å
58I89.1Confident88.6Confident82 Ų8295.7 Ų95.742%0.42146%0.464SS..Hα-helixtrans-57.6-46175.8-69.5172.1000110.7W54 V55 L60 Q61 K62W54-I58 HydrophobicContact CD2-CD1 4.35Å; W54-I58 HydrophobicContact CG-CD1 4.42Å; W54-I58 HydrophobicContact CZ2-CD1 4.12Å; W54-I58 HydrophobicContact CZ2-CG1 4.43Å; W54-I58 VanDerWaalsContact NE1-CD1 3.33Å; W54-I58 PolarHBondContact O-N 2.82Å; V55-I58 PolarHBondContact O-N 3.1Å; I58-L60 PolarHBondContact O-N 3.46Å; I58-Q61 PolarHBondContact O-N 3.37Å; I58-K62 WeakPolarHBondContact O-CB 3.46Å; I58-K62 PolarHBondContact O-N 2.9Å
59R87.2Confident88.6Confident163 Ų16397.5 Ų97.562%0.61548%0.477SS*.Hα-helixtrans-62-42.9178.5-173.3-174.168.3119.80.1112V55 S56 V57 K63V55-R59 WeakPolarHBondContact O-CB 3.26Å; V55-R59 PolarHBondContact O-N 3.35Å; S56-R59 PolarHBondContact O-N 3.47Å; V57-R59 VanDerWaalsContact C-N 3.31Å; V57-R59 PolarHBondContact O-N 3.47Å; R59-K63 WeakPolarHBondContact O-CB 3.33Å; R59-K63 PolarHBondContact O-N 2.77Å
60L90.2Very high88.4Confident87 Ų87101 Ų10146%0.45549%0.49SS..Hα-helixtrans-67.6-42.4177.1-77.1169.5000111.2S56 V57 I58 K62 K63 V64S56-L60 WeakPolarHBondContact O-CB 3.43Å; S56-L60 VanDerWaalsContact O-CG 3.26Å; S56-L60 WeakPolarHBondContact O-CG 3.46Å; S56-L60 PolarHBondContact O-N 2.87Å; V57-L60 PolarHBondContact O-N 3.19Å; I58-L60 PolarHBondContact O-N 3.46Å; L60-K62 VanDerWaalsContact C-N 3.35Å; L60-K62 PolarHBondContact O-N 3.16Å; L60-K63 CarbonylContact O-C 3.59Å; L60-K63 PolarHBondContact O-N 3.47Å; L60-K63 VanDerWaalsContact O-N 3.16Å; L60-V64 WeakPolarHBondContact O-CB 3.31Å; L60-V64 VanDerWaalsContact O-CG2 3.28Å; L60-V64 WeakPolarHBondContact O-CG2 3.28Å; L60-V64 PolarHBondContact O-N 3Å
61Q88Confident88.1Confident110 Ų110103.3 Ų103.351%0.51450%0.502SS..Hα-helixtrans-61.6-43.4177.3-166.3-174.7-11.600111.1V57 I58 V64 M65V57-Q61 VanDerWaalsContact O-CB 3.31Å; V57-Q61 WeakPolarHBondContact O-CB 3.33Å; V57-Q61 PolarHBondContact O-N 3.32Å; I58-Q61 PolarHBondContact O-N 3.37Å; Q61-V64 PolarHBondContact O-N 2.92Å; Q61-M65 HydrophobicContact CG-CE 3.71Å; Q61-M65 WeakPolarHBondContact O-CG 3.48Å; Q61-M65 PolarHBondContact O-N 3.34Å
62K87.9Confident87.7Confident137 Ų137102.2 Ų102.260%0.59650%0.504SS*.Hα-helixtrans-60.2-46.3172.2-174.9175.1-179.2176.10111.6I58 L60 V64 M65 D66I58-K62 WeakPolarHBondContact O-CB 3.46Å; I58-K62 PolarHBondContact O-N 2.9Å; L60-K62 VanDerWaalsContact C-N 3.35Å; L60-K62 PolarHBondContact O-N 3.16Å; K62-V64 VanDerWaalsContact C-N 3.33Å; K62-V64 PolarHBondContact O-N 2.89Å; K62-M65 PolarHBondContact O-N 2.94Å; K62-D66 VanDerWaalsContact O-CG 3.23Å; K62-D66 PolarHBondContact O-N 3.43Å
63K89.6Confident87Confident125 Ų12599.6 Ų99.654%0.54349%0.494SS..Hα-helixtrans-63.8-37.4178.2-171.2174.5-177.3-178.90112.4R59 L60 D66 L67R59-K63 WeakPolarHBondContact O-CB 3.33Å; R59-K63 PolarHBondContact O-N 2.77Å; L60-K63 CarbonylContact O-C 3.59Å; L60-K63 PolarHBondContact O-N 3.47Å; L60-K63 VanDerWaalsContact O-N 3.16Å; K63-D66 PolarHBondContact O-N 3.49Å; K63-L67 HydrophobicContact CG-CD1 4.1Å; K63-L67 HydrophobicContact CG-CG 4.49Å; K63-L67 WeakPolarHBondContact O-CB 3.22Å; K63-L67 WeakPolarHBondContact O-CG 3.35Å; K63-L67 PolarHBondContact O-N 2.77Å
64V91.1Very high86.2Confident69 Ų6996.7 Ų96.742%0.41849%0.487SS..Hα-helixtrans-65.9-48.3175.5168.70000109.7L60 Q61 K62 D66 L67 E68L60-V64 WeakPolarHBondContact O-CB 3.31Å; L60-V64 VanDerWaalsContact O-CG2 3.28Å; L60-V64 WeakPolarHBondContact O-CG2 3.28Å; L60-V64 PolarHBondContact O-N 3Å; Q61-V64 PolarHBondContact O-N 2.92Å; K62-V64 VanDerWaalsContact C-N 3.33Å; K62-V64 PolarHBondContact O-N 2.89Å; V64-D66 VanDerWaalsContact C-N 3.32Å; V64-D66 PolarHBondContact O-N 3.45Å; V64-L67 CarbonylContact O-C 3.58Å; V64-L67 PolarHBondContact O-N 3.33Å; V64-L67 VanDerWaalsContact O-N 3.09Å; V64-E68 HydrophobicContact CG1-CG 4.15Å; V64-E68 WeakPolarHBondContact CG1-OE1 3.44Å; V64-E68 WeakPolarHBondContact O-CB 3.35Å; V64-E68 WeakPolarHBondContact O-CG 3.44Å; V64-E68 PolarHBondContact O-N 3.12Å
65M87Confident85.5Confident100 Ų10093.8 Ų93.849%0.49348%0.481SS..Hα-helixtrans-57-43.5174.2-76.3-172.8-107.400112.3Q61 K62 L67 E68 A69Q61-M65 HydrophobicContact CG-CE 3.71Å; Q61-M65 WeakPolarHBondContact O-CG 3.48Å; Q61-M65 PolarHBondContact O-N 3.34Å; K62-M65 PolarHBondContact O-N 2.94Å; M65-L67 VanDerWaalsContact C-N 3.32Å; M65-L67 PolarHBondContact O-N 3.35Å; M65-E68 PolarHBondContact O-N 3.49Å; M65-A69 VanDerWaalsContact O-CB 3.3Å; M65-A69 WeakPolarHBondContact O-CB 3.3Å; M65-A69 PolarHBondContact O-N 2.93Å
66D88.4Confident84.4Confident84 Ų8495 Ų9545%0.44948%0.478SS..Hα-helixtrans-64.1-36.9177-68.9-22.3000112K62 K63 V64 K70K62-D66 VanDerWaalsContact O-CG 3.23Å; K62-D66 PolarHBondContact O-N 3.43Å; K63-D66 PolarHBondContact O-N 3.49Å; V64-D66 VanDerWaalsContact C-N 3.32Å; V64-D66 PolarHBondContact O-N 3.45Å; D66-K70 WeakPolarHBondContact O-CB 3.31Å; D66-K70 VanDerWaalsContact O-CG 3.26Å; D66-K70 WeakPolarHBondContact O-CG 3.26Å; D66-K70 PolarHBondContact O-N 2.78Å; D66-K70 VanDerWaalsContact O-N 3.12Å
67L90.3Very high83.3Confident94 Ų9496.9 Ų96.949%0.49248%0.483SS..Hα-helixtrans-75.5-40.2178.5-76.2170.8000112.2K63 V64 M65 A69 K70 L71K63-L67 HydrophobicContact CG-CD1 4.1Å; K63-L67 HydrophobicContact CG-CG 4.49Å; K63-L67 WeakPolarHBondContact O-CB 3.22Å; K63-L67 WeakPolarHBondContact O-CG 3.35Å; K63-L67 PolarHBondContact O-N 2.77Å; V64-L67 CarbonylContact O-C 3.58Å; V64-L67 PolarHBondContact O-N 3.33Å; V64-L67 VanDerWaalsContact O-N 3.09Å; M65-L67 VanDerWaalsContact C-N 3.32Å; M65-L67 PolarHBondContact O-N 3.35Å; L67-A69 VanDerWaalsContact C-N 3.35Å; L67-K70 PolarHBondContact O-N 2.8Å; L67-L71 VanDerWaalsContact O-CB 3.31Å; L67-L71 WeakPolarHBondContact O-CB 3.49Å; L67-L71 PolarHBondContact O-N 3.09Å
68E90.2Very high82Confident119 Ų119103.2 Ų103.256%0.55650%0.5SS*.Hα-helixtrans-63.5-41.9174.3-73.8174.4167.500110.7V64 M65 L71 A72V64-E68 HydrophobicContact CG1-CG 4.15Å; V64-E68 WeakPolarHBondContact CG1-OE1 3.44Å; V64-E68 WeakPolarHBondContact O-CB 3.35Å; V64-E68 WeakPolarHBondContact O-CG 3.44Å; V64-E68 PolarHBondContact O-N 3.12Å; M65-E68 PolarHBondContact O-N 3.49Å; E68-L71 PolarHBondContact O-N 3.01Å; E68-A72 WeakPolarHBondContact O-CB 3.43Å; E68-A72 PolarHBondContact O-N 2.89Å
69A84.9Confident80.8Confident60 Ų60105.7 Ų105.750%0.49651%0.513SS..Hα-helixtrans-61.4-45.217400000111.9M65 L67 E73M65-A69 VanDerWaalsContact O-CB 3.3Å; M65-A69 WeakPolarHBondContact O-CB 3.3Å; M65-A69 PolarHBondContact O-N 2.93Å; L67-A69 VanDerWaalsContact C-N 3.35Å; A69-E73 WeakPolarHBondContact O-CB 3.33Å; A69-E73 PolarHBondContact O-N 3.35Å
70K82.8Confident79.2Confident129 Ų129103.1 Ų103.156%0.56151%0.511SS*.Hα-helixtrans-64.2-42.7175.6-76.5173.8-176.8-179.10112.2D66 L67 E73 T74D66-K70 WeakPolarHBondContact O-CB 3.31Å; D66-K70 VanDerWaalsContact O-CG 3.26Å; D66-K70 WeakPolarHBondContact O-CG 3.26Å; D66-K70 PolarHBondContact O-N 2.78Å; D66-K70 VanDerWaalsContact O-N 3.12Å; L67-K70 PolarHBondContact O-N 2.8Å; K70-E73 PolarHBondContact O-N 3.27Å; K70-T74 WeakPolarHBondContact O-CG2 3.43Å; K70-T74 PolarHBondContact O-N 2.75Å; K70-T74 PolarHBondContact O-OG1 3.14Å
71L81.4Confident77.6Confident97 Ų97102.2 Ų102.251%0.50852%0.522SS..Hα-helixtrans-61.8-48.7178.4-177.266.2000110.4L67 E68 E73 T74 E75L67-L71 VanDerWaalsContact O-CB 3.31Å; L67-L71 WeakPolarHBondContact O-CB 3.49Å; L67-L71 PolarHBondContact O-N 3.09Å; E68-L71 PolarHBondContact O-N 3.01Å; L71-E73 VanDerWaalsContact C-N 3.27Å; L71-E73 PolarHBondContact O-N 2.83Å; L71-T74 WeakPolarHBondContact CA-OG1 2.93Å; L71-T74 PolarHBondContact O-N 3.21Å; L71-T74 VanDerWaalsContact O-N 3.14Å; L71-T74 PolarHBondContact O-OG1 2.91Å; L71-E75 HydrophobicContact CD1-CG 4.49Å; L71-E75 HydrophobicContact CG-CG 4.48Å; L71-E75 WeakPolarHBondContact O-CG 3.4Å; L71-E75 PolarHBondContact O-N 3.32Å
72A80.6Confident75.7Confident41 Ų4198.2 Ų98.234%0.33951%0.508SS..Hα-helixtrans-61-34.8176.800000112.6E68 K76E68-A72 WeakPolarHBondContact O-CB 3.43Å; E68-A72 PolarHBondContact O-N 2.89Å; A72-K76 WeakPolarHBondContact O-CB 3.46Å; A72-K76 VanDerWaalsContact O-CG 3.26Å; A72-K76 WeakPolarHBondContact O-CG 3.38Å; A72-K76 PolarHBondContact O-N 3.46Å; A72-K76 VanDerWaalsContact O-N 3.14Å
73E73.1Confident73.7Confident85 Ų8593.6 Ų93.640%0.39749%0.492SS..Hα-helixtrans-67.2-46.5173.7-164.8160.8-137.600110.9A69 K70 L71 E75 K76 E77 K87A69-E73 WeakPolarHBondContact O-CB 3.33Å; A69-E73 PolarHBondContact O-N 3.35Å; K70-E73 PolarHBondContact O-N 3.27Å; L71-E73 VanDerWaalsContact C-N 3.27Å; L71-E73 PolarHBondContact O-N 2.83Å; E73-E75 PolarHBondContact O-N 2.66Å; E73-K76 PolarHBondContact O-N 3.28Å; E73-E77 WeakPolarHBondContact O-CG 3.26Å; E73-E77 PolarHBondContact O-N 3.34Å; E73-K87 IonicContact OE1-NZ 2.88Å; E73-K87 PolarHBondContact OE1-NZ 2.91Å
74T73.8Confident71.9Confident73 Ų7389.8 Ų89.845%0.44848%0.479SS..Hα-helixtrans-66-36.2177.555.40000113.8K70 L71 E77 Y78K70-T74 WeakPolarHBondContact O-CG2 3.43Å; K70-T74 PolarHBondContact O-N 2.75Å; K70-T74 PolarHBondContact O-OG1 3.14Å; L71-T74 WeakPolarHBondContact CA-OG1 2.93Å; L71-T74 PolarHBondContact O-N 3.21Å; L71-T74 VanDerWaalsContact O-N 3.14Å; L71-T74 PolarHBondContact O-OG1 2.91Å; T74-E77 PolarHBondContact O-N 3.35Å; T74-Y78 WeakPolarHBondContact O-CB 3.42Å; T74-Y78 PolarHBondContact O-N 2.95Å
75E75.1Confident70Confident106 Ų10697.5 Ų97.550%0.49550%0.501SS..Hα-helixtrans-66.4-41.5175.2-75.8178.816600111.1L71 E73 Y78 I79L71-E75 HydrophobicContact CD1-CG 4.49Å; L71-E75 HydrophobicContact CG-CG 4.48Å; L71-E75 WeakPolarHBondContact O-CG 3.4Å; L71-E75 PolarHBondContact O-N 3.32Å; E73-E75 PolarHBondContact O-N 2.66Å; E75-Y78 PolarHBondContact O-N 2.74Å; E75-I79 WeakPolarHBondContact O-CB 3.32Å; E75-I79 VanDerWaalsContact O-CG1 3.27Å; E75-I79 WeakPolarHBondContact O-CG1 3.39Å; E75-I79 PolarHBondContact O-N 3.48Å
76K63.8Low68.2Low121 Ų121100.3 Ų100.353%0.52652%0.518SS..Hα-helixtrans-62.4-42.5173.4-76175.8-179.3-178.60111.8A72 E73 L80 T84A72-K76 WeakPolarHBondContact O-CB 3.46Å; A72-K76 VanDerWaalsContact O-CG 3.26Å; A72-K76 WeakPolarHBondContact O-CG 3.38Å; A72-K76 PolarHBondContact O-N 3.46Å; A72-K76 VanDerWaalsContact O-N 3.14Å; E73-K76 PolarHBondContact O-N 3.28Å; K76-L80 WeakPolarHBondContact O-CB 3.48Å; K76-L80 PolarHBondContact O-N 2.91Å; K76-T84 HydrophobicContact CB-CG2 4.25Å; K76-T84 HydrophobicContact CD-CG2 4.05Å
77E63Low66.4Low80 Ų80103.4 Ų103.437%0.37453%0.528SS..Hα-helixtrans-63.1-40.4175.8-73.8-178.4170.500112.6E73 T74 G81 A82 P83E73-E77 WeakPolarHBondContact O-CG 3.26Å; E73-E77 PolarHBondContact O-N 3.34Å; T74-E77 PolarHBondContact O-N 3.35Å; E77-G81 WeakPolarHBondContact O-CA 3.27Å; E77-G81 PolarHBondContact O-N 3.25Å; E77-A82 PolarHBondContact O-N 2.96Å; E77-P83 HydrophobicContact CG-CB 4.43Å; E77-P83 HydrophobicContact CG-CG 4.15Å
78Y64.7Low64.6Low206 Ų206101.5 Ų101.581%0.80851%0.514SS*.Hα-helixtrans-66.5-46.4177.3179-100000112.1T74 E75T74-Y78 WeakPolarHBondContact O-CB 3.42Å; T74-Y78 PolarHBondContact O-N 2.95Å; E75-Y78 PolarHBondContact O-N 2.74Å
79I63.6Low63.6Low134 Ų13498.2 Ų98.269%0.68750%0.504SS*.Hα-helixtrans-66.3-39.5-179.1-68.7167.3000111.5E75E75-I79 WeakPolarHBondContact O-CB 3.32Å; E75-I79 VanDerWaalsContact O-CG1 3.27Å; E75-I79 WeakPolarHBondContact O-CG1 3.39Å; E75-I79 PolarHBondContact O-N 3.48Å
80L54.4Low63Low108 Ų10899.2 Ų99.257%0.56551%0.505SS*.Hα-helixtrans-94-6.3-174.9-65.8169.6000113.5K76 A82 T84K76-L80 WeakPolarHBondContact O-CB 3.48Å; K76-L80 PolarHBondContact O-N 2.91Å; L80-A82 WeakPolarHBondContact CB-O 3.38Å; L80-A82 PolarHBondContact O-N 3.37Å; L80-T84 HydrophobicContact CD1-CG2 4.13Å
81G55.8Low62.7Low68 Ų6897.9 Ų97.970%0.70150%0.504SS*.SBendtrans59.79-173.100000114.1E77E77-G81 WeakPolarHBondContact O-CA 3.27Å; E77-G81 PolarHBondContact O-N 3.25Å
82A49.3Very low62.8Low27 Ų2797.5 Ų97.522%0.22350%0.499CS..SBendtrans-165.5135.3-172.100000109.9E77 L80 T84E77-A82 PolarHBondContact O-N 2.96Å; L80-A82 WeakPolarHBondContact CB-O 3.38Å; L80-A82 PolarHBondContact O-N 3.37Å; A82-T84 PolarHBondContact O-N 3.31Å
83P45.4Very low63.2Low40 Ų4098.7 Ų98.726%0.2650%0.495SS..  trans-47.1137.1168.4-2618000112.4E77 R85 R88E77-P83 HydrophobicContact CG-CB 4.43Å; E77-P83 HydrophobicContact CG-CG 4.15Å; P83-R85 PolarHBondContact O-N 3.14Å; P83-R88 HydrophobicContact CB-CG 4.47Å; P83-R88 VanDerWaalsContact CG-CZ 3.43Å; P83-R88 VanDerWaalsContact CG-NH2 3.27Å
84T51Low64.1Low44 Ų4494.9 Ų94.927%0.2748%0.478SS..  trans-45.8126.3-179.451.40000111.1K76 L80 A82 D86 K87K76-T84 HydrophobicContact CB-CG2 4.25Å; K76-T84 HydrophobicContact CD-CG2 4.05Å; L80-T84 HydrophobicContact CD1-CG2 4.13Å; A82-T84 PolarHBondContact O-N 3.31Å; T84-D86 PolarHBondContact O-N 3.48Å; T84-K87 PolarHBondContact O-N 2.95Å
85R51.1Low65Low231 Ų23191.4 Ų91.487%0.87246%0.456SS*.G310 helixtrans-44-31.6-175.2-77.4175.189.1-1786.5113.8P83 K87 R88P83-R85 PolarHBondContact O-N 3.14Å; R85-K87 VanDerWaalsContact C-N 3.35Å; R85-K87 PolarHBondContact O-N 3.34Å; R85-R88 PolarHBondContact O-N 3.16Å
86D50.3Low65.8Low159 Ų15990.2 Ų90.285%0.8545%0.447SS*.G310 helixtrans-69.3-22.5-170.6-57.8-30.2000115.4T84T84-D86 PolarHBondContact O-N 3.48Å
87K50.4Low67.1Low150 Ų15087.5 Ų87.565%0.65244%0.442SS*.G310 helixtrans-98.4-10.2175.8-72.3-171.5-173.5172.30113.8E73 T84 R85 S89E73-K87 IonicContact OE1-NZ 2.88Å; E73-K87 PolarHBondContact OE1-NZ 2.91Å; T84-K87 PolarHBondContact O-N 2.95Å; R85-K87 VanDerWaalsContact C-N 3.35Å; R85-K87 PolarHBondContact O-N 3.34Å; K87-S89 PolarHBondContact O-N 2.79Å
88R52.4Low68.5Low54 Ų5488.4 Ų88.420%0.20446%0.455CS..  trans-9090-167.6-107-179.3179.7-166.4-6.9109.7P83 R85 W93 R409P83-R88 HydrophobicContact CB-CG 4.47Å; P83-R88 VanDerWaalsContact CG-CZ 3.43Å; P83-R88 VanDerWaalsContact CG-NH2 3.27Å; R85-R88 PolarHBondContact O-N 3.16Å; R88-W93 PolarHBondContact O-NE1 3.5Å; R88-R409 WeakPolarHBondContact CD-OXT 3.49Å; R88-R409 PolarHBondContact NE-OXT 2.82Å; R88-R409 PolarHBondContact NH1-OXT 3.45Å; R88-R409 PolarHBondContact NH2-OXT 3.32Å
89S69.6Low69.9Low50 Ų5081.5 Ų81.535%0.3543%0.43SS..  trans-66.6135.8168.296.20000108.8K87 L91 E92 W93K87-S89 PolarHBondContact O-N 2.79Å; S89-L91 PolarHBondContact O-N 3.41Å; S89-L91 WeakPolarHBondContact OG-CB 3.4Å; S89-L91 PolarHBondContact OG-N 2.95Å; S89-E92 PolarHBondContact O-N 3.18Å; S89-W93 PolarHBondContact O-NE1 3.47Å
90P71.8Confident71.3Confident80 Ų8078.4 Ų78.452%0.51941%0.412SS..G310 helixtrans-54-21.1175.1-28.135.4000113.8E92 W93P90-E92 PolarHBondContact O-N 2.93Å; P90-W93 HydrophobicContact CB-CD2 4.39Å; P90-W93 HydrophobicContact CB-CE3 4.36Å; P90-W93 HydrophobicContact CB-CZ3 4.48Å; P90-W93 HydrophobicContact CG-CH2 4.21Å; P90-W93 HydrophobicContact CG-CZ2 4.23Å; P90-W93 HydrophobicContact CG-CZ3 4.5Å; P90-W93 PolarHBondContact O-N 3.48Å
91L76.7Confident73.3Confident102 Ų10276.7 Ų76.753%0.53440%0.398SS..G310 helixtrans-70.1-9.5176.4-61.5167.4000113.8S89 H346S89-L91 PolarHBondContact O-N 3.41Å; S89-L91 WeakPolarHBondContact OG-CB 3.4Å; S89-L91 PolarHBondContact OG-N 2.95Å; L91-H346 PolarHBondContact O-CE1 3.48Å; L91-H346 PolarHBondContact O-ND1 2.98Å
92E82.8Confident75.2Confident88 Ų8876.2 Ų76.241%0.41139%0.388SS..G310 helixtrans-109.7-3.3175.6-59.5-152.4130.600114S89 P90 K350S89-E92 PolarHBondContact O-N 3.18Å; P90-E92 PolarHBondContact O-N 2.93Å; E92-K350 IonicContact OE1-NZ 3.74Å; E92-K350 PolarHBondContact OE1-NZ 2.86Å
93W88.8Confident77.5Confident66 Ų6675.4 Ų75.425%0.2538%0.38CS..  trans-72.4138.4-176-67-0.4000110.9R88 S89 P90 H346 P392 C408R88-W93 PolarHBondContact O-NE1 3.5Å; S89-W93 PolarHBondContact O-NE1 3.47Å; P90-W93 HydrophobicContact CB-CD2 4.39Å; P90-W93 HydrophobicContact CB-CE3 4.36Å; P90-W93 HydrophobicContact CB-CZ3 4.48Å; P90-W93 HydrophobicContact CG-CH2 4.21Å; P90-W93 HydrophobicContact CG-CZ2 4.23Å; P90-W93 HydrophobicContact CG-CZ3 4.5Å; P90-W93 PolarHBondContact O-N 3.48Å; W93-H346 PolarHBondContact O-NE2 3.48Å; W93-P392 HydrophobicContact CE3-CB 3.38Å; W93-P392 HydrophobicContact CE3-CG 4.03Å; W93-P392 HydrophobicContact CZ3-CB 3.77Å; W93-P392 HydrophobicContact CZ3-CG 3.88Å; W93-C408 HydrophobicContact CB-CB 3.78Å; W93-C408 VanDerWaalsContact CE3-O 3.23Å
94I91.5Very high79.9Confident6 Ų677.8 Ų77.83%0.03140%0.397CS..  trans-126.5152.9-179.763.8172.3000109R96 Y351 V363 L372 K373 C408 R409I94-R96 PolarHBondContact O-N 2.93Å; I94-Y351 HydrophobicContact CG2-CD2 3.6Å; I94-Y351 HydrophobicContact CG2-CE2 3.52Å; I94-Y351 HydrophobicContact CG2-CG 4.2Å; I94-V363 HydrophobicContact CB-CG1 4.34Å; I94-V363 HydrophobicContact CB-CG2 4.46Å; I94-V363 HydrophobicContact CG2-CG1 3.93Å; I94-L372 HydrophobicContact CD1-CD2 3.93Å; I94-K373 HydrophobicContact CD1-CB 4.5Å; I94-C408 VanDerWaalsContact O-CA 3.25Å; I94-C408 WeakPolarHBondContact O-CA 3.12Å; I94-R409 PolarHBondContact O-N 2.92Å; I94-R409 VanDerWaalsContact O-N 3.13Å
95P93.6Very high81.9Confident0 Ų077.5 Ų77.50%040%0.403CS..BIsolated β-bridgetrans-58.6139.5179.922.9-34.1000110.9I353 M361 V363 I375 V394 W406P95-I353 HydrophobicContact CG-CD1 4.38Å; P95-M361 HydrophobicContact CB-CE 3.6Å; P95-M361 HydrophobicContact CG-CE 3.47Å; P95-M361 VanDerWaalsContact CG-CE 3.47Å; P95-M361 HydrophobicContact CG-SD 4.3Å; P95-V363 HydrophobicContact CG-CG2 4.03Å; P95-I375 HydrophobicContact CB-CD1 4.2Å; P95-I375 HydrophobicContact CG-CD1 4.16Å; P95-I375 WeakPolarHBondContact O-CD1 3.36Å; P95-V394 HydrophobicContact CB-CB 4.35Å; P95-V394 HydrophobicContact CB-CG2 4.32Å; P95-V394 HydrophobicContact CG-CG2 4.25Å; P95-W406 HydrophobicContact CB-CB 3.9Å
96R91.3Very high84.1Confident81 Ų8167 Ų6731%0.30636%0.364SS..  trans-130.6142177.4-64.6-64.6-175.7162-3.4110.6I94 E407 R409I94-R96 PolarHBondContact O-N 2.93Å; R96-E407 PolarHBondContact N-O 3.09Å; R96-R409 HydrophobicContact CB-CG 4.02Å; R96-R409 HydrophobicContact CG-CG 3.66Å
97P90.9Very high86.3Confident64 Ų6469.7 Ų69.742%0.41636%0.362SS..SBendtrans-71.7162.1169.830.2-33.8000111.7R409P97-R409 PolarHBondContact O-NH2 3.33Å; P97-R409 VanDerWaalsContact O-NH2 3.13Å
98P93Very high88.6Confident99 Ų9963.5 Ų63.564%0.64334%0.338SS*.SBendcis-69.1165.6-10.932.4-35.8000111.8
99E93.8Very high90.8Very high61 Ų6162 Ų6229%0.28534%0.336SS..PPolyproline II helixtrans-56.3144.4167.262.1-88.7-141.500110.7A102 K404 W406E99-A102 HydrophobicContact CG-CB 4.39Å; E99-K404 HydrophobicContact CB-CB 4.17Å; E99-K404 HydrophobicContact CB-CD 4.22Å; E99-K404 HydrophobicContact CB-CG 4.36Å; E99-K404 HydrophobicContact CG-CD 4.03Å; E99-K404 HydrophobicContact CG-CG 4.22Å; E99-K404 WeakPolarHBondContact OE1-CE 3.27Å; E99-K404 IonicContact OE1-NZ 3.6Å; E99-K404 PolarHBondContact OE1-NZ 3.17Å; E99-K404 IonicContact OE2-NZ 3.09Å; E99-W406 HydrophobicContact CB-CD2 4.24Å; E99-W406 HydrophobicContact CB-CE3 3.93Å; E99-W406 HydrophobicContact CB-CH2 4.07Å; E99-W406 HydrophobicContact CB-CZ2 4.37Å; E99-W406 HydrophobicContact CB-CZ3 3.84Å
100K94Very high92.1Very high69 Ų6959.7 Ų59.730%0.332%0.32SS..SBendtrans-71-44.7174.7-172.3-176177.7-164.80110.3E137 Y393 V405K100-E137 PolarHBondContact NZ-O 3.41Å; K100-Y393 HydrophobicContact CD-CE1 3.91Å; K100-Y393 PolarHBondContact NZ-OH 2.9Å; K100-Y393 VanDerWaalsContact NZ-OH 3.08Å; K100-V405 PolarHBondContact N-O 2.95Å
101Y95.6Very high93.4Very high71 Ų7156.9 Ų56.928%0.27830%0.301SS..EExtended strand (participates in β ladder)trans-138.3144.6178-60.2-65.9000111.1F136 E137 T138 K404 V405Y101-F136 WeakPolarHBondContact CD2-O 3.4Å; Y101-F136 WeakPolarHBondContact CE2-O 3.28Å; Y101-E137 VanDerWaalsContact CE2-O 3.31Å; Y101-E137 WeakPolarHBondContact CE2-O 3.23Å; Y101-E137 PolarHBondContact OH-O 3.44Å; Y101-T138 WeakPolarHBondContact CE1-O 3.35Å; Y101-K404 WeakPolarHBondContact O-CA 3.4Å; Y101-V405 HydrophobicContact CD2-CB 4.39Å; Y101-V405 PolarHBondContact N-O 2.87Å; Y101-V405 PolarHBondContact O-N 2.7Å
102A96.5Very high94.4Very high59 Ų5952.8 Ų52.849%0.48828%0.278SS..EExtended strand (participates in β ladder)trans-11899168.300000108.6E99 K404E99-A102 HydrophobicContact CG-CB 4.39Å; A102-K404 HydrophobicContact CB-CG 4.27Å
103L97Very high95.2Very high10 Ų1048.6 Ų48.65%0.05226%0.259CS..EExtended strand (participates in β ladder)trans-84.5129.1-175.8-47.5176.2000109.4I122 W134 G139 T402 V403 V405L103-I122 HydrophobicContact CD1-CD1 3.64Å; L103-W134 HydrophobicContact CB-CD2 4.39Å; L103-W134 HydrophobicContact CB-CE3 4.2Å; L103-W134 HydrophobicContact CB-CZ3 4.37Å; L103-W134 HydrophobicContact CD1-CB 3.87Å; L103-W134 HydrophobicContact CD1-CD2 4.16Å; L103-W134 HydrophobicContact CD1-CE3 4.42Å; L103-W134 HydrophobicContact CD1-CG 3.92Å; L103-G139 WeakPolarHBondContact CD2-O 3.4Å; L103-T402 WeakPolarHBondContact O-CA 3.33Å; L103-V403 HydrophobicContact CB-CB 4.29Å; L103-V403 WeakPolarHBondContact CB-O 3.33Å; L103-V403 HydrophobicContact CD1-CG1 4.39Å; L103-V403 PolarHBondContact N-O 3.35Å; L103-V403 PolarHBondContact O-N 2.67Å; L103-V405 HydrophobicContact CD1-CG2 4.13Å
104S95.1Very high95.6Very high89 Ų8945.8 Ų45.862%0.62225%0.249SC*.EExtended strand (participates in β ladder)trans-131.7145.7-179.564.30000110.1W134S104-W134 WeakPolarHBondContact O-CH2 3.39Å
105G93.7Very high95.9Very high39 Ų3946.3 Ų46.340%0.40225%0.251SS..  trans155.9-13.1177.800000115.1K132G105-K132 WeakPolarHBondContact O-CE 3.4Å
106H97.1Very high96Very high9 Ų946.3 Ų46.34%0.04225%0.251CS..  trans-68.1152.7162.8-81.1-66.6000110.8V110 T124 S126 D128 Q401H106-V110 HydrophobicContact CB-CG2 3.98Å; H106-T124 PolarHBondContact NE2-OG1 3.07Å; H106-T124 VanDerWaalsContact NE2-OG1 3.13Å; H106-S126 VanDerWaalsContact CE1-CB 3.48Å; H106-S126 WeakPolarHBondContact CE1-CB 3.29Å; H106-S126 WeakPolarHBondContact ND1-CB 3.42Å; H106-D128 WeakPolarHBondContact CA-OD2 3.38Å; H106-D128 IonicContact CE1-OD1 3.5Å; H106-D128 IonicContact CG-OD2 2.82Å; H106-D128 IonicContact ND1-OD1 3.05Å; H106-D128 PolarHBondContact ND1-OD1 2.7Å; H106-D128 IonicContact ND1-OD2 2.87Å; H106-D128 PolarHBondContact ND1-OD2 2.78Å; H106-Q401 PolarHBondContact O-OE1 3.37Å
107R96.9Very high96.1Very high217 Ų21745 Ų4582%0.81925%0.253SS*.SBendtrans-105.3-2.7-178-61.5-178.5-179.8-165.3-2.1113.4D128R107-D128 HydrophobicContact CB-CB 4.22Å; R107-D128 PolarHBondContact N-OD2 3.33Å
108A98.1Very high96.1Very high19 Ų1946.6 Ų46.616%0.15726%0.261CS..SBendtrans-148.3172.6-17800000108.7V110 S126 E127 D128A108-V110 PolarHBondContact O-N 2.89Å; A108-S126 PolarHBondContact O-OG 3.5Å; A108-E127 HydrophobicContact CB-CB 3.88Å; A108-D128 HydrophobicContact CB-CB 3.83Å
109P98.4Very high95.9Very high24 Ų2447.7 Ų47.716%0.15626%0.256CS..  trans-47.3135.3177.9-33.540.5000113S126 E127 V399P109-S126 VanDerWaalsContact O-CA 3.27Å; P109-S126 WeakPolarHBondContact O-CA 3.27Å; P109-S126 WeakPolarHBondContact O-CB 3.29Å; P109-S126 PolarHBondContact O-OG 3.47Å; P109-E127 HydrophobicContact CB-CG 4.18Å; P109-E127 WeakPolarHBondContact CD-OE2 3.39Å; P109-E127 WeakPolarHBondContact CG-OE2 3.48Å; P109-E127 PolarHBondContact O-N 2.97Å; P109-V399 HydrophobicContact CB-CB 4.45Å; P109-V399 HydrophobicContact CB-CG1 4.35Å; P109-V399 HydrophobicContact CB-CG2 4.45Å; P109-V399 HydrophobicContact CG-CG1 3.98Å
110V98.5Very high95.9Very high0 Ų046.6 Ų46.60%026%0.255CS..EExtended strand (participates in β ladder)trans-84.2123.7173.4-174.60000107.1H106 A108 C125 T383 S397 S398 V403H106-V110 HydrophobicContact CB-CG2 3.98Å; A108-V110 PolarHBondContact O-N 2.89Å; V110-C125 CarbonylContact C-O 3.59Å; V110-C125 WeakPolarHBondContact CA-O 3.25Å; V110-C125 WeakPolarHBondContact CG1-O 3.45Å; V110-T383 VanDerWaalsContact O-CB 3.27Å; V110-T383 WeakPolarHBondContact O-CB 3.26Å; V110-T383 WeakPolarHBondContact O-CG2 3.33Å; V110-T383 PolarHBondContact O-OG1 3.06Å; V110-S397 VanDerWaalsContact CG1-CB 3.49Å; V110-S398 PolarHBondContact N-O 2.9Å; V110-S398 VanDerWaalsContact N-O 3.16Å; V110-V403 HydrophobicContact CB-CG2 4.4Å; V110-V403 HydrophobicContact CG1-CG2 3.89Å; V110-V403 HydrophobicContact CG2-CG2 4.14Å
111T98Very high96Very high21 Ų2144.2 Ų44.213%0.12925%0.245CC..EExtended strand (participates in β ladder)trans-92.1-34.7-173500000112.1C125 E127 V152T111-C125 PolarHBondContact N-O 3.21Å; T111-C125 PolarHBondContact OG1-O 3.1Å; T111-C125 VanDerWaalsContact OG1-O 3.07Å; T111-C125 PolarHBondContact OG1-SG 3.04Å; T111-E127 HydrophobicContact CG2-CG 3.74Å; T111-V152 WeakPolarHBondContact CB-O 3.49Å; T111-V152 WeakPolarHBondContact CG2-O 3.2Å; T111-V152 PolarHBondContact OG1-O 3.3Å
112R98.2Very high96.1Very high16 Ų1640.8 Ų40.86%0.0623%0.232CC..EExtended strand (participates in β ladder)trans-144.5146.6-178.1-158.993.6170.999.314.7111.2I114 T124 C125 D154 I155 S384R112-I114 HydrophobicContact CG-CG2 4.29Å; R112-T124 WeakPolarHBondContact O-CA 3.33Å; R112-C125 WeakPolarHBondContact CB-SG 3.33Å; R112-C125 PolarHBondContact N-O 2.8Å; R112-C125 PolarHBondContact O-N 2.96Å; R112-D154 WeakPolarHBondContact CD-OD1 3.42Å; R112-D154 IonicContact CZ-OD1 3.77Å; R112-D154 IonicContact NE-OD1 3.43Å; R112-D154 PolarHBondContact NE-OD1 2.71Å; R112-D154 IonicContact NE-OD2 2.68Å; R112-I155 HydrophobicContact CB-CG1 4.03Å; R112-I155 HydrophobicContact CG-CG1 3.87Å; R112-S384 PolarHBondContact NH1-OG 2.88Å; R112-S384 VanDerWaalsContact NH1-OG 3.08Å
113V98.4Very high96.2Very high0 Ų038 Ų380%021%0.209CC..EExtended strand (participates in β ladder)trans-135.3138.8165.360.40000109.1I122 A123 T124 S384 V395 V403V113-I122 HydrophobicContact CG2-CD1 4.4Å; V113-A123 WeakPolarHBondContact CA-O 3.35Å; V113-T124 HydrophobicContact CB-CG2 4.13Å; V113-T124 HydrophobicContact CG2-CG2 3.72Å; V113-S384 PolarHBondContact N-OG 2.75Å; V113-S384 PolarHBondContact O-OG 2.76Å; V113-V395 HydrophobicContact CB-CG2 4.41Å; V113-V395 HydrophobicContact CG1-CB 4.39Å; V113-V395 HydrophobicContact CG1-CG2 4.01Å; V113-V395 HydrophobicContact CG2-CB 3.93Å; V113-V395 HydrophobicContact CG2-CG2 3.53Å; V113-V403 HydrophobicContact CG2-CG1 3.95Å
114I98Very high96.3Very high8 Ų837.5 Ų37.54%0.04121%0.206CC..EExtended strand (participates in β ladder)trans-142.9151.117662.2175.7000111R112 I122 A123 I155 F157 L164 D386R112-I114 HydrophobicContact CG-CG2 4.29Å; I114-I122 WeakPolarHBondContact O-CA 3.41Å; I114-A123 HydrophobicContact CG1-CB 4.18Å; I114-A123 PolarHBondContact N-O 3.41Å; I114-A123 PolarHBondContact O-N 2.96Å; I114-I155 HydrophobicContact CD1-CB 4.24Å; I114-I155 HydrophobicContact CD1-CD1 4.04Å; I114-I155 HydrophobicContact CD1-CG1 3.87Å; I114-I155 HydrophobicContact CG1-CD1 3.8Å; I114-I155 HydrophobicContact CG1-CG1 4.03Å; I114-F157 HydrophobicContact CD1-CD2 3.41Å; I114-F157 VanDerWaalsContact CD1-CD2 3.41Å; I114-F157 HydrophobicContact CD1-CE2 3.73Å; I114-F157 HydrophobicContact CD1-CG 4.28Å; I114-F157 HydrophobicContact CG1-CD2 3.96Å; I114-F157 HydrophobicContact CG1-CE2 3.91Å; I114-L164 HydrophobicContact CD1-CD1 4.36Å; I114-D386 WeakPolarHBondContact CA-OD2 3.4Å
115F97.7Very high96.4Very high16 Ų1633.3 Ų33.37%0.0718%0.177CC..EExtended strand (participates in β ladder)trans-78.6145.7167.7-73.3-78.5000111.7I122 F136 F157 D386 H388 V395F115-I122 HydrophobicContact CD1-CG2 3.29Å; F115-I122 HydrophobicContact CE1-CG2 3.5Å; F115-I122 HydrophobicContact CG-CG2 4.02Å; F115-I122 HydrophobicContact CZ-CG2 4.38Å; F115-F136 AromaticContact CD1-CD1 3.81Å; F115-F136 HydrophobicContact CD1-CD1 3.81Å; F115-F136 AromaticContact CD1-CE1 3.73Å; F115-F136 HydrophobicContact CD1-CE1 3.73Å; F115-F136 HydrophobicContact CD1-CG 4.44Å; F115-F136 HydrophobicContact CD1-CZ 4.38Å; F115-F136 HydrophobicContact CE1-CB 4.48Å; F115-F136 AromaticContact CE1-CD1 3.71Å; F115-F136 HydrophobicContact CE1-CD1 3.71Å; F115-F136 HydrophobicContact CE1-CD2 4.2Å; F115-F136 AromaticContact CE1-CE1 3.86Å; F115-F136 HydrophobicContact CE1-CE1 3.86Å; F115-F136 HydrophobicContact CE1-CE2 4.4Å; F115-F136 AromaticContact CE1-CG 3.88Å; F115-F136 HydrophobicContact CE1-CG 3.88Å; F115-F136 HydrophobicContact CE1-CZ 4.24Å; F115-F157 WeakPolarHBondContact O-CD2 3.48Å; F115-D386 HydrophobicContact CD2-CB 4.08Å; F115-D386 WeakPolarHBondContact CE2-O 3.32Å; F115-D386 PolarHBondContact N-OD2 3.25Å; F115-H388 HydrophobicContact CD1-CB 4.17Å; F115-H388 AromaticContact CD1-CD2 3.56Å; F115-H388 HydrophobicContact CD2-CB 3.81Å; F115-H388 HydrophobicContact CE1-CB 4.12Å; F115-H388 AromaticContact CE1-CD2 3.9Å; F115-H388 HydrophobicContact CE2-CB 3.71Å; F115-H388 VanDerWaalsContact CE2-N 3.32Å; F115-H388 HydrophobicContact CG-CB 4.02Å; F115-H388 AromaticContact CG-CD2 3.94Å; F115-H388 HydrophobicContact CZ-CB 3.87Å; F115-V395 HydrophobicContact CD2-CG2 3.98Å; F115-V395 HydrophobicContact CE1-CG1 4.01Å; F115-V395 HydrophobicContact CE1-CG2 4.48Å; F115-V395 HydrophobicContact CE2-CB 4.32Å; F115-V395 HydrophobicContact CE2-CG1 4.18Å; F115-V395 HydrophobicContact CE2-CG2 3.53Å; F115-V395 HydrophobicContact CZ-CB 4.19Å; F115-V395 HydrophobicContact CZ-CG1 3.57Å; F115-V395 HydrophobicContact CZ-CG2 3.82Å
116H96.6Very high96.7Very high1 Ų131.4 Ų31.41%0.00516%0.158CC..  trans-71.7138.8163.2-175.8-84.2000109.3V118 F119 L121 F157 G161 F178H116-V118 VanDerWaalsContact C-N 3.3Å; H116-V118 PolarHBondContact ND1-N 3.25Å; H116-V118 VanDerWaalsContact ND1-N 3.12Å; H116-V118 PolarHBondContact O-N 3.04Å; H116-F119 AromaticContact CE1-CD2 3.11Å; H116-F119 WeakPolarHBondContact CE1-CD2 3.38Å; H116-F119 AromaticContact CE1-CE2 3.67Å; H116-F119 AromaticContact CE1-CG 3.81Å; H116-F119 AromaticContact ND1-CD2 3.6Å; H116-F119 AromaticContact ND1-CG 3.91Å; H116-F119 PolarHBondContact ND1-N 2.88Å; H116-F119 AromaticContact NE2-CD2 3.63Å; H116-L121 HydrophobicContact CB-CB 4.01Å; H116-L121 VanDerWaalsContact CB-O 3.28Å; H116-L121 WeakPolarHBondContact CB-O 3.35Å; H116-L121 PolarHBondContact N-O 2.88Å; H116-F157 HydrophobicContact CB-CE2 4.04Å; H116-F157 HydrophobicContact CB-CZ 4.23Å; H116-F157 AromaticContact CD2-CD1 3.95Å; H116-F157 AromaticContact CD2-CE1 3.58Å; H116-F157 AromaticContact CD2-CZ 3.71Å; H116-G161 VanDerWaalsContact NE2-CA 3.33Å; H116-G161 WeakPolarHBondContact NE2-CA 3.42Å; H116-G161 PolarHBondContact NE2-O 3.14Å; H116-G161 VanDerWaalsContact NE2-O 3.1Å; H116-F178 AromaticContact CD2-CD1 3.53Å; H116-F178 AromaticContact CD2-CE1 3.36Å; H116-F178 WeakPolarHBondContact CD2-CE1 3.43Å; H116-F178 AromaticContact NE2-CD1 3.68Å; H116-F178 AromaticContact NE2-CE1 3.91Å
117P93Very high96.7Very high53 Ų5335.3 Ų35.334%0.34418%0.176SC..SBendtrans-72.6-17.7-171.626.7-35.3000114.9F157 G161P117-F157 HydrophobicContact CG-CB 4.38Å; P117-G161 VanDerWaalsContact CG-CA 3.46Å
118V89.7Confident96.8Very high97 Ų9726.7 Ų26.759%0.58815%0.146SC*.SBendtrans-121.8-61.6-174.4-1770000112.6H116H116-V118 VanDerWaalsContact C-N 3.3Å; H116-V118 PolarHBondContact ND1-N 3.25Å; H116-V118 VanDerWaalsContact ND1-N 3.12Å; H116-V118 PolarHBondContact O-N 3.04Å
119F90.4Very high96.8Very high122 Ų12226.8 Ų26.854%0.53515%0.146SC..SBendtrans-75.2158178.4-50.7-54.2000113.8H116 L121H116-F119 AromaticContact CE1-CD2 3.11Å; H116-F119 WeakPolarHBondContact CE1-CD2 3.38Å; H116-F119 AromaticContact CE1-CE2 3.67Å; H116-F119 AromaticContact CE1-CG 3.81Å; H116-F119 AromaticContact ND1-CD2 3.6Å; H116-F119 AromaticContact ND1-CG 3.91Å; H116-F119 PolarHBondContact ND1-N 2.88Å; H116-F119 AromaticContact NE2-CD2 3.63Å; F119-L121 HydrophobicContact CB-CD1 4.14Å; F119-L121 HydrophobicContact CB-CG 4.09Å; F119-L121 PolarHBondContact O-N 3.17Å
120S93.4Very high96.7Very high38 Ų3826.5 Ų26.527%0.26614%0.144SC..SBendtrans-69.942.5175.7-57.90000114F136 E137S120-F136 WeakPolarHBondContact O-CD1 3.33Å; S120-F136 WeakPolarHBondContact O-CE1 3.2Å; S120-F136 PolarHBondContact O-N 2.77Å; S120-E137 VanDerWaalsContact CB-OE2 3.26Å; S120-E137 WeakPolarHBondContact CB-OE2 3.43Å; S120-E137 VanDerWaalsContact OG-CD 3.25Å; S120-E137 PolarHBondContact OG-OE2 3.46Å
121L96.3Very high96.7Very high19 Ų1926.5 Ų26.510%0.09915%0.145CC..EExtended strand (participates in β ladder)trans-117.5150.4-174-61.4176.9000111.5H116 F119 V133 W134 D135 E142 F178H116-L121 HydrophobicContact CB-CB 4.01Å; H116-L121 VanDerWaalsContact CB-O 3.28Å; H116-L121 WeakPolarHBondContact CB-O 3.35Å; H116-L121 PolarHBondContact N-O 2.88Å; F119-L121 HydrophobicContact CB-CD1 4.14Å; F119-L121 HydrophobicContact CB-CG 4.09Å; F119-L121 PolarHBondContact O-N 3.17Å; L121-V133 HydrophobicContact CB-CG1 4.29Å; L121-V133 HydrophobicContact CD1-CG1 4.18Å; L121-V133 HydrophobicContact CD2-CG1 4.38Å; L121-W134 CarbonylContact C-O 3.56Å; L121-W134 VanDerWaalsContact CA-O 3.31Å; L121-W134 WeakPolarHBondContact CA-O 3.34Å; L121-D135 HydrophobicContact CD2-CB 4.19Å; L121-E142 WeakPolarHBondContact CD1-OE2 3.16Å; L121-E142 WeakPolarHBondContact CD2-OE2 3.35Å; L121-F178 HydrophobicContact CD1-CE1 3.85Å; L121-F178 HydrophobicContact CD1-CZ 4.23Å
122I97.7Very high96.7Very high0 Ų026.8 Ų26.80%014%0.144CC..EExtended strand (participates in β ladder)trans-119.8143.3165.357.8174000110.1L103 V113 I114 F115 V133 W134 F136 V395 V403 V405L103-I122 HydrophobicContact CD1-CD1 3.64Å; V113-I122 HydrophobicContact CG2-CD1 4.4Å; I114-I122 WeakPolarHBondContact O-CA 3.41Å; F115-I122 HydrophobicContact CD1-CG2 3.29Å; F115-I122 HydrophobicContact CE1-CG2 3.5Å; F115-I122 HydrophobicContact CG-CG2 4.02Å; F115-I122 HydrophobicContact CZ-CG2 4.38Å; I122-V133 WeakPolarHBondContact O-CA 3.32Å; I122-W134 HydrophobicContact CD1-CB 4.24Å; I122-W134 HydrophobicContact CG1-CB 3.77Å; I122-W134 HydrophobicContact CG1-CG 4.26Å; I122-W134 PolarHBondContact N-O 3.18Å; I122-W134 PolarHBondContact O-N 2.69Å; I122-F136 HydrophobicContact CD1-CB 4.49Å; I122-F136 HydrophobicContact CG1-CB 4.48Å; I122-F136 HydrophobicContact CG2-CB 4.09Å; I122-F136 HydrophobicContact CG2-CD1 3.87Å; I122-F136 HydrophobicContact CG2-CG 4.33Å; I122-V395 HydrophobicContact CD1-CG1 4.1Å; I122-V395 HydrophobicContact CG2-CG1 4.12Å; I122-V395 HydrophobicContact CG2-CG2 4.47Å; I122-V403 HydrophobicContact CD1-CG1 4.02Å; I122-V405 HydrophobicContact CD1-CG2 4.45Å
123A98.3Very high96.7Very high0 Ų026 Ų260%014%0.141CC..EExtended strand (participates in β ladder)trans-107.1140.6169.800000109.2V113 I114 K132 I155 F157 L164V113-A123 WeakPolarHBondContact CA-O 3.35Å; I114-A123 HydrophobicContact CG1-CB 4.18Å; I114-A123 PolarHBondContact N-O 3.41Å; I114-A123 PolarHBondContact O-N 2.96Å; A123-K132 WeakPolarHBondContact CA-O 3.47Å; A123-I155 VanDerWaalsContact C-CD1 3.48Å; A123-I155 HydrophobicContact CB-CD1 3.72Å; A123-I155 WeakPolarHBondContact O-CD1 3.34Å; A123-F157 HydrophobicContact CB-CE2 3.75Å; A123-F157 HydrophobicContact CB-CZ 3.76Å; A123-L164 HydrophobicContact CB-CD1 4.46Å
124T98.5Very high96.7Very high0 Ų026.5 Ų26.50%014%0.143CC..EExtended strand (participates in β ladder)trans-134.1140.9-176.856.60000108.3H106 R112 V113 I131 K132 W134 V403H106-T124 PolarHBondContact NE2-OG1 3.07Å; H106-T124 VanDerWaalsContact NE2-OG1 3.13Å; R112-T124 WeakPolarHBondContact O-CA 3.33Å; V113-T124 HydrophobicContact CB-CG2 4.13Å; V113-T124 HydrophobicContact CG2-CG2 3.72Å; T124-I131 CarbonylContact O-C 3.56Å; T124-I131 WeakPolarHBondContact O-CA 3.3Å; T124-I131 VanDerWaalsContact O-CG2 3.24Å; T124-I131 WeakPolarHBondContact O-CG2 3.47Å; T124-K132 PolarHBondContact N-O 2.99Å; T124-K132 PolarHBondContact O-N 3.42Å; T124-K132 WeakPolarHBondContact OG1-CB 3.31Å; T124-K132 PolarHBondContact OG1-O 3.34Å; T124-W134 PolarHBondContact OG1-NE1 3.31Å; T124-V403 HydrophobicContact CG2-CB 4.37Å; T124-V403 HydrophobicContact CG2-CG1 4.1Å; T124-V403 HydrophobicContact CG2-CG2 3.72Å
125C98.2Very high96.6Very high0 Ų028.1 Ų28.10%015%0.151CC..EExtended strand (participates in β ladder)trans-129.8156.8174.671.80000111.2V110 T111 R112 I131 V152 I155V110-C125 CarbonylContact C-O 3.59Å; V110-C125 WeakPolarHBondContact CA-O 3.25Å; V110-C125 WeakPolarHBondContact CG1-O 3.45Å; T111-C125 PolarHBondContact N-O 3.21Å; T111-C125 PolarHBondContact OG1-O 3.1Å; T111-C125 VanDerWaalsContact OG1-O 3.07Å; T111-C125 PolarHBondContact OG1-SG 3.04Å; R112-C125 WeakPolarHBondContact CB-SG 3.33Å; R112-C125 PolarHBondContact N-O 2.8Å; R112-C125 PolarHBondContact O-N 2.96Å; C125-I131 HydrophobicContact CB-CG1 4.01Å; C125-V152 HydrophobicContact CB-CB 3.83Å; C125-V152 HydrophobicContact CB-CG1 3.52Å; C125-I155 HydrophobicContact CB-CD1 4.29Å; C125-I155 HydrophobicContact CB-CG1 4.47Å; C125-I155 HydrophobicContact CB-CG2 3.83Å
126S98.4Very high96.4Very high0 Ų027.4 Ų27.40%015%0.148CC..EExtended strand (participates in β ladder)trans-143.9162.6-168.6172.90000112.7H106 A108 P109 D128 A129 T130 V152H106-S126 VanDerWaalsContact CE1-CB 3.48Å; H106-S126 WeakPolarHBondContact CE1-CB 3.29Å; H106-S126 WeakPolarHBondContact ND1-CB 3.42Å; A108-S126 PolarHBondContact O-OG 3.5Å; P109-S126 VanDerWaalsContact O-CA 3.27Å; P109-S126 WeakPolarHBondContact O-CA 3.27Å; P109-S126 WeakPolarHBondContact O-CB 3.29Å; P109-S126 PolarHBondContact O-OG 3.47Å; S126-D128 WeakPolarHBondContact CB-OD1 3.23Å; S126-D128 PolarHBondContact O-N 2.76Å; S126-D128 PolarHBondContact OG-N 2.83Å; S126-D128 VanDerWaalsContact OG-N 3.15Å; S126-D128 PolarHBondContact OG-OD1 2.86Å; S126-A129 PolarHBondContact O-N 3.32Å; S126-T130 PolarHBondContact N-O 2.87Å; S126-V152 PolarHBondContact O-N 2.87Å
127E98.4Very high96.2Very high91 Ų9131.8 Ų31.843%0.42517%0.169SC..THydrogen-bonded Turntrans-60.8-13.8166.8-64.6-175.6179.200113A108 P109 T111 A129 C151A108-E127 HydrophobicContact CB-CB 3.88Å; P109-E127 HydrophobicContact CB-CG 4.18Å; P109-E127 WeakPolarHBondContact CD-OE2 3.39Å; P109-E127 WeakPolarHBondContact CG-OE2 3.48Å; P109-E127 PolarHBondContact O-N 2.97Å; T111-E127 HydrophobicContact CG2-CG 3.74Å; E127-A129 PolarHBondContact O-N 3.07Å; E127-A129 VanDerWaalsContact O-N 3.08Å; E127-C151 HydrophobicContact CB-CB 4.24Å; E127-C151 HydrophobicContact CG-CB 4.23Å; E127-C151 PolarHBondContact O-SG 3.26Å
128D97.8Very high96.2Very high36 Ų3632.2 Ų32.219%0.19317%0.171CC..THydrogen-bonded Turntrans-7511.3174.571.213000114.3H106 R107 A108 S126 T130H106-D128 WeakPolarHBondContact CA-OD2 3.38Å; H106-D128 IonicContact CE1-OD1 3.5Å; H106-D128 IonicContact CG-OD2 2.82Å; H106-D128 IonicContact ND1-OD1 3.05Å; H106-D128 PolarHBondContact ND1-OD1 2.7Å; H106-D128 IonicContact ND1-OD2 2.87Å; H106-D128 PolarHBondContact ND1-OD2 2.78Å; R107-D128 HydrophobicContact CB-CB 4.22Å; R107-D128 PolarHBondContact N-OD2 3.33Å; A108-D128 HydrophobicContact CB-CB 3.83Å; S126-D128 WeakPolarHBondContact CB-OD1 3.23Å; S126-D128 PolarHBondContact O-N 2.76Å; S126-D128 PolarHBondContact OG-N 2.83Å; S126-D128 VanDerWaalsContact OG-N 3.15Å; S126-D128 PolarHBondContact OG-OD1 2.86Å; D128-T130 VanDerWaalsContact CG-OG1 3.31Å; D128-T130 PolarHBondContact O-N 3.49Å; D128-T130 WeakPolarHBondContact OD1-CA 3.42Å; D128-T130 VanDerWaalsContact OD1-CB 3.31Å; D128-T130 WeakPolarHBondContact OD1-CB 3.49Å; D128-T130 PolarHBondContact OD1-N 3.44Å; D128-T130 PolarHBondContact OD1-OG1 3.05Å; D128-T130 PolarHBondContact OD2-OG1 3.39Å
129A98Very high96.3Very high20 Ų2028.5 Ų28.517%0.16515%0.152CC..SBendtrans62.516.3-177.200000114.8S126 E127 D150S126-A129 PolarHBondContact O-N 3.32Å; E127-A129 PolarHBondContact O-N 3.07Å; E127-A129 VanDerWaalsContact O-N 3.08Å; A129-D150 WeakPolarHBondContact CA-O 3.31Å; A129-D150 VanDerWaalsContact CB-O 3.31Å; A129-D150 WeakPolarHBondContact CB-O 3.41Å
130T97.9Very high96.5Very high18 Ų1827.6 Ų27.611%0.1115%0.153CC..EExtended strand (participates in β ladder)trans-116.7157.7179.376.50000113.4S126 D128 T144 K146S126-T130 PolarHBondContact N-O 2.87Å; D128-T130 VanDerWaalsContact CG-OG1 3.31Å; D128-T130 PolarHBondContact O-N 3.49Å; D128-T130 WeakPolarHBondContact OD1-CA 3.42Å; D128-T130 VanDerWaalsContact OD1-CB 3.31Å; D128-T130 WeakPolarHBondContact OD1-CB 3.49Å; D128-T130 PolarHBondContact OD1-N 3.44Å; D128-T130 PolarHBondContact OD1-OG1 3.05Å; D128-T130 PolarHBondContact OD2-OG1 3.39Å; T130-T144 HydrophobicContact CG2-CG2 4.11Å; T130-K146 HydrophobicContact CG2-CG 4.2Å
131I98.5Very high96.6Very high1 Ų130.7 Ų30.71%0.00516%0.162CC..EExtended strand (participates in β ladder)trans-115.6133.3167.7-53.8165.5000107T124 C125 T144 L145 V152 I155 L164 W176T124-I131 CarbonylContact O-C 3.56Å; T124-I131 WeakPolarHBondContact O-CA 3.3Å; T124-I131 VanDerWaalsContact O-CG2 3.24Å; T124-I131 WeakPolarHBondContact O-CG2 3.47Å; C125-I131 HydrophobicContact CB-CG1 4.01Å; I131-T144 CarbonylContact O-C 3.49Å; I131-T144 WeakPolarHBondContact O-CA 3.3Å; I131-L145 HydrophobicContact CB-CB 4.13Å; I131-L145 HydrophobicContact CB-CD1 4.29Å; I131-L145 HydrophobicContact CB-CG 4.38Å; I131-L145 HydrophobicContact CG2-CD1 4.21Å; I131-L145 PolarHBondContact N-O 3.13Å; I131-L145 VanDerWaalsContact N-O 3.13Å; I131-L145 PolarHBondContact O-N 2.79Å; I131-V152 HydrophobicContact CD1-CG1 4.46Å; I131-V152 HydrophobicContact CG1-CG1 4.17Å; I131-V152 HydrophobicContact CG1-CG2 4.43Å; I131-I155 HydrophobicContact CD1-CG2 4.05Å; I131-I155 HydrophobicContact CG1-CG2 4.3Å; I131-L164 HydrophobicContact CD1-CD2 4.38Å; I131-L164 HydrophobicContact CG2-CD2 4.15Å; I131-W176 HydrophobicContact CD1-CZ2 4.44Å
132K98.4Very high96.6Very high26 Ų2633.9 Ų33.911%0.11318%0.176CC..EExtended strand (participates in β ladder)trans-118.9142.8176.5-67.1179.2-179.9-79.60110.9G105 A123 T124 W134 F141 K143 T144G105-K132 WeakPolarHBondContact O-CE 3.4Å; A123-K132 WeakPolarHBondContact CA-O 3.47Å; T124-K132 PolarHBondContact N-O 2.99Å; T124-K132 PolarHBondContact O-N 3.42Å; T124-K132 WeakPolarHBondContact OG1-CB 3.31Å; T124-K132 PolarHBondContact OG1-O 3.34Å; K132-W134 HydrophobicContact CB-CZ2 3.72Å; K132-W134 HydrophobicContact CD-CH2 4.05Å; K132-W134 HydrophobicContact CD-CZ2 3.47Å; K132-W134 VanDerWaalsContact CD-CZ2 3.47Å; K132-W134 HydrophobicContact CG-CZ2 4.24Å; K132-F141 HydrophobicContact CB-CE2 4.26Å; K132-F141 HydrophobicContact CD-CE2 4.25Å; K132-F141 HydrophobicContact CG-CE2 4.13Å; K132-K143 WeakPolarHBondContact CA-O 3.17Å; K132-T144 HydrophobicContact CG-CG2 4.29Å; K132-T144 PolarHBondContact NZ-OG1 3.25Å
133V98.1Very high96.5Very high0 Ų038.7 Ų38.70%020%0.197CC..EExtended strand (participates in β ladder)trans-112135177.5-176.60000108.5L121 I122 E142 K143 F178 Y181L121-V133 HydrophobicContact CB-CG1 4.29Å; L121-V133 HydrophobicContact CD1-CG1 4.18Å; L121-V133 HydrophobicContact CD2-CG1 4.38Å; I122-V133 WeakPolarHBondContact O-CA 3.32Å; V133-E142 HydrophobicContact CB-CB 4.42Å; V133-E142 HydrophobicContact CG1-CB 4.27Å; V133-E142 PolarHBondContact O-N 2.77Å; V133-K143 HydrophobicContact CB-CB 4.44Å; V133-K143 PolarHBondContact N-O 2.97Å; V133-K143 PolarHBondContact O-N 3.39Å; V133-F178 HydrophobicContact CG1-CE2 4.36Å; V133-F178 HydrophobicContact CG1-CZ 3.76Å; V133-F178 HydrophobicContact CG2-CE2 3.68Å; V133-F178 HydrophobicContact CG2-CZ 3.96Å; V133-Y181 HydrophobicContact CG2-CE1 4.16Å
134W97.9Very high96.5Very high11 Ų1140.5 Ų40.54%0.04221%0.208CC..EExtended strand (participates in β ladder)trans-136.7146.1-176.3-41.581.4000110.1L103 S104 L121 I122 T124 K132 D140 F141L103-W134 HydrophobicContact CB-CD2 4.39Å; L103-W134 HydrophobicContact CB-CE3 4.2Å; L103-W134 HydrophobicContact CB-CZ3 4.37Å; L103-W134 HydrophobicContact CD1-CB 3.87Å; L103-W134 HydrophobicContact CD1-CD2 4.16Å; L103-W134 HydrophobicContact CD1-CE3 4.42Å; L103-W134 HydrophobicContact CD1-CG 3.92Å; S104-W134 WeakPolarHBondContact O-CH2 3.39Å; L121-W134 CarbonylContact C-O 3.56Å; L121-W134 VanDerWaalsContact CA-O 3.31Å; L121-W134 WeakPolarHBondContact CA-O 3.34Å; I122-W134 HydrophobicContact CD1-CB 4.24Å; I122-W134 HydrophobicContact CG1-CB 3.77Å; I122-W134 HydrophobicContact CG1-CG 4.26Å; I122-W134 PolarHBondContact N-O 3.18Å; I122-W134 PolarHBondContact O-N 2.69Å; T124-W134 PolarHBondContact OG1-NE1 3.31Å; K132-W134 HydrophobicContact CB-CZ2 3.72Å; K132-W134 HydrophobicContact CD-CH2 4.05Å; K132-W134 HydrophobicContact CD-CZ2 3.47Å; K132-W134 VanDerWaalsContact CD-CZ2 3.47Å; K132-W134 HydrophobicContact CG-CZ2 4.24Å; W134-D140 CarbonylContact C-O 3.58Å; W134-D140 VanDerWaalsContact CA-O 3.31Å; W134-D140 WeakPolarHBondContact CA-O 3.19Å; W134-F141 HydrophobicContact CD2-CD2 4.32Å; W134-F141 HydrophobicContact CE3-CB 3.74Å; W134-F141 AromaticContact CE3-CD2 3.93Å; W134-F141 HydrophobicContact CE3-CD2 3.93Å; W134-F141 HydrophobicContact CE3-CG 4.34Å; W134-F141 AromaticContact CH2-CD2 3.95Å; W134-F141 HydrophobicContact CH2-CD2 3.95Å; W134-F141 HydrophobicContact CZ2-CD2 4.34Å; W134-F141 HydrophobicContact CZ3-CB 3.66Å; W134-F141 AromaticContact CZ3-CD2 3.74Å; W134-F141 HydrophobicContact CZ3-CD2 3.74Å; W134-F141 HydrophobicContact CZ3-CG 4.12Å
135D95.6Very high96.4Very high41 Ų4140.8 Ų40.822%0.21921%0.209CC..EExtended strand (participates in β ladder)trans-82119.2165.5-174-38.3000108.5L121 E137 T138 G139 D140L121-D135 HydrophobicContact CD2-CB 4.19Å; D135-E137 WeakPolarHBondContact OD1-CA 3.27Å; D135-E137 WeakPolarHBondContact OD1-CB 3.17Å; D135-E137 PolarHBondContact OD1-N 3.41Å; D135-T138 PolarHBondContact OD1-N 2.72Å; D135-G139 CarbonylContact O-C 3.54Å; D135-G139 WeakPolarHBondContact O-CA 3.17Å; D135-G139 PolarHBondContact O-N 2.93Å; D135-D140 PolarHBondContact N-O 3.26Å; D135-D140 PolarHBondContact O-N 2.72Å
136F93.6Very high96.3Very high2 Ų248.3 Ų48.31%0.00924%0.242CC..THydrogen-bonded Turntrans-85.1-13.2-178.470.8-101.5000113.3Y101 F115 S120 I122 H388 Y393 V405Y101-F136 WeakPolarHBondContact CD2-O 3.4Å; Y101-F136 WeakPolarHBondContact CE2-O 3.28Å; F115-F136 AromaticContact CD1-CD1 3.81Å; F115-F136 HydrophobicContact CD1-CD1 3.81Å; F115-F136 AromaticContact CD1-CE1 3.73Å; F115-F136 HydrophobicContact CD1-CE1 3.73Å; F115-F136 HydrophobicContact CD1-CG 4.44Å; F115-F136 HydrophobicContact CD1-CZ 4.38Å; F115-F136 HydrophobicContact CE1-CB 4.48Å; F115-F136 AromaticContact CE1-CD1 3.71Å; F115-F136 HydrophobicContact CE1-CD1 3.71Å; F115-F136 HydrophobicContact CE1-CD2 4.2Å; F115-F136 AromaticContact CE1-CE1 3.86Å; F115-F136 HydrophobicContact CE1-CE1 3.86Å; F115-F136 HydrophobicContact CE1-CE2 4.4Å; F115-F136 AromaticContact CE1-CG 3.88Å; F115-F136 HydrophobicContact CE1-CG 3.88Å; F115-F136 HydrophobicContact CE1-CZ 4.24Å; S120-F136 WeakPolarHBondContact O-CD1 3.33Å; S120-F136 WeakPolarHBondContact O-CE1 3.2Å; S120-F136 PolarHBondContact O-N 2.77Å; I122-F136 HydrophobicContact CD1-CB 4.49Å; I122-F136 HydrophobicContact CG1-CB 4.48Å; I122-F136 HydrophobicContact CG2-CB 4.09Å; I122-F136 HydrophobicContact CG2-CD1 3.87Å; I122-F136 HydrophobicContact CG2-CG 4.33Å; F136-H388 AromaticContact CE1-CD2 3.9Å; F136-H388 AromaticContact CZ-CD2 3.55Å; F136-H388 AromaticContact CZ-NE2 3.77Å; F136-Y393 AromaticContact CD2-CD2 3.94Å; F136-Y393 HydrophobicContact CD2-CD2 3.94Å; F136-Y393 HydrophobicContact CD2-CE2 4.25Å; F136-Y393 HydrophobicContact CD2-CG 4.21Å; F136-Y393 AromaticContact CE2-CD2 3.44Å; F136-Y393 HydrophobicContact CE2-CD2 3.44Å; F136-Y393 VanDerWaalsContact CE2-CD2 3.44Å; F136-Y393 AromaticContact CE2-CE2 3.74Å; F136-Y393 HydrophobicContact CE2-CE2 3.74Å; F136-Y393 HydrophobicContact CE2-CG 4.13Å; F136-Y393 HydrophobicContact CZ-CD2 4.43Å; F136-V405 HydrophobicContact CB-CG1 4.26Å; F136-V405 HydrophobicContact CB-CG2 4.14Å
137E92.1Very high96.2Very high92 Ų9250.1 Ų50.143%0.4326%0.261SS..THydrogen-bonded Turntrans-81.9-38.5176.7-69.5-170.6132.200111.6K100 Y101 S120 D135K100-E137 PolarHBondContact NZ-O 3.41Å; Y101-E137 VanDerWaalsContact CE2-O 3.31Å; Y101-E137 WeakPolarHBondContact CE2-O 3.23Å; Y101-E137 PolarHBondContact OH-O 3.44Å; S120-E137 VanDerWaalsContact CB-OE2 3.26Å; S120-E137 WeakPolarHBondContact CB-OE2 3.43Å; S120-E137 VanDerWaalsContact OG-CD 3.25Å; S120-E137 PolarHBondContact OG-OE2 3.46Å; D135-E137 WeakPolarHBondContact OD1-CA 3.27Å; D135-E137 WeakPolarHBondContact OD1-CB 3.17Å; D135-E137 PolarHBondContact OD1-N 3.41Å
138T92.6Very high96.1Very high63 Ų6346.5 Ų46.539%0.38724%0.244SC..THydrogen-bonded Turntrans-99.3-25.8177.8710000113.6Y101 D135 D140Y101-T138 WeakPolarHBondContact CE1-O 3.35Å; D135-T138 PolarHBondContact OD1-N 2.72Å; T138-D140 VanDerWaalsContact CB-OD2 3.28Å; T138-D140 WeakPolarHBondContact CB-OD2 3.46Å; T138-D140 WeakPolarHBondContact OG1-CB 3.46Å; T138-D140 PolarHBondContact OG1-N 2.92Å; T138-D140 PolarHBondContact OG1-OD2 2.9Å
139G92.2Very high96.1Very high19 Ų1950.6 Ų50.620%0.19627%0.27CS..  trans8411.3-172.900000113.9L103 D135L103-G139 WeakPolarHBondContact CD2-O 3.4Å; D135-G139 CarbonylContact O-C 3.54Å; D135-G139 WeakPolarHBondContact O-CA 3.17Å; D135-G139 PolarHBondContact O-N 2.93Å
140D95Very high96.1Very high103 Ų10353.1 Ų53.155%0.55128%0.281SS*.  trans-81.4147.6-176-66.7-43.6000112.8W134 D135 T138W134-D140 CarbonylContact C-O 3.58Å; W134-D140 VanDerWaalsContact CA-O 3.31Å; W134-D140 WeakPolarHBondContact CA-O 3.19Å; D135-D140 PolarHBondContact N-O 3.26Å; D135-D140 PolarHBondContact O-N 2.72Å; T138-D140 VanDerWaalsContact CB-OD2 3.28Å; T138-D140 WeakPolarHBondContact CB-OD2 3.46Å; T138-D140 WeakPolarHBondContact OG1-CB 3.46Å; T138-D140 PolarHBondContact OG1-N 2.92Å; T138-D140 PolarHBondContact OG1-OD2 2.9Å
141F96.3Very high96.1Very high103 Ų10353.6 Ų53.645%0.45229%0.285SS..EExtended strand (participates in β ladder)trans-83.2127.7171.6168.6-99.6000110.4K132 W134 K143 T144K132-F141 HydrophobicContact CB-CE2 4.26Å; K132-F141 HydrophobicContact CD-CE2 4.25Å; K132-F141 HydrophobicContact CG-CE2 4.13Å; W134-F141 HydrophobicContact CD2-CD2 4.32Å; W134-F141 HydrophobicContact CE3-CB 3.74Å; W134-F141 AromaticContact CE3-CD2 3.93Å; W134-F141 HydrophobicContact CE3-CD2 3.93Å; W134-F141 HydrophobicContact CE3-CG 4.34Å; W134-F141 AromaticContact CH2-CD2 3.95Å; W134-F141 HydrophobicContact CH2-CD2 3.95Å; W134-F141 HydrophobicContact CZ2-CD2 4.34Å; W134-F141 HydrophobicContact CZ3-CB 3.66Å; W134-F141 AromaticContact CZ3-CD2 3.74Å; W134-F141 HydrophobicContact CZ3-CD2 3.74Å; W134-F141 HydrophobicContact CZ3-CG 4.12Å; F141-K143 VanDerWaalsContact CE2-O 3.26Å; F141-K143 WeakPolarHBondContact CE2-O 3.39Å; F141-T144 WeakPolarHBondContact CE2-OG1 3.35Å; F141-T144 WeakPolarHBondContact CZ-OG1 3.26Å
142E94.3Very high96.1Very high86 Ų8653.5 Ų53.540%0.40228%0.284SS..EExtended strand (participates in β ladder)trans-101.9-56.7-178.6-170.2-179.1165.800112.3L121 V133 Y181L121-E142 WeakPolarHBondContact CD1-OE2 3.16Å; L121-E142 WeakPolarHBondContact CD2-OE2 3.35Å; V133-E142 HydrophobicContact CB-CB 4.42Å; V133-E142 HydrophobicContact CG1-CB 4.27Å; V133-E142 PolarHBondContact O-N 2.77Å; E142-Y181 PolarHBondContact OE1-OH 3.4Å; E142-Y181 PolarHBondContact OE2-OH 3.31Å
143K96.5Very high96.1Very high101 Ų10154.5 Ų54.544%0.43929%0.289SS..EExtended strand (participates in β ladder)trans-151.8151.7-170.7-158.269.9173.1-1690112.9K132 V133 F141 L145 Y181K132-K143 WeakPolarHBondContact CA-O 3.17Å; V133-K143 HydrophobicContact CB-CB 4.44Å; V133-K143 PolarHBondContact N-O 2.97Å; V133-K143 PolarHBondContact O-N 3.39Å; F141-K143 VanDerWaalsContact CE2-O 3.26Å; F141-K143 WeakPolarHBondContact CE2-O 3.39Å; K143-L145 HydrophobicContact CG-CD2 4.21Å; K143-Y181 HydrophobicContact CB-CD2 4.45Å; K143-Y181 HydrophobicContact CB-CE2 4.33Å; K143-Y181 HydrophobicContact CD-CD2 4.34Å; K143-Y181 HydrophobicContact CG-CD1 4.41Å; K143-Y181 HydrophobicContact CG-CD2 3.95Å; K143-Y181 HydrophobicContact CG-CE2 4.32Å; K143-Y181 HydrophobicContact CG-CG 3.98Å
144T97.4Very high96.1Very high37 Ų3754.6 Ų54.623%0.22729%0.29CS..EExtended strand (participates in β ladder)trans-115.8124.7165.9-62.10000109T130 I131 K132 F141 K146T130-T144 HydrophobicContact CG2-CG2 4.11Å; I131-T144 CarbonylContact O-C 3.49Å; I131-T144 WeakPolarHBondContact O-CA 3.3Å; K132-T144 HydrophobicContact CG-CG2 4.29Å; K132-T144 PolarHBondContact NZ-OG1 3.25Å; F141-T144 WeakPolarHBondContact CE2-OG1 3.35Å; F141-T144 WeakPolarHBondContact CZ-OG1 3.26Å; T144-K146 HydrophobicContact CG2-CG 4.02Å
145L97.5Very high96.1Very high6 Ų654.1 Ų54.13%0.03129%0.288CS..EExtended strand (participates in β ladder)trans-93.4127.8171.5-42.6178.5000108.7I131 K143 L164 W176 Y181I131-L145 HydrophobicContact CB-CB 4.13Å; I131-L145 HydrophobicContact CB-CD1 4.29Å; I131-L145 HydrophobicContact CB-CG 4.38Å; I131-L145 HydrophobicContact CG2-CD1 4.21Å; I131-L145 PolarHBondContact N-O 3.13Å; I131-L145 VanDerWaalsContact N-O 3.13Å; I131-L145 PolarHBondContact O-N 2.79Å; K143-L145 HydrophobicContact CG-CD2 4.21Å; L145-L164 HydrophobicContact CD1-CD2 3.78Å; L145-W176 HydrophobicContact CB-CE3 4.23Å; L145-W176 HydrophobicContact CB-CH2 4.37Å; L145-W176 HydrophobicContact CB-CZ3 4.09Å; L145-W176 HydrophobicContact CD1-CD2 4.26Å; L145-W176 HydrophobicContact CD1-CE3 4.36Å; L145-W176 HydrophobicContact CD1-CG 4.34Å; L145-Y181 HydrophobicContact CD2-CD1 3.67Å; L145-Y181 HydrophobicContact CD2-CG 3.94Å
146K96.4Very high96.2Very high159 Ų15952.8 Ų52.869%0.69128%0.283SS*.EExtended strand (participates in β ladder)trans-124.1139178.6-63.4-175179.21790108.9T130 T144T130-K146 HydrophobicContact CG2-CG 4.2Å; T144-K146 HydrophobicContact CG2-CG 4.02Å
147G94.8Very high96.4Very high38 Ų3854 Ų5439%0.39229%0.288SS..  trans167.8-23175.300000113.9K174G147-K174 WeakPolarHBondContact O-CE 3.31Å
148H97.7Very high96.6Very high14 Ų1450.3 Ų50.37%0.06527%0.272CS..  trans-72.6149.6165.2-77.5-63.9000110.7V152 S166 S168 D170 S172H148-V152 HydrophobicContact CB-CG2 3.95Å; H148-S166 PolarHBondContact CD2-OG 3.11Å; H148-S166 PolarHBondContact NE2-OG 3.18Å; H148-S168 WeakPolarHBondContact ND1-CB 3.24Å; H148-D170 WeakPolarHBondContact CA-OD2 3.24Å; H148-D170 WeakPolarHBondContact CB-OD2 3.42Å; H148-D170 IonicContact CE1-OD1 3.91Å; H148-D170 IonicContact CE1-OD2 3.95Å; H148-D170 IonicContact CG-OD2 3.52Å; H148-D170 IonicContact ND1-OD1 3.37Å; H148-D170 PolarHBondContact ND1-OD1 3.45Å; H148-D170 IonicContact ND1-OD2 2.81Å; H148-D170 PolarHBondContact ND1-OD2 2.89Å; H148-S172 PolarHBondContact CE1-OG 3.18Å; H148-S172 PolarHBondContact ND1-OG 2.96Å
149T97Very high96.6Very high122 Ų12251.1 Ų51.175%0.74828%0.284SS*.SBendtrans-104.8-4.1-179.156.80000113.3D170T149-D170 PolarHBondContact N-OD2 3.13Å; T149-D170 VanDerWaalsContact N-OD2 3.09Å; T149-D170 VanDerWaalsContact OG1-CB 3.28Å; T149-D170 WeakPolarHBondContact OG1-CB 3.37Å
150D97.9Very high96.7Very high73 Ų7353.9 Ų53.939%0.3930%0.298SS..SBendtrans-146.5176.1178.9-162.5-0.9000109.5A129 V152 S168 D170A129-D150 WeakPolarHBondContact CA-O 3.31Å; A129-D150 VanDerWaalsContact CB-O 3.31Å; A129-D150 WeakPolarHBondContact CB-O 3.41Å; D150-V152 PolarHBondContact O-N 2.93Å; D150-S168 VanDerWaalsContact C-OG 3.26Å; D150-S168 PolarHBondContact O-OG 3.36Å; D150-D170 HydrophobicContact CB-CB 4Å
151C98.1Very high96.7Very high28 Ų2849 Ų4919%0.18927%0.272CS..  trans-44.8121.2-176.4-570000112.8E127 S168 G169E127-C151 HydrophobicContact CB-CB 4.24Å; E127-C151 HydrophobicContact CG-CB 4.23Å; E127-C151 PolarHBondContact O-SG 3.26Å; C151-S168 CarbonylContact O-C 3.51Å; C151-S168 WeakPolarHBondContact O-CA 3.33Å; C151-S168 WeakPolarHBondContact O-CB 3.39Å; C151-S168 PolarHBondContact O-OG 2.74Å; C151-S168 VanDerWaalsContact O-OG 3.05Å; C151-G169 PolarHBondContact O-N 3.5Å
152V98.6Very high96.6Very high0 Ų050.6 Ų50.60%028%0.279CS..EExtended strand (participates in β ladder)trans-80.5125.1172.9-1720000108T111 C125 S126 I131 H148 D150 I155 C167T111-V152 WeakPolarHBondContact CB-O 3.49Å; T111-V152 WeakPolarHBondContact CG2-O 3.2Å; T111-V152 PolarHBondContact OG1-O 3.3Å; C125-V152 HydrophobicContact CB-CB 3.83Å; C125-V152 HydrophobicContact CB-CG1 3.52Å; S126-V152 PolarHBondContact O-N 2.87Å; I131-V152 HydrophobicContact CD1-CG1 4.46Å; I131-V152 HydrophobicContact CG1-CG1 4.17Å; I131-V152 HydrophobicContact CG1-CG2 4.43Å; H148-V152 HydrophobicContact CB-CG2 3.95Å; D150-V152 PolarHBondContact O-N 2.93Å; V152-I155 HydrophobicContact CG1-CG2 4.3Å; V152-C167 CarbonylContact C-O 3.49Å; V152-C167 WeakPolarHBondContact CA-O 3.31Å; V152-C167 WeakPolarHBondContact CG1-O 3.4Å
153Q98Very high96.7Very high46 Ų4648.1 Ų48.122%0.21527%0.268CS..EExtended strand (participates in β ladder)trans-98.5-40.7-169.8-61.8-65.5-33.900113C167 N193 V194Q153-C167 PolarHBondContact N-O 3.36Å; Q153-N193 WeakPolarHBondContact CG-OD1 3.1Å; Q153-V194 WeakPolarHBondContact CG-O 3.27Å
154D98.3Very high96.8Very high2 Ų243.3 Ų43.31%0.01125%0.247CC..EExtended strand (participates in β ladder)trans-147.6155-177.4-165-3.7000109.6R112 S166 C167 T195 S196 V197 R240R112-D154 WeakPolarHBondContact CD-OD1 3.42Å; R112-D154 IonicContact CZ-OD1 3.77Å; R112-D154 IonicContact NE-OD1 3.43Å; R112-D154 PolarHBondContact NE-OD1 2.71Å; R112-D154 IonicContact NE-OD2 2.68Å; D154-S166 WeakPolarHBondContact O-CA 3.42Å; D154-C167 PolarHBondContact O-N 3.12Å; D154-T195 WeakPolarHBondContact CB-O 3.36Å; D154-S196 VanDerWaalsContact OD2-CA 3.26Å; D154-S196 WeakPolarHBondContact OD2-CA 3.5Å; D154-S196 WeakPolarHBondContact OD2-CB 3.34Å; D154-S196 PolarHBondContact OD2-OG 2.86Å; D154-V197 HydrophobicContact CB-CG1 4.27Å; D154-V197 PolarHBondContact OD2-N 2.85Å; D154-R240 IonicContact OD1-NH2 3.96Å; D154-R240 IonicContact OD2-CZ 2.9Å; D154-R240 IonicContact OD2-NH1 3.61Å; D154-R240 PolarHBondContact OD2-NH1 3.26Å; D154-R240 VanDerWaalsContact OD2-NH1 3.16Å; D154-R240 IonicContact OD2-NH2 2.71Å; D154-R240 PolarHBondContact OD2-NH2 2.89Å
155I98.4Very high96.9Very high1 Ų141.5 Ų41.51%0.00524%0.236CC..EExtended strand (participates in β ladder)trans-138.5147.4175.550.2172.2000109.2R112 I114 A123 C125 I131 V152 L164 A165R112-I155 HydrophobicContact CB-CG1 4.03Å; R112-I155 HydrophobicContact CG-CG1 3.87Å; I114-I155 HydrophobicContact CD1-CB 4.24Å; I114-I155 HydrophobicContact CD1-CD1 4.04Å; I114-I155 HydrophobicContact CD1-CG1 3.87Å; I114-I155 HydrophobicContact CG1-CD1 3.8Å; I114-I155 HydrophobicContact CG1-CG1 4.03Å; A123-I155 VanDerWaalsContact C-CD1 3.48Å; A123-I155 HydrophobicContact CB-CD1 3.72Å; A123-I155 WeakPolarHBondContact O-CD1 3.34Å; C125-I155 HydrophobicContact CB-CD1 4.29Å; C125-I155 HydrophobicContact CB-CG1 4.47Å; C125-I155 HydrophobicContact CB-CG2 3.83Å; I131-I155 HydrophobicContact CD1-CG2 4.05Å; I131-I155 HydrophobicContact CG1-CG2 4.3Å; V152-I155 HydrophobicContact CG1-CG2 4.3Å; I155-L164 HydrophobicContact CB-CD1 4.16Å; I155-A165 CarbonylContact C-O 3.52Å; I155-A165 WeakPolarHBondContact CA-O 3.42Å
156A98.2Very high96.9Very high14 Ų1441.2 Ų41.212%0.11624%0.235CC..EExtended strand (participates in β ladder)trans-143.4143.6175.300000110.3L164 A165 V197 F199A156-L164 WeakPolarHBondContact O-CA 3.47Å; A156-A165 PolarHBondContact N-O 3.11Å; A156-A165 PolarHBondContact O-N 3.37Å; A156-V197 HydrophobicContact CB-CG1 4.13Å; A156-F199 HydrophobicContact CB-CD2 4.05Å; A156-F199 HydrophobicContact CB-CE2 4.37Å; A156-F199 VanDerWaalsContact O-CE2 3.31Å; A156-F199 WeakPolarHBondContact O-CE2 3.39Å
157F98Very high97Very high27 Ų2733.7 Ų33.712%0.11820%0.202CC..EExtended strand (participates in β ladder)trans-93.3149.7166.3-75.6-70000110.5I114 F115 H116 P117 A123 L163 L164 F178 F199I114-F157 HydrophobicContact CD1-CD2 3.41Å; I114-F157 VanDerWaalsContact CD1-CD2 3.41Å; I114-F157 HydrophobicContact CD1-CE2 3.73Å; I114-F157 HydrophobicContact CD1-CG 4.28Å; I114-F157 HydrophobicContact CG1-CD2 3.96Å; I114-F157 HydrophobicContact CG1-CE2 3.91Å; F115-F157 WeakPolarHBondContact O-CD2 3.48Å; H116-F157 HydrophobicContact CB-CE2 4.04Å; H116-F157 HydrophobicContact CB-CZ 4.23Å; H116-F157 AromaticContact CD2-CD1 3.95Å; H116-F157 AromaticContact CD2-CE1 3.58Å; H116-F157 AromaticContact CD2-CZ 3.71Å; P117-F157 HydrophobicContact CG-CB 4.38Å; A123-F157 HydrophobicContact CB-CE2 3.75Å; A123-F157 HydrophobicContact CB-CZ 3.76Å; F157-L163 WeakPolarHBondContact CA-O 3.32Å; F157-L164 HydrophobicContact CD1-CB 4.13Å; F157-L164 HydrophobicContact CD1-CD1 3.89Å; F157-L164 HydrophobicContact CD2-CD1 4.35Å; F157-L164 HydrophobicContact CE1-CB 3.89Å; F157-L164 HydrophobicContact CE1-CD1 3.65Å; F157-L164 HydrophobicContact CE1-CG 4.29Å; F157-L164 HydrophobicContact CE2-CD1 4.13Å; F157-L164 HydrophobicContact CG-CD1 4.24Å; F157-L164 HydrophobicContact CZ-CD1 3.78Å; F157-F178 HydrophobicContact CE1-CB 4.38Å; F157-F178 HydrophobicContact CE1-CD1 4Å; F157-F178 AromaticContact CE1-CD2 3.54Å; F157-F178 HydrophobicContact CE1-CD2 3.54Å; F157-F178 HydrophobicContact CE1-CE1 4.13Å; F157-F178 AromaticContact CE1-CE2 3.67Å; F157-F178 HydrophobicContact CE1-CE2 3.67Å; F157-F178 AromaticContact CE1-CG 3.7Å; F157-F178 HydrophobicContact CE1-CG 3.7Å; F157-F178 AromaticContact CE1-CZ 3.97Å; F157-F178 HydrophobicContact CE1-CZ 3.97Å; F157-F178 HydrophobicContact CZ-CD1 4.48Å; F157-F178 AromaticContact CZ-CD2 3.97Å; F157-F178 HydrophobicContact CZ-CD2 3.97Å; F157-F178 HydrophobicContact CZ-CE1 4.15Å; F157-F178 AromaticContact CZ-CE2 3.58Å; F157-F178 HydrophobicContact CZ-CE2 3.58Å; F157-F178 HydrophobicContact CZ-CG 4.4Å; F157-F178 AromaticContact CZ-CZ 3.68Å; F157-F178 HydrophobicContact CZ-CZ 3.68Å; F157-F199 VanDerWaalsContact C-CD2 3.41Å; F157-F199 WeakPolarHBondContact O-CD2 3.34Å
158N95.9Very high97.2Very high15 Ų1531.9 Ų31.98%0.0818%0.183CC..  trans-73.6166.9162.973.2-14.8000110.6T160 G161 K162 L163 F199N158-T160 PolarHBondContact ND2-OG1 2.75Å; N158-T160 PolarHBondContact O-N 3.34Å; N158-T160 VanDerWaalsContact O-N 3.07Å; N158-T160 PolarHBondContact OD1-OG1 2.99Å; N158-G161 PolarHBondContact O-N 2.83Å; N158-G161 WeakPolarHBondContact OD1-CA 3.24Å; N158-G161 PolarHBondContact OD1-N 2.93Å; N158-K162 PolarHBondContact OD1-N 2.59Å; N158-K162 VanDerWaalsContact OD1-N 3.08Å; N158-L163 HydrophobicContact CB-CB 4.31Å; N158-L163 PolarHBondContact N-O 3.21Å; N158-L163 PolarHBondContact OD1-N 3.21Å; N158-L163 VanDerWaalsContact OD1-N 3.07Å; N158-L163 PolarHBondContact OD1-O 2.92Å; N158-F199 HydrophobicContact CB-CD1 3.83Å; N158-F199 HydrophobicContact CB-CD2 4.13Å; N158-F199 HydrophobicContact CB-CE1 3.98Å; N158-F199 HydrophobicContact CB-CE2 4.27Å; N158-F199 HydrophobicContact CB-CG 3.9Å; N158-F199 HydrophobicContact CB-CZ 4.2Å
159A92.9Very high97.2Very high79 Ų7931.7 Ų31.765%0.65319%0.185SC*.THydrogen-bonded Turntrans-58.2-26.8-176.900000114.1
160T93.3Very high97.2Very high78 Ų7827.2 Ų27.248%0.47916%0.156SC..THydrogen-bonded Turntrans-86-13.1178.265.20000113.9N158 K162N158-T160 PolarHBondContact ND2-OG1 2.75Å; N158-T160 PolarHBondContact O-N 3.34Å; N158-T160 VanDerWaalsContact O-N 3.07Å; N158-T160 PolarHBondContact OD1-OG1 2.99Å; T160-K162 PolarHBondContact O-N 3.18Å; T160-K162 PolarHBondContact OG1-N 2.68Å
161G94.2Very high97.2Very high1 Ų128 Ų281%0.0116%0.159CC..SBendtrans75.3-8.6-172.200000115.3H116 P117 N158 L163 F178H116-G161 VanDerWaalsContact NE2-CA 3.33Å; H116-G161 WeakPolarHBondContact NE2-CA 3.42Å; H116-G161 PolarHBondContact NE2-O 3.14Å; H116-G161 VanDerWaalsContact NE2-O 3.1Å; P117-G161 VanDerWaalsContact CG-CA 3.46Å; N158-G161 PolarHBondContact O-N 2.83Å; N158-G161 WeakPolarHBondContact OD1-CA 3.24Å; N158-G161 PolarHBondContact OD1-N 2.93Å; G161-L163 VanDerWaalsContact C-N 3.33Å; G161-L163 PolarHBondContact O-N 2.69Å; G161-F178 WeakPolarHBondContact O-CB 3.35Å
162K95.6Very high97.2Very high135 Ų13526.8 Ų26.859%0.58715%0.151SC*.SBendtrans-68.7-30.3-177.2-64.5-174.8178.9-174.60113.7N158 T160 F178N158-K162 PolarHBondContact OD1-N 2.59Å; N158-K162 VanDerWaalsContact OD1-N 3.08Å; T160-K162 PolarHBondContact O-N 3.18Å; T160-K162 PolarHBondContact OG1-N 2.68Å; K162-F178 WeakPolarHBondContact O-CB 3.45Å; K162-F178 PolarHBondContact O-N 3.43Å
163L97.1Very high97.2Very high34 Ų3426.9 Ų26.918%0.17815%0.151CC..EExtended strand (participates in β ladder)trans-114.7131.7-179-65.3174.5000110F157 N158 G161 W176 I184 F199 I220F157-L163 WeakPolarHBondContact CA-O 3.32Å; N158-L163 HydrophobicContact CB-CB 4.31Å; N158-L163 PolarHBondContact N-O 3.21Å; N158-L163 PolarHBondContact OD1-N 3.21Å; N158-L163 VanDerWaalsContact OD1-N 3.07Å; N158-L163 PolarHBondContact OD1-O 2.92Å; G161-L163 VanDerWaalsContact C-N 3.33Å; G161-L163 PolarHBondContact O-N 2.69Å; L163-W176 WeakPolarHBondContact CA-O 3.17Å; L163-I184 HydrophobicContact CD2-CD1 3.39Å; L163-F199 HydrophobicContact CB-CE1 4.42Å; L163-F199 HydrophobicContact CB-CZ 4.09Å; L163-I220 HydrophobicContact CD1-CG2 4.11Å
164L98.1Very high97.2Very high0 Ų025.9 Ų25.90%015%0.146CC..EExtended strand (participates in β ladder)trans-107.9130.8168177.674.8000108.2I114 A123 I131 L145 I155 A156 F157 W176 F178I114-L164 HydrophobicContact CD1-CD1 4.36Å; A123-L164 HydrophobicContact CB-CD1 4.46Å; I131-L164 HydrophobicContact CD1-CD2 4.38Å; I131-L164 HydrophobicContact CG2-CD2 4.15Å; L145-L164 HydrophobicContact CD1-CD2 3.78Å; I155-L164 HydrophobicContact CB-CD1 4.16Å; A156-L164 WeakPolarHBondContact O-CA 3.47Å; F157-L164 HydrophobicContact CD1-CB 4.13Å; F157-L164 HydrophobicContact CD1-CD1 3.89Å; F157-L164 HydrophobicContact CD2-CD1 4.35Å; F157-L164 HydrophobicContact CE1-CB 3.89Å; F157-L164 HydrophobicContact CE1-CD1 3.65Å; F157-L164 HydrophobicContact CE1-CG 4.29Å; F157-L164 HydrophobicContact CE2-CD1 4.13Å; F157-L164 HydrophobicContact CG-CD1 4.24Å; F157-L164 HydrophobicContact CZ-CD1 3.78Å; L164-W176 HydrophobicContact CB-CB 4.24Å; L164-W176 PolarHBondContact N-O 3.11Å; L164-W176 PolarHBondContact O-N 2.96Å; L164-F178 HydrophobicContact CB-CD2 4.22Å; L164-F178 HydrophobicContact CD2-CD2 4.34Å
165A98.4Very high97.2Very high0 Ų026 Ų260%015%0.147CC..EExtended strand (participates in β ladder)trans-105.1140.7167.600000109.4I155 A156 K174 L175 V197 F199 L206I155-A165 CarbonylContact C-O 3.52Å; I155-A165 WeakPolarHBondContact CA-O 3.42Å; A156-A165 PolarHBondContact N-O 3.11Å; A156-A165 PolarHBondContact O-N 3.37Å; A165-K174 CarbonylContact C-O 3.53Å; A165-K174 WeakPolarHBondContact CA-O 3.49Å; A165-L175 HydrophobicContact CB-CD2 3.81Å; A165-V197 HydrophobicContact CB-CG1 4.4Å; A165-V197 HydrophobicContact CB-CG2 3.78Å; A165-F199 HydrophobicContact CB-CD2 4.46Å; A165-F199 HydrophobicContact CB-CE2 3.47Å; A165-F199 VanDerWaalsContact CB-CE2 3.47Å; A165-F199 HydrophobicContact CB-CZ 3.62Å; A165-L206 HydrophobicContact CB-CD1 3.65Å; A165-L206 HydrophobicContact CB-CD2 3.98Å; A165-L206 HydrophobicContact CB-CG 4.45Å
166S98.4Very high97.2Very high0 Ų026.2 Ų26.20%015%0.148CC..EExtended strand (participates in β ladder)trans-132.5147.5172.864.70000111H148 D154 I173 K174 W176H148-S166 PolarHBondContact CD2-OG 3.11Å; H148-S166 PolarHBondContact NE2-OG 3.18Å; D154-S166 WeakPolarHBondContact O-CA 3.42Å; S166-I173 CarbonylContact O-C 3.54Å; S166-I173 VanDerWaalsContact O-CA 3.26Å; S166-I173 WeakPolarHBondContact O-CA 3.41Å; S166-I173 WeakPolarHBondContact O-CG2 3.48Å; S166-K174 PolarHBondContact N-O 3.19Å; S166-K174 PolarHBondContact O-N 3.46Å; S166-W176 PolarHBondContact OG-NE1 2.94Å
167C98.3Very high97.1Very high0 Ų027.5 Ų27.50%015%0.153CC..EExtended strand (participates in β ladder)trans-128.9151.8175.672.10000111.6V152 Q153 D154 I173 V194 V197V152-C167 CarbonylContact C-O 3.49Å; V152-C167 WeakPolarHBondContact CA-O 3.31Å; V152-C167 WeakPolarHBondContact CG1-O 3.4Å; Q153-C167 PolarHBondContact N-O 3.36Å; D154-C167 PolarHBondContact O-N 3.12Å; C167-I173 HydrophobicContact CB-CG1 4.05Å; C167-V194 HydrophobicContact CB-CB 3.83Å; C167-V194 HydrophobicContact CB-CG1 3.51Å; C167-V194 PolarHBondContact SG-O 2.83Å; C167-V197 HydrophobicContact CB-CB 4.32Å
168S98.3Very high97Very high0 Ų026.6 Ų26.60%015%0.149CC..EExtended strand (participates in β ladder)trans-140.7165.7-169.9170.20000113.7H148 D150 C151 D170 M171 S172 V194H148-S168 WeakPolarHBondContact ND1-CB 3.24Å; D150-S168 VanDerWaalsContact C-OG 3.26Å; D150-S168 PolarHBondContact O-OG 3.36Å; C151-S168 CarbonylContact O-C 3.51Å; C151-S168 WeakPolarHBondContact O-CA 3.33Å; C151-S168 WeakPolarHBondContact O-CB 3.39Å; C151-S168 PolarHBondContact O-OG 2.74Å; C151-S168 VanDerWaalsContact O-OG 3.05Å; S168-D170 WeakPolarHBondContact CB-OD1 3.19Å; S168-D170 PolarHBondContact O-N 3.38Å; S168-D170 VanDerWaalsContact OG-CG 3.32Å; S168-D170 PolarHBondContact OG-N 2.84Å; S168-D170 VanDerWaalsContact OG-N 3.12Å; S168-D170 PolarHBondContact OG-OD1 3.41Å; S168-M171 PolarHBondContact O-N 3.17Å; S168-S172 PolarHBondContact N-O 3.29Å; S168-V194 PolarHBondContact O-N 2.87Å
169G97.8Very high96.8Very high10 Ų1033.6 Ų33.610%0.10318%0.181CC..THydrogen-bonded Turntrans-58.2-20.9164.900000114.4C151 M171 N193C151-G169 PolarHBondContact O-N 3.5Å; G169-M171 PolarHBondContact O-N 3.26Å; G169-N193 VanDerWaalsContact CA-CG 3.49Å; G169-N193 WeakPolarHBondContact CA-ND2 3.38Å
170D97.5Very high96.9Very high28 Ų2833.2 Ų33.215%0.1517%0.171CC..THydrogen-bonded Turntrans-72.17.9175.670.815.9000114.2H148 T149 D150 S168 S172H148-D170 WeakPolarHBondContact CA-OD2 3.24Å; H148-D170 WeakPolarHBondContact CB-OD2 3.42Å; H148-D170 IonicContact CE1-OD1 3.91Å; H148-D170 IonicContact CE1-OD2 3.95Å; H148-D170 IonicContact CG-OD2 3.52Å; H148-D170 IonicContact ND1-OD1 3.37Å; H148-D170 PolarHBondContact ND1-OD1 3.45Å; H148-D170 IonicContact ND1-OD2 2.81Å; H148-D170 PolarHBondContact ND1-OD2 2.89Å; T149-D170 PolarHBondContact N-OD2 3.13Å; T149-D170 VanDerWaalsContact N-OD2 3.09Å; T149-D170 VanDerWaalsContact OG1-CB 3.28Å; T149-D170 WeakPolarHBondContact OG1-CB 3.37Å; D150-D170 HydrophobicContact CB-CB 4Å; S168-D170 WeakPolarHBondContact CB-OD1 3.19Å; S168-D170 PolarHBondContact O-N 3.38Å; S168-D170 VanDerWaalsContact OG-CG 3.32Å; S168-D170 PolarHBondContact OG-N 2.84Å; S168-D170 VanDerWaalsContact OG-N 3.12Å; S168-D170 PolarHBondContact OG-OD1 3.41Å; D170-S172 VanDerWaalsContact CG-OG 3.26Å; D170-S172 PolarHBondContact O-N 2.56Å; D170-S172 WeakPolarHBondContact OD1-CA 3.42Å; D170-S172 VanDerWaalsContact OD1-CB 3.25Å; D170-S172 WeakPolarHBondContact OD1-CB 3.38Å; D170-S172 PolarHBondContact OD1-N 2.94Å; D170-S172 PolarHBondContact OD1-OG 3.05Å; D170-S172 PolarHBondContact OD2-OG 2.95Å
171M97.9Very high97Very high90 Ų9031.6 Ų31.644%0.44316%0.156SC..SBendtrans67.29.2178.5-47.5175.3-7600114S168 G169S168-M171 PolarHBondContact O-N 3.17Å; G169-M171 PolarHBondContact O-N 3.26Å
172S97.5Very high97.1Very high3 Ų337.9 Ų37.92%0.02119%0.185CC..EExtended strand (participates in β ladder)trans-107.9156.7179.380.20000112.5H148 S168 D170 L187H148-S172 PolarHBondContact CE1-OG 3.18Å; H148-S172 PolarHBondContact ND1-OG 2.96Å; S168-S172 PolarHBondContact N-O 3.29Å; D170-S172 VanDerWaalsContact CG-OG 3.26Å; D170-S172 PolarHBondContact O-N 2.56Å; D170-S172 WeakPolarHBondContact OD1-CA 3.42Å; D170-S172 VanDerWaalsContact OD1-CB 3.25Å; D170-S172 WeakPolarHBondContact OD1-CB 3.38Å; D170-S172 PolarHBondContact OD1-N 2.94Å; D170-S172 PolarHBondContact OD1-OG 3.05Å; D170-S172 PolarHBondContact OD2-OG 2.95Å; S172-L187 WeakPolarHBondContact CA-O 3.46Å
173I98.4Very high97.1Very high1 Ų134 Ų341%0.00517%0.174CC..EExtended strand (participates in β ladder)trans-118.4130.4168.5-58.1153.8000106.9S166 C167 T186 L187 V194 V197 L206 S208 W218S166-I173 CarbonylContact O-C 3.54Å; S166-I173 VanDerWaalsContact O-CA 3.26Å; S166-I173 WeakPolarHBondContact O-CA 3.41Å; S166-I173 WeakPolarHBondContact O-CG2 3.48Å; C167-I173 HydrophobicContact CB-CG1 4.05Å; I173-T186 CarbonylContact O-C 3.5Å; I173-T186 WeakPolarHBondContact O-CA 3.3Å; I173-L187 HydrophobicContact CB-CB 4.18Å; I173-L187 HydrophobicContact CB-CD1 4.28Å; I173-L187 HydrophobicContact CB-CG 4.47Å; I173-L187 HydrophobicContact CG2-CD1 4.17Å; I173-L187 PolarHBondContact N-O 3.42Å; I173-L187 VanDerWaalsContact N-O 3.09Å; I173-L187 PolarHBondContact O-N 3.12Å; I173-V194 HydrophobicContact CD1-CG1 4.18Å; I173-V194 HydrophobicContact CG1-CG1 3.93Å; I173-V194 HydrophobicContact CG1-CG2 4.41Å; I173-V197 HydrophobicContact CG2-CG2 4.35Å; I173-L206 HydrophobicContact CG2-CD2 3.62Å; I173-S208 VanDerWaalsContact CD1-OG 3.27Å; I173-S208 WeakPolarHBondContact CD1-OG 3.43Å; I173-W218 HydrophobicContact CD1-CZ2 3.99Å
174K98.3Very high97.1Very high25 Ų2536.8 Ų36.811%0.10919%0.188CC..EExtended strand (participates in β ladder)trans-111.5139178.2-70.4177.1-173.5-77.80110.5G147 A165 S166 W176 R185 T186G147-K174 WeakPolarHBondContact O-CE 3.31Å; A165-K174 CarbonylContact C-O 3.53Å; A165-K174 WeakPolarHBondContact CA-O 3.49Å; S166-K174 PolarHBondContact N-O 3.19Å; S166-K174 PolarHBondContact O-N 3.46Å; K174-W176 HydrophobicContact CB-CZ2 3.83Å; K174-W176 HydrophobicContact CD-CH2 4.17Å; K174-W176 HydrophobicContact CD-CZ2 3.64Å; K174-W176 HydrophobicContact CG-CZ2 4.37Å; K174-R185 WeakPolarHBondContact CA-O 3.19Å; K174-T186 HydrophobicContact CG-CG2 4.04Å; K174-T186 PolarHBondContact NZ-OG1 3.03Å
175L98Very high97Very high4 Ų441.5 Ų41.52%0.02121%0.206CC..EExtended strand (participates in β ladder)trans-105.5126.2171-67.9176.8000108.2A165 C183 I184 R185 F199 L206 I220A165-L175 HydrophobicContact CB-CD2 3.81Å; L175-C183 CarbonylContact O-C 3.56Å; L175-I184 PolarHBondContact O-N 3.18Å; L175-R185 HydrophobicContact CB-CB 4.34Å; L175-R185 HydrophobicContact CD1-CB 4.43Å; L175-R185 PolarHBondContact N-O 3.18Å; L175-R185 PolarHBondContact O-N 3Å; L175-F199 HydrophobicContact CD2-CE1 4.41Å; L175-F199 HydrophobicContact CD2-CZ 4.07Å; L175-L206 HydrophobicContact CD2-CD2 4.14Å; L175-I220 HydrophobicContact CD1-CG1 4.44Å; L175-I220 HydrophobicContact CD1-CG2 4.08Å
176W98.1Very high96.9Very high7 Ų743.6 Ų43.63%0.02722%0.219CC..EExtended strand (participates in β ladder)trans-115.4135.9-178.7-47.482.6000109.1I131 L145 L163 L164 S166 K174 F178 E182 C183I131-W176 HydrophobicContact CD1-CZ2 4.44Å; L145-W176 HydrophobicContact CB-CE3 4.23Å; L145-W176 HydrophobicContact CB-CH2 4.37Å; L145-W176 HydrophobicContact CB-CZ3 4.09Å; L145-W176 HydrophobicContact CD1-CD2 4.26Å; L145-W176 HydrophobicContact CD1-CE3 4.36Å; L145-W176 HydrophobicContact CD1-CG 4.34Å; L163-W176 WeakPolarHBondContact CA-O 3.17Å; L164-W176 HydrophobicContact CB-CB 4.24Å; L164-W176 PolarHBondContact N-O 3.11Å; L164-W176 PolarHBondContact O-N 2.96Å; S166-W176 PolarHBondContact OG-NE1 2.94Å; K174-W176 HydrophobicContact CB-CZ2 3.83Å; K174-W176 HydrophobicContact CD-CH2 4.17Å; K174-W176 HydrophobicContact CD-CZ2 3.64Å; K174-W176 HydrophobicContact CG-CZ2 4.37Å; W176-F178 PolarHBondContact O-N 2.62Å; W176-E182 CarbonylContact C-O 3.6Å; W176-E182 VanDerWaalsContact CA-O 3.29Å; W176-E182 WeakPolarHBondContact CA-O 3.25Å; W176-C183 HydrophobicContact CD2-CB 4.33Å; W176-C183 HydrophobicContact CE3-CB 3.71Å; W176-C183 HydrophobicContact CH2-CB 4.13Å; W176-C183 HydrophobicContact CZ3-CB 3.6Å
177D96.8Very high96.8Very high41 Ų4143.9 Ų43.922%0.21922%0.22CC..EExtended strand (participates in β ladder)trans-73.9117.6161.6-179.83.8000107.3Q179 T180 Y181 E182 I184D177-Q179 VanDerWaalsContact C-N 3.26Å; D177-Q179 PolarHBondContact O-N 2.79Å; D177-Q179 WeakPolarHBondContact OD1-CB 3.27Å; D177-Q179 PolarHBondContact OD1-N 2.72Å; D177-T180 VanDerWaalsContact CB-OG1 3.27Å; D177-T180 WeakPolarHBondContact CB-OG1 3.19Å; D177-T180 WeakPolarHBondContact OD2-CG2 3.18Å; D177-T180 PolarHBondContact OD2-OG1 3.03Å; D177-Y181 WeakPolarHBondContact O-CA 3.36Å; D177-Y181 PolarHBondContact O-N 2.76Å; D177-E182 PolarHBondContact N-O 2.82Å; D177-I184 HydrophobicContact CB-CD1 3.74Å; D177-I184 HydrophobicContact CB-CG1 3.84Å
178F95.3Very high96.7Very high8 Ų850.3 Ų50.34%0.03525%0.25CS..THydrogen-bonded Turntrans-76.4-16.1-178.2-160.5-109.7000112.7H116 L121 V133 F157 G161 K162 L164 W176 Y181H116-F178 AromaticContact CD2-CD1 3.53Å; H116-F178 AromaticContact CD2-CE1 3.36Å; H116-F178 WeakPolarHBondContact CD2-CE1 3.43Å; H116-F178 AromaticContact NE2-CD1 3.68Å; H116-F178 AromaticContact NE2-CE1 3.91Å; L121-F178 HydrophobicContact CD1-CE1 3.85Å; L121-F178 HydrophobicContact CD1-CZ 4.23Å; V133-F178 HydrophobicContact CG1-CE2 4.36Å; V133-F178 HydrophobicContact CG1-CZ 3.76Å; V133-F178 HydrophobicContact CG2-CE2 3.68Å; V133-F178 HydrophobicContact CG2-CZ 3.96Å; F157-F178 HydrophobicContact CE1-CB 4.38Å; F157-F178 HydrophobicContact CE1-CD1 4Å; F157-F178 AromaticContact CE1-CD2 3.54Å; F157-F178 HydrophobicContact CE1-CD2 3.54Å; F157-F178 HydrophobicContact CE1-CE1 4.13Å; F157-F178 AromaticContact CE1-CE2 3.67Å; F157-F178 HydrophobicContact CE1-CE2 3.67Å; F157-F178 AromaticContact CE1-CG 3.7Å; F157-F178 HydrophobicContact CE1-CG 3.7Å; F157-F178 AromaticContact CE1-CZ 3.97Å; F157-F178 HydrophobicContact CE1-CZ 3.97Å; F157-F178 HydrophobicContact CZ-CD1 4.48Å; F157-F178 AromaticContact CZ-CD2 3.97Å; F157-F178 HydrophobicContact CZ-CD2 3.97Å; F157-F178 HydrophobicContact CZ-CE1 4.15Å; F157-F178 AromaticContact CZ-CE2 3.58Å; F157-F178 HydrophobicContact CZ-CE2 3.58Å; F157-F178 HydrophobicContact CZ-CG 4.4Å; F157-F178 AromaticContact CZ-CZ 3.68Å; F157-F178 HydrophobicContact CZ-CZ 3.68Å; G161-F178 WeakPolarHBondContact O-CB 3.35Å; K162-F178 WeakPolarHBondContact O-CB 3.45Å; K162-F178 PolarHBondContact O-N 3.43Å; L164-F178 HydrophobicContact CB-CD2 4.22Å; L164-F178 HydrophobicContact CD2-CD2 4.34Å; W176-F178 PolarHBondContact O-N 2.62Å; F178-Y181 HydrophobicContact CD2-CD1 4.36Å; F178-Y181 AromaticContact CD2-CE1 3.96Å; F178-Y181 HydrophobicContact CD2-CE1 3.96Å; F178-Y181 HydrophobicContact CE1-CE1 4.48Å; F178-Y181 AromaticContact CE2-CE1 3.86Å; F178-Y181 HydrophobicContact CE2-CE1 3.86Å; F178-Y181 HydrophobicContact CG-CE1 4.35Å; F178-Y181 HydrophobicContact CZ-CE1 4.13Å; F178-Y181 VanDerWaalsContact O-CE1 3.27Å; F178-Y181 WeakPolarHBondContact O-CE1 3.45Å
179Q92.7Very high96.6Very high161 Ų16152 Ų5275%0.75227%0.268SS*.THydrogen-bonded Turntrans-80.9-40.8177.1-173.9173.5-5.700112.2D177D177-Q179 VanDerWaalsContact C-N 3.26Å; D177-Q179 PolarHBondContact O-N 2.79Å; D177-Q179 WeakPolarHBondContact OD1-CB 3.27Å; D177-Q179 PolarHBondContact OD1-N 2.72Å
180T94.4Very high96.6Very high72 Ų7252 Ų5244%0.44227%0.265SS..THydrogen-bonded Turntrans-97.4-13.1179.858.90000113D177 E182D177-T180 VanDerWaalsContact CB-OG1 3.27Å; D177-T180 WeakPolarHBondContact CB-OG1 3.19Å; D177-T180 WeakPolarHBondContact OD2-CG2 3.18Å; D177-T180 PolarHBondContact OD2-OG1 3.03Å; T180-E182 PolarHBondContact O-N 2.85Å
181Y94.8Very high96.5Very high43 Ų4357 Ų5717%0.16929%0.292CS..  trans62.619.5-174.5-61.8-60.7000114.3V133 E142 K143 L145 D177 F178V133-Y181 HydrophobicContact CG2-CE1 4.16Å; E142-Y181 PolarHBondContact OE1-OH 3.4Å; E142-Y181 PolarHBondContact OE2-OH 3.31Å; K143-Y181 HydrophobicContact CB-CD2 4.45Å; K143-Y181 HydrophobicContact CB-CE2 4.33Å; K143-Y181 HydrophobicContact CD-CD2 4.34Å; K143-Y181 HydrophobicContact CG-CD1 4.41Å; K143-Y181 HydrophobicContact CG-CD2 3.95Å; K143-Y181 HydrophobicContact CG-CE2 4.32Å; K143-Y181 HydrophobicContact CG-CG 3.98Å; L145-Y181 HydrophobicContact CD2-CD1 3.67Å; L145-Y181 HydrophobicContact CD2-CG 3.94Å; D177-Y181 WeakPolarHBondContact O-CA 3.36Å; D177-Y181 PolarHBondContact O-N 2.76Å; F178-Y181 HydrophobicContact CD2-CD1 4.36Å; F178-Y181 AromaticContact CD2-CE1 3.96Å; F178-Y181 HydrophobicContact CD2-CE1 3.96Å; F178-Y181 HydrophobicContact CE1-CE1 4.48Å; F178-Y181 AromaticContact CE2-CE1 3.86Å; F178-Y181 HydrophobicContact CE2-CE1 3.86Å; F178-Y181 HydrophobicContact CG-CE1 4.35Å; F178-Y181 HydrophobicContact CZ-CE1 4.13Å; F178-Y181 VanDerWaalsContact O-CE1 3.27Å; F178-Y181 WeakPolarHBondContact O-CE1 3.45Å
182E96.5Very high96.5Very high134 Ų13456.2 Ų56.263%0.62629%0.287SS*.  trans-92.6144.7-179.3-63.5-17216700111.8W176 D177 T180 I184W176-E182 CarbonylContact C-O 3.6Å; W176-E182 VanDerWaalsContact CA-O 3.29Å; W176-E182 WeakPolarHBondContact CA-O 3.25Å; D177-E182 PolarHBondContact N-O 2.82Å; T180-E182 PolarHBondContact O-N 2.85Å; E182-I184 PolarHBondContact O-N 3.33Å
183C96.6Very high96.5Very high53 Ų5357.2 Ų57.236%0.35829%0.292SS..EExtended strand (participates in β ladder)trans-75.7104.7171.9177.60000109.1L175 W176L175-C183 CarbonylContact O-C 3.56Å; W176-C183 HydrophobicContact CD2-CB 4.33Å; W176-C183 HydrophobicContact CE3-CB 3.71Å; W176-C183 HydrophobicContact CH2-CB 4.13Å; W176-C183 HydrophobicContact CZ3-CB 3.6Å
184I95.9Very high96.5Very high92 Ų9257.2 Ų57.247%0.47229%0.292SS..EExtended strand (participates in β ladder)trans-69.7-43178.3-55161.8000110.4L163 L175 D177 E182L163-I184 HydrophobicContact CD2-CD1 3.39Å; L175-I184 PolarHBondContact O-N 3.18Å; D177-I184 HydrophobicContact CB-CD1 3.74Å; D177-I184 HydrophobicContact CB-CG1 3.84Å; E182-I184 PolarHBondContact O-N 3.33Å
185R96Very high96.5Very high99 Ų9956.7 Ų56.737%0.37429%0.291SS..EExtended strand (participates in β ladder)trans-152.9146.9-170.9-158.9174.5-69.1-95.2-1.2112.1K174 L175 L187 S221 T222K174-R185 WeakPolarHBondContact CA-O 3.19Å; L175-R185 HydrophobicContact CB-CB 4.34Å; L175-R185 HydrophobicContact CD1-CB 4.43Å; L175-R185 PolarHBondContact N-O 3.18Å; L175-R185 PolarHBondContact O-N 3Å; R185-L187 HydrophobicContact CG-CD2 3.92Å; R185-S221 PolarHBondContact NH2-O 2.8Å; R185-T222 PolarHBondContact NH1-O 3.44Å; R185-T222 VanDerWaalsContact NH1-O 3.17Å
186T97.2Very high96.5Very high45 Ų4556.5 Ų56.528%0.27629%0.29SS..EExtended strand (participates in β ladder)trans-116.7126.7167.8-55.10000108.5I173 K174 H188I173-T186 CarbonylContact O-C 3.5Å; I173-T186 WeakPolarHBondContact O-CA 3.3Å; K174-T186 HydrophobicContact CG-CG2 4.04Å; K174-T186 PolarHBondContact NZ-OG1 3.03Å; T186-H188 WeakPolarHBondContact CG2-NE2 3.2Å
187L97.4Very high96.5Very high5 Ų556.1 Ų56.13%0.02629%0.289CS..EExtended strand (participates in β ladder)trans-102.2128.9-179.9-44177000108.7S172 I173 R185 L206 W218S172-L187 WeakPolarHBondContact CA-O 3.46Å; I173-L187 HydrophobicContact CB-CB 4.18Å; I173-L187 HydrophobicContact CB-CD1 4.28Å; I173-L187 HydrophobicContact CB-CG 4.47Å; I173-L187 HydrophobicContact CG2-CD1 4.17Å; I173-L187 PolarHBondContact N-O 3.42Å; I173-L187 VanDerWaalsContact N-O 3.09Å; I173-L187 PolarHBondContact O-N 3.12Å; R185-L187 HydrophobicContact CG-CD2 3.92Å; L187-L206 HydrophobicContact CD1-CD2 4.15Å; L187-W218 HydrophobicContact CB-CD2 4.42Å; L187-W218 HydrophobicContact CB-CE3 4.09Å; L187-W218 HydrophobicContact CB-CZ3 4.26Å; L187-W218 HydrophobicContact CD1-CB 3.89Å; L187-W218 HydrophobicContact CD1-CD2 4.13Å; L187-W218 HydrophobicContact CD1-CE3 4.37Å; L187-W218 HydrophobicContact CD1-CG 3.9Å
188H96.2Very high96.6Very high135 Ų13554.6 Ų54.663%0.62528%0.281SS*.EExtended strand (participates in β ladder)trans-120.7145.7178.1-64.9-73.6000110T186 W218T186-H188 WeakPolarHBondContact CG2-NE2 3.2Å; H188-W218 WeakPolarHBondContact O-CZ3 3.45Å
189G94.8Very high96.7Very high36 Ų3655.1 Ų55.137%0.37128%0.284SS..  trans147-0.1173.300000115.7K216G189-K216 WeakPolarHBondContact O-CE 3.44Å; G189-K216 PolarHBondContact O-NZ 2.93Å; G189-K216 VanDerWaalsContact O-NZ 3.15Å
190H97.3Very high96.9Very high9 Ų948.2 Ų48.24%0.04225%0.252CS..  trans-82.9146.1160.5-84.9-64.2000110V194 S208 S210 D212 W218H190-V194 HydrophobicContact CB-CG2 3.73Å; H190-S208 PolarHBondContact CD2-OG 2.97Å; H190-S208 PolarHBondContact NE2-OG 2.99Å; H190-S210 WeakPolarHBondContact ND1-CB 2.96Å; H190-D212 WeakPolarHBondContact CA-OD2 3.49Å; H190-D212 IonicContact CE1-OD2 3.89Å; H190-D212 IonicContact CG-OD2 3.97Å; H190-D212 IonicContact ND1-OD1 3.5Å; H190-D212 IonicContact ND1-OD2 3.24Å; H190-D212 PolarHBondContact ND1-OD2 3.27Å; H190-W218 AromaticContact CD2-CZ2 3.9Å
191D96.9Very high96.9Very high133 Ų13347.8 Ų47.871%0.71125%0.25SS*.SBendtrans-97.43.9-175.7-60.7-44.2000112.8D212D191-D212 HydrophobicContact CB-CB 4.19Å; D191-D212 PolarHBondContact N-OD2 3.17Å; D191-D212 VanDerWaalsContact N-OD2 3.09Å
192H97.7Very high96.8Very high75 Ų7549.3 Ų49.335%0.34727%0.267SS..SBendtrans-159168.2177-153.4-62.1000110.3V194 S210 R211 D212H192-V194 PolarHBondContact O-N 2.9Å; H192-S210 PolarHBondContact O-OG 3.46Å; H192-R211 HydrophobicContact CB-CB 4.05Å; H192-R211 WeakPolarHBondContact CE1-CD 3.25Å; H192-D212 HydrophobicContact CB-CB 4.13Å
193N97.6Very high96.6Very high24 Ų2443.9 Ų43.913%0.12825%0.247CC..  trans-28.1120170.6-175-38.6000113.7Q153 G169 S210 R211Q153-N193 WeakPolarHBondContact CG-OD1 3.1Å; G169-N193 VanDerWaalsContact CA-CG 3.49Å; G169-N193 WeakPolarHBondContact CA-ND2 3.38Å; N193-S210 WeakPolarHBondContact O-CA 3.25Å; N193-S210 PolarHBondContact O-OG 3.06Å; N193-R211 PolarHBondContact O-N 2.86Å
194V98.4Very high96.5Very high0 Ų045.8 Ų45.80%025%0.254CS..EExtended strand (participates in β ladder)trans-92118.5178.1-170.60000108.7Q153 C167 S168 I173 H190 H192 S209Q153-V194 WeakPolarHBondContact CG-O 3.27Å; C167-V194 HydrophobicContact CB-CB 3.83Å; C167-V194 HydrophobicContact CB-CG1 3.51Å; C167-V194 PolarHBondContact SG-O 2.83Å; S168-V194 PolarHBondContact O-N 2.87Å; I173-V194 HydrophobicContact CD1-CG1 4.18Å; I173-V194 HydrophobicContact CG1-CG1 3.93Å; I173-V194 HydrophobicContact CG1-CG2 4.41Å; H190-V194 HydrophobicContact CB-CG2 3.73Å; H192-V194 PolarHBondContact O-N 2.9Å; V194-S209 VanDerWaalsContact CG1-O 3.31Å; V194-S209 WeakPolarHBondContact CG1-O 3.49Å
195T97.8Very high96.5Very high14 Ų1444.1 Ų44.19%0.08624%0.243CC..EExtended strand (participates in β ladder)trans-101.4-23.4-169.245.70000115.8D154 S209 W235 V236 R237D154-T195 WeakPolarHBondContact CB-O 3.36Å; T195-S209 PolarHBondContact N-O 2.85Å; T195-S209 PolarHBondContact OG1-O 3.13Å; T195-S209 PolarHBondContact OG1-OG 2.73Å; T195-W235 HydrophobicContact CG2-CZ2 3.27Å; T195-V236 PolarHBondContact OG1-O 2.96Å; T195-R237 WeakPolarHBondContact CB-O 3.18Å; T195-R237 PolarHBondContact OG1-O 2.93Å
196S98.2Very high96.6Very high0 Ų039.4 Ų39.40%023%0.225CC..EExtended strand (participates in β ladder)trans-148147.8-177.5-168.20000111.5D154 S208 S209 V239 R240D154-S196 VanDerWaalsContact OD2-CA 3.26Å; D154-S196 WeakPolarHBondContact OD2-CA 3.5Å; D154-S196 WeakPolarHBondContact OD2-CB 3.34Å; D154-S196 PolarHBondContact OD2-OG 2.86Å; S196-S208 CarbonylContact O-C 3.55Å; S196-S208 WeakPolarHBondContact O-CA 3.4Å; S196-S209 VanDerWaalsContact CB-OG 3.28Å; S196-S209 WeakPolarHBondContact CB-OG 3.38Å; S196-S209 PolarHBondContact O-N 2.93Å; S196-V239 PolarHBondContact OG-N 3.25Å; S196-R240 PolarHBondContact OG-NH1 3.07Å
197V98.2Very high96.7Very high0 Ų037.2 Ų37.20%021%0.212CC..EExtended strand (participates in β ladder)trans-139.4143.1-179.466.90000109.8D154 A156 A165 C167 I173 L206 V207 R240D154-V197 HydrophobicContact CB-CG1 4.27Å; D154-V197 PolarHBondContact OD2-N 2.85Å; A156-V197 HydrophobicContact CB-CG1 4.13Å; A165-V197 HydrophobicContact CB-CG1 4.4Å; A165-V197 HydrophobicContact CB-CG2 3.78Å; C167-V197 HydrophobicContact CB-CB 4.32Å; I173-V197 HydrophobicContact CG2-CG2 4.35Å; V197-L206 HydrophobicContact CG2-CD1 3.59Å; V197-L206 HydrophobicContact CG2-CD2 3.61Å; V197-L206 HydrophobicContact CG2-CG 3.62Å; V197-V207 CarbonylContact C-O 3.51Å; V197-V207 WeakPolarHBondContact CA-O 3.37Å; V197-R240 PolarHBondContact O-NH1 2.95Å
198A98.2Very high96.7Very high8 Ų837 Ų377%0.06621%0.211CC..EExtended strand (participates in β ladder)trans-151.5138.7176.400000110.9V207 V241A198-V207 PolarHBondContact N-O 3.25Å; A198-V207 PolarHBondContact O-N 2.91Å; A198-V241 HydrophobicContact CB-CG2 4.26Å
199F98Very high96.8Very high19 Ų1930.6 Ų30.68%0.08318%0.181CC..EExtended strand (participates in β ladder)trans-78.9147.4170.5-74.2-89.9000110.9A156 F157 N158 L163 A165 L175 L206 I220A156-F199 HydrophobicContact CB-CD2 4.05Å; A156-F199 HydrophobicContact CB-CE2 4.37Å; A156-F199 VanDerWaalsContact O-CE2 3.31Å; A156-F199 WeakPolarHBondContact O-CE2 3.39Å; F157-F199 VanDerWaalsContact C-CD2 3.41Å; F157-F199 WeakPolarHBondContact O-CD2 3.34Å; N158-F199 HydrophobicContact CB-CD1 3.83Å; N158-F199 HydrophobicContact CB-CD2 4.13Å; N158-F199 HydrophobicContact CB-CE1 3.98Å; N158-F199 HydrophobicContact CB-CE2 4.27Å; N158-F199 HydrophobicContact CB-CG 3.9Å; N158-F199 HydrophobicContact CB-CZ 4.2Å; L163-F199 HydrophobicContact CB-CE1 4.42Å; L163-F199 HydrophobicContact CB-CZ 4.09Å; A165-F199 HydrophobicContact CB-CD2 4.46Å; A165-F199 HydrophobicContact CB-CE2 3.47Å; A165-F199 VanDerWaalsContact CB-CE2 3.47Å; A165-F199 HydrophobicContact CB-CZ 3.62Å; L175-F199 HydrophobicContact CD2-CE1 4.41Å; L175-F199 HydrophobicContact CD2-CZ 4.07Å; F199-L206 HydrophobicContact CD1-CD1 3.68Å; F199-L206 HydrophobicContact CD2-CD1 3.77Å; F199-L206 HydrophobicContact CE1-CD1 3.7Å; F199-L206 HydrophobicContact CE2-CD1 3.77Å; F199-L206 HydrophobicContact CG-CD1 3.73Å; F199-L206 HydrophobicContact CZ-CD1 3.75Å; F199-I220 HydrophobicContact CD1-CD1 3.57Å; F199-I220 HydrophobicContact CE1-CD1 3.46Å; F199-I220 VanDerWaalsContact CE1-CD1 3.46Å; F199-I220 HydrophobicContact CE1-CG1 4.4Å
200L96.8Very high97Very high16 Ų1628.9 Ų28.98%0.08416%0.164CC..  trans-72151.6161-87103.6000110.6S202 G203 F205 V207 M217 V241 I262L200-S202 PolarHBondContact O-N 3.07Å; L200-G203 PolarHBondContact O-N 3.11Å; L200-F205 HydrophobicContact CB-CB 4.3Å; L200-F205 HydrophobicContact CD1-CB 3.35Å; L200-F205 HydrophobicContact CD1-CG 4.44Å; L200-F205 HydrophobicContact CG-CB 4.29Å; L200-F205 PolarHBondContact N-O 3.09Å; L200-V207 HydrophobicContact CD1-CG2 3.53Å; L200-M217 HydrophobicContact CD1-CE 4.07Å; L200-M217 HydrophobicContact CD1-SD 4.49Å; L200-V241 HydrophobicContact CG-CG1 4.28Å; L200-V241 HydrophobicContact CG-CG2 4.36Å; L200-I262 HydrophobicContact CD2-CD1 4.03Å; L200-I262 HydrophobicContact CD2-CG2 3.92Å
201P94.6Very high97Very high63 Ų6334.1 Ų34.141%0.40918%0.183SC..THydrogen-bonded Turntrans-57.1-30.7178.4-27.835.5000114.6G203 V241 P243P201-G203 PolarHBondContact O-N 3.24Å; P201-V241 HydrophobicContact CG-CG1 4.49Å; P201-P243 WeakPolarHBondContact CG-O 3.23Å
202S92.5Very high97Very high75 Ų7529.1 Ų29.152%0.52416%0.157SC..THydrogen-bonded Turntrans-67.7-22.7176780000113L200 D204L200-S202 PolarHBondContact O-N 3.07Å; S202-D204 VanDerWaalsContact C-N 3.29Å; S202-D204 VanDerWaalsContact CB-OD2 3.27Å; S202-D204 WeakPolarHBondContact CB-OD2 3.45Å; S202-D204 PolarHBondContact O-N 3.46Å; S202-D204 PolarHBondContact OG-N 3.47Å; S202-D204 PolarHBondContact OG-OD2 3.36Å
203G92.1Very high97.1Very high20 Ų2029.6 Ų29.621%0.20616%0.157CC..SBendtrans80.50.7-178.300000115.1L200 P201 I220L200-G203 PolarHBondContact O-N 3.11Å; P201-G203 PolarHBondContact O-N 3.24Å; G203-I220 WeakPolarHBondContact O-CD1 3.09Å
204D94.4Very high97.1Very high94 Ų9429.7 Ų29.750%0.50316%0.159SC..SBendtrans-87-23.9-178.2-52-56.2000113.2S202 I220S202-D204 VanDerWaalsContact C-N 3.29Å; S202-D204 VanDerWaalsContact CB-OD2 3.27Å; S202-D204 WeakPolarHBondContact CB-OD2 3.45Å; S202-D204 PolarHBondContact O-N 3.46Å; S202-D204 PolarHBondContact OG-N 3.47Å; S202-D204 PolarHBondContact OG-OD2 3.36Å; D204-I220 WeakPolarHBondContact O-CB 3.47Å; D204-I220 PolarHBondContact O-N 3.05Å
205F97.1Very high97.1Very high56 Ų5629.7 Ų29.725%0.24616%0.159CC..EExtended strand (participates in β ladder)trans-127.6147.7-173.9-64.4-79.3000111.8L200 M217 W218 E219 V226L200-F205 HydrophobicContact CB-CB 4.3Å; L200-F205 HydrophobicContact CD1-CB 3.35Å; L200-F205 HydrophobicContact CD1-CG 4.44Å; L200-F205 HydrophobicContact CG-CB 4.29Å; L200-F205 PolarHBondContact N-O 3.09Å; F205-M217 HydrophobicContact CB-CG 4.17Å; F205-M217 HydrophobicContact CB-SD 4.47Å; F205-M217 HydrophobicContact CD1-CG 4.14Å; F205-M217 HydrophobicContact CD1-SD 4.23Å; F205-M217 HydrophobicContact CG-CG 4.42Å; F205-M217 HydrophobicContact CG-SD 4.36Å; F205-W218 CarbonylContact C-O 3.45Å; F205-W218 VanDerWaalsContact CA-O 3.24Å; F205-W218 WeakPolarHBondContact CA-O 3.27Å; F205-E219 HydrophobicContact CD1-CB 4.1Å; F205-E219 HydrophobicContact CE1-CB 3.88Å; F205-E219 HydrophobicContact CE1-CG 4.19Å; F205-V226 HydrophobicContact CE1-CG2 4.22Å
206L97.4Very high97.1Very high0 Ų030.3 Ų30.30%016%0.161CC..EExtended strand (participates in β ladder)trans-117.5142.2173.6-16876.3000108.9A165 I173 L175 L187 V197 F199 M217 W218 I220A165-L206 HydrophobicContact CB-CD1 3.65Å; A165-L206 HydrophobicContact CB-CD2 3.98Å; A165-L206 HydrophobicContact CB-CG 4.45Å; I173-L206 HydrophobicContact CG2-CD2 3.62Å; L175-L206 HydrophobicContact CD2-CD2 4.14Å; L187-L206 HydrophobicContact CD1-CD2 4.15Å; V197-L206 HydrophobicContact CG2-CD1 3.59Å; V197-L206 HydrophobicContact CG2-CD2 3.61Å; V197-L206 HydrophobicContact CG2-CG 3.62Å; F199-L206 HydrophobicContact CD1-CD1 3.68Å; F199-L206 HydrophobicContact CD2-CD1 3.77Å; F199-L206 HydrophobicContact CE1-CD1 3.7Å; F199-L206 HydrophobicContact CE2-CD1 3.77Å; F199-L206 HydrophobicContact CG-CD1 3.73Å; F199-L206 HydrophobicContact CZ-CD1 3.75Å; L206-M217 CarbonylContact O-C 3.55Å; L206-M217 VanDerWaalsContact O-CA 3.28Å; L206-M217 WeakPolarHBondContact O-CA 3.36Å; L206-W218 HydrophobicContact CB-CB 4.36Å; L206-W218 PolarHBondContact N-O 3.35Å; L206-W218 PolarHBondContact O-N 3.22Å; L206-I220 HydrophobicContact CB-CD1 4.43Å; L206-I220 HydrophobicContact CB-CG1 4.26Å
207V98.1Very high97.1Very high0 Ų030.5 Ų30.50%016%0.162CC..EExtended strand (participates in β ladder)trans-117.4140.2173-164.50000109.3V197 A198 L200 I215 K216 M217 V239 V241 L248V197-V207 CarbonylContact C-O 3.51Å; V197-V207 WeakPolarHBondContact CA-O 3.37Å; A198-V207 PolarHBondContact N-O 3.25Å; A198-V207 PolarHBondContact O-N 2.91Å; L200-V207 HydrophobicContact CD1-CG2 3.53Å; V207-I215 HydrophobicContact CG1-CG2 3.38Å; V207-K216 CarbonylContact C-O 3.53Å; V207-K216 VanDerWaalsContact CA-O 3.31Å; V207-K216 WeakPolarHBondContact CA-O 3.49Å; V207-K216 WeakPolarHBondContact CG1-O 3.24Å; V207-M217 HydrophobicContact CG2-CE 4.19Å; V207-M217 HydrophobicContact CG2-CG 4.38Å; V207-V239 HydrophobicContact CG1-CG2 4.07Å; V207-V241 HydrophobicContact CG2-CG2 4.27Å; V207-L248 HydrophobicContact CB-CD1 4.09Å; V207-L248 HydrophobicContact CG1-CD1 3.83Å; V207-L248 HydrophobicContact CG1-CD2 3.87Å; V207-L248 HydrophobicContact CG1-CG 4.49Å; V207-L248 HydrophobicContact CG2-CD1 3.97Å
208S98.3Very high97.1Very high0 Ų030.7 Ų30.70%016%0.162CC..EExtended strand (participates in β ladder)trans-132.9150.9176.759.70000111.9I173 H190 S196 I215 K216 W218I173-S208 VanDerWaalsContact CD1-OG 3.27Å; I173-S208 WeakPolarHBondContact CD1-OG 3.43Å; H190-S208 PolarHBondContact CD2-OG 2.97Å; H190-S208 PolarHBondContact NE2-OG 2.99Å; S196-S208 CarbonylContact O-C 3.55Å; S196-S208 WeakPolarHBondContact O-CA 3.4Å; S208-I215 CarbonylContact O-C 3.6Å; S208-I215 WeakPolarHBondContact O-CA 3.26Å; S208-I215 VanDerWaalsContact O-CG2 3.22Å; S208-I215 WeakPolarHBondContact O-CG2 3.32Å; S208-K216 PolarHBondContact N-O 2.87Å; S208-K216 PolarHBondContact O-N 3.08Å; S208-W218 PolarHBondContact OG-NE1 3.39Å
209S98.1Very high97Very high0 Ų033.2 Ų33.20%017%0.173CC..EExtended strand (participates in β ladder)trans-119.5150.117266.90000111.4V194 T195 S196 V236V194-S209 VanDerWaalsContact CG1-O 3.31Å; V194-S209 WeakPolarHBondContact CG1-O 3.49Å; T195-S209 PolarHBondContact N-O 2.85Å; T195-S209 PolarHBondContact OG1-O 3.13Å; T195-S209 PolarHBondContact OG1-OG 2.73Å; S196-S209 VanDerWaalsContact CB-OG 3.28Å; S196-S209 WeakPolarHBondContact CB-OG 3.38Å; S196-S209 PolarHBondContact O-N 2.93Å; S209-V236 VanDerWaalsContact CB-CG1 3.5Å
210S98.3Very high96.9Very high0 Ų033.5 Ų33.50%018%0.175CC..EExtended strand (participates in β ladder)trans-138.6163.5-177.1170.30000113H190 H192 N193 D212 K213 T214 V236H190-S210 WeakPolarHBondContact ND1-CB 2.96Å; H192-S210 PolarHBondContact O-OG 3.46Å; N193-S210 WeakPolarHBondContact O-CA 3.25Å; N193-S210 PolarHBondContact O-OG 3.06Å; S210-D212 VanDerWaalsContact CB-OD1 3.32Å; S210-D212 WeakPolarHBondContact CB-OD1 3.41Å; S210-D212 PolarHBondContact O-N 3.44Å; S210-D212 VanDerWaalsContact OG-CG 3.29Å; S210-D212 PolarHBondContact OG-N 2.93Å; S210-D212 PolarHBondContact OG-OD1 2.85Å; S210-K213 PolarHBondContact O-N 2.78Å; S210-T214 PolarHBondContact N-O 3.13Å; S210-V236 PolarHBondContact O-N 3.4Å
211R98.3Very high96.8Very high119 Ų11936.6 Ų36.645%0.44920%0.198SC..THydrogen-bonded Turntrans-63.5-15166.2-176.8161.1172.3-168.1-0.4113.5H192 N193 K213 W235H192-R211 HydrophobicContact CB-CB 4.05Å; H192-R211 WeakPolarHBondContact CE1-CD 3.25Å; N193-R211 PolarHBondContact O-N 2.86Å; R211-K213 PolarHBondContact O-N 3.17Å; R211-W235 HydrophobicContact CB-CB 4.48Å; R211-W235 HydrophobicContact CB-CD2 3.92Å; R211-W235 HydrophobicContact CB-CG 3.8Å; R211-W235 HydrophobicContact CB-CZ2 4.47Å; R211-W235 HydrophobicContact CG-CB 4.17Å; R211-W235 HydrophobicContact CG-CD2 3.86Å; R211-W235 HydrophobicContact CG-CE3 4.2Å; R211-W235 HydrophobicContact CG-CG 3.85Å
212D97.7Very high96.8Very high29 Ų2936 Ų3616%0.15519%0.193CC..THydrogen-bonded Turntrans-68.74.7170.172.613.7000114.1H190 D191 H192 S210 T214H190-D212 WeakPolarHBondContact CA-OD2 3.49Å; H190-D212 IonicContact CE1-OD2 3.89Å; H190-D212 IonicContact CG-OD2 3.97Å; H190-D212 IonicContact ND1-OD1 3.5Å; H190-D212 IonicContact ND1-OD2 3.24Å; H190-D212 PolarHBondContact ND1-OD2 3.27Å; D191-D212 HydrophobicContact CB-CB 4.19Å; D191-D212 PolarHBondContact N-OD2 3.17Å; D191-D212 VanDerWaalsContact N-OD2 3.09Å; H192-D212 HydrophobicContact CB-CB 4.13Å; S210-D212 VanDerWaalsContact CB-OD1 3.32Å; S210-D212 WeakPolarHBondContact CB-OD1 3.41Å; S210-D212 PolarHBondContact O-N 3.44Å; S210-D212 VanDerWaalsContact OG-CG 3.29Å; S210-D212 PolarHBondContact OG-N 2.93Å; S210-D212 PolarHBondContact OG-OD1 2.85Å; D212-T214 VanDerWaalsContact CG-OG1 3.26Å; D212-T214 PolarHBondContact O-N 3.4Å; D212-T214 WeakPolarHBondContact OD1-CA 3.33Å; D212-T214 WeakPolarHBondContact OD1-CB 3.05Å; D212-T214 PolarHBondContact OD1-N 3.11Å; D212-T214 PolarHBondContact OD1-OG1 3.19Å; D212-T214 PolarHBondContact OD2-OG1 3.37Å
213K98.2Very high96.9Very high84 Ų8433 Ų3337%0.36517%0.174SC..SBendtrans73.64.1176.9-44.6172.8176.9-149.70113.4S210 R211 R233 E234S210-K213 PolarHBondContact O-N 2.78Å; R211-K213 PolarHBondContact O-N 3.17Å; K213-R233 VanDerWaalsContact CD-O 3.3Å; K213-R233 WeakPolarHBondContact CD-O 3.44Å; K213-R233 WeakPolarHBondContact CE-O 3.18Å; K213-R233 PolarHBondContact NZ-O 2.9Å; K213-E234 IonicContact NZ-OE1 2.73Å; K213-E234 PolarHBondContact NZ-OE1 3.39Å; K213-E234 VanDerWaalsContact NZ-OE1 3.09Å; K213-E234 IonicContact NZ-OE2 3.83Å
214T97.7Very high97.1Very high26 Ų2640.2 Ų40.216%0.1620%0.196CC..EExtended strand (participates in β ladder)trans-109.4161.6-179.4770000111.9S210 D212 T228S210-T214 PolarHBondContact N-O 3.13Å; D212-T214 VanDerWaalsContact CG-OG1 3.26Å; D212-T214 PolarHBondContact O-N 3.4Å; D212-T214 WeakPolarHBondContact OD1-CA 3.33Å; D212-T214 WeakPolarHBondContact OD1-CB 3.05Å; D212-T214 PolarHBondContact OD1-N 3.11Å; D212-T214 PolarHBondContact OD1-OG1 3.19Å; D212-T214 PolarHBondContact OD2-OG1 3.37Å; T214-T228 HydrophobicContact CG2-CG2 4.26Å
215I98.3Very high97.1Very high1 Ų138.1 Ų38.11%0.00519%0.189CC..EExtended strand (participates in β ladder)trans-121133.6168.6-58.7163.5000106.6V207 S208 T228 F229 V236 V239 L248 S250 W260V207-I215 HydrophobicContact CG1-CG2 3.38Å; S208-I215 CarbonylContact O-C 3.6Å; S208-I215 WeakPolarHBondContact O-CA 3.26Å; S208-I215 VanDerWaalsContact O-CG2 3.22Å; S208-I215 WeakPolarHBondContact O-CG2 3.32Å; I215-T228 CarbonylContact O-C 3.48Å; I215-T228 WeakPolarHBondContact O-CA 3.42Å; I215-F229 HydrophobicContact CB-CB 4.17Å; I215-F229 HydrophobicContact CB-CD2 4.25Å; I215-F229 HydrophobicContact CG2-CD2 4.05Å; I215-F229 PolarHBondContact N-O 3.33Å; I215-F229 PolarHBondContact O-N 2.59Å; I215-V236 HydrophobicContact CD1-CG1 4.2Å; I215-V236 HydrophobicContact CG1-CG1 4.02Å; I215-V236 HydrophobicContact CG1-CG2 4.38Å; I215-V239 HydrophobicContact CG2-CG2 4.15Å; I215-L248 HydrophobicContact CD1-CD2 4.38Å; I215-L248 HydrophobicContact CG2-CD2 3.77Å; I215-S250 WeakPolarHBondContact CD1-OG 3.5Å; I215-W260 HydrophobicContact CD1-CZ2 4.49Å
216K98.2Very high97.1Very high27 Ų2738.4 Ų38.412%0.11719%0.194CC..EExtended strand (participates in β ladder)trans-119.1145.4-179.9-68.8176.8-170.2-91.40110.5G189 V207 S208 W218 R227 T228G189-K216 WeakPolarHBondContact O-CE 3.44Å; G189-K216 PolarHBondContact O-NZ 2.93Å; G189-K216 VanDerWaalsContact O-NZ 3.15Å; V207-K216 CarbonylContact C-O 3.53Å; V207-K216 VanDerWaalsContact CA-O 3.31Å; V207-K216 WeakPolarHBondContact CA-O 3.49Å; V207-K216 WeakPolarHBondContact CG1-O 3.24Å; S208-K216 PolarHBondContact N-O 2.87Å; S208-K216 PolarHBondContact O-N 3.08Å; K216-W218 HydrophobicContact CB-CZ2 3.64Å; K216-W218 HydrophobicContact CD-CH2 3.99Å; K216-W218 HydrophobicContact CD-CZ2 3.62Å; K216-W218 HydrophobicContact CG-CZ2 4.26Å; K216-R227 CarbonylContact C-O 3.56Å; K216-R227 WeakPolarHBondContact CA-O 3.39Å; K216-T228 HydrophobicContact CG-CG2 4.25Å
217M98Very high97Very high4 Ų441.5 Ų41.52%0.0221%0.206CC..EExtended strand (participates in β ladder)trans-114.6129173.3-177.7-175.2-70.600109.1L200 F205 L206 V207 C225 V226 R227 F229 I262L200-M217 HydrophobicContact CD1-CE 4.07Å; L200-M217 HydrophobicContact CD1-SD 4.49Å; F205-M217 HydrophobicContact CB-CG 4.17Å; F205-M217 HydrophobicContact CB-SD 4.47Å; F205-M217 HydrophobicContact CD1-CG 4.14Å; F205-M217 HydrophobicContact CD1-SD 4.23Å; F205-M217 HydrophobicContact CG-CG 4.42Å; F205-M217 HydrophobicContact CG-SD 4.36Å; L206-M217 CarbonylContact O-C 3.55Å; L206-M217 VanDerWaalsContact O-CA 3.28Å; L206-M217 WeakPolarHBondContact O-CA 3.36Å; V207-M217 HydrophobicContact CG2-CE 4.19Å; V207-M217 HydrophobicContact CG2-CG 4.38Å; M217-C225 CarbonylContact O-C 3.56Å; M217-C225 WeakPolarHBondContact O-CA 3.28Å; M217-V226 PolarHBondContact O-N 2.74Å; M217-R227 HydrophobicContact CB-CB 3.98Å; M217-R227 HydrophobicContact CB-CG 4.33Å; M217-R227 PolarHBondContact N-O 2.84Å; M217-R227 PolarHBondContact O-N 2.85Å; M217-R227 HydrophobicContact SD-CG 3.98Å; M217-F229 HydrophobicContact CB-CE2 4.09Å; M217-F229 HydrophobicContact CE-CE2 4Å; M217-F229 HydrophobicContact CE-CZ 3.73Å; M217-I262 HydrophobicContact CE-CB 4.48Å; M217-I262 HydrophobicContact CE-CG1 4.49Å; M217-I262 HydrophobicContact CE-CG2 3.61Å
218W98.1Very high96.9Very high4 Ų444.1 Ų44.12%0.01522%0.222CC..EExtended strand (participates in β ladder)trans-116.7135-173.4-46.485.6000109I173 L187 H188 H190 F205 L206 S208 K216 Y224 C225I173-W218 HydrophobicContact CD1-CZ2 3.99Å; L187-W218 HydrophobicContact CB-CD2 4.42Å; L187-W218 HydrophobicContact CB-CE3 4.09Å; L187-W218 HydrophobicContact CB-CZ3 4.26Å; L187-W218 HydrophobicContact CD1-CB 3.89Å; L187-W218 HydrophobicContact CD1-CD2 4.13Å; L187-W218 HydrophobicContact CD1-CE3 4.37Å; L187-W218 HydrophobicContact CD1-CG 3.9Å; H188-W218 WeakPolarHBondContact O-CZ3 3.45Å; H190-W218 AromaticContact CD2-CZ2 3.9Å; F205-W218 CarbonylContact C-O 3.45Å; F205-W218 VanDerWaalsContact CA-O 3.24Å; F205-W218 WeakPolarHBondContact CA-O 3.27Å; L206-W218 HydrophobicContact CB-CB 4.36Å; L206-W218 PolarHBondContact N-O 3.35Å; L206-W218 PolarHBondContact O-N 3.22Å; S208-W218 PolarHBondContact OG-NE1 3.39Å; K216-W218 HydrophobicContact CB-CZ2 3.64Å; K216-W218 HydrophobicContact CD-CH2 3.99Å; K216-W218 HydrophobicContact CD-CZ2 3.62Å; K216-W218 HydrophobicContact CG-CZ2 4.26Å; W218-Y224 WeakPolarHBondContact CA-O 3.49Å; W218-C225 HydrophobicContact CD2-CB 4.29Å; W218-C225 HydrophobicContact CE3-CB 3.68Å; W218-C225 HydrophobicContact CH2-CB 4.03Å; W218-C225 HydrophobicContact CZ3-CB 3.54Å
219E97.1Very high96.9Very high61 Ų6144.3 Ų44.329%0.28522%0.223SC..EExtended strand (participates in β ladder)trans-81.4128167.9179.3178.2-138.900109F205 S221 T222 G223 Y224 V226F205-E219 HydrophobicContact CD1-CB 4.1Å; F205-E219 HydrophobicContact CE1-CB 3.88Å; F205-E219 HydrophobicContact CE1-CG 4.19Å; E219-S221 WeakPolarHBondContact CG-OG 3.5Å; E219-T222 HydrophobicContact CG-CG2 4.46Å; E219-T222 WeakPolarHBondContact OE2-CB 3.35Å; E219-T222 WeakPolarHBondContact OE2-CG2 3.19Å; E219-T222 PolarHBondContact OE2-OG1 3.18Å; E219-G223 WeakPolarHBondContact O-CA 3.37Å; E219-G223 PolarHBondContact O-N 2.89Å; E219-Y224 PolarHBondContact N-O 3.28Å; E219-V226 HydrophobicContact CB-CG2 3.69Å
220I95.7Very high96.8Very high24 Ų2447.8 Ų47.812%0.12325%0.252CS..THydrogen-bonded Turntrans-71.8-37.3-171.6-72.5161.6000111.8L163 L175 F199 G203 D204 L206L163-I220 HydrophobicContact CD1-CG2 4.11Å; L175-I220 HydrophobicContact CD1-CG1 4.44Å; L175-I220 HydrophobicContact CD1-CG2 4.08Å; F199-I220 HydrophobicContact CD1-CD1 3.57Å; F199-I220 HydrophobicContact CE1-CD1 3.46Å; F199-I220 VanDerWaalsContact CE1-CD1 3.46Å; F199-I220 HydrophobicContact CE1-CG1 4.4Å; G203-I220 WeakPolarHBondContact O-CD1 3.09Å; D204-I220 WeakPolarHBondContact O-CB 3.47Å; D204-I220 PolarHBondContact O-N 3.05Å; L206-I220 HydrophobicContact CB-CD1 4.43Å; L206-I220 HydrophobicContact CB-CG1 4.26Å
221S94.7Very high96.6Very high81 Ų8149.2 Ų49.257%0.56627%0.267SS*.THydrogen-bonded Turntrans-65.1-43.4-178.757.50000112.1R185 E219R185-S221 PolarHBondContact NH2-O 2.8Å; E219-S221 WeakPolarHBondContact CG-OG 3.5Å
222T94.5Very high96.6Very high50 Ų5044.1 Ų44.131%0.30725%0.248SC..THydrogen-bonded Turntrans-95.6-30.4-175.965.10000113R185 E219 Y224R185-T222 PolarHBondContact NH1-O 3.44Å; R185-T222 VanDerWaalsContact NH1-O 3.17Å; E219-T222 HydrophobicContact CG-CG2 4.46Å; E219-T222 WeakPolarHBondContact OE2-CB 3.35Å; E219-T222 WeakPolarHBondContact OE2-CG2 3.19Å; E219-T222 PolarHBondContact OE2-OG1 3.18Å; T222-Y224 VanDerWaalsContact C-N 3.31Å; T222-Y224 HydrophobicContact CG2-CD2 4.46Å; T222-Y224 PolarHBondContact OG1-N 3.28Å
223G93.9Very high96.6Very high13 Ų1350.6 Ų50.613%0.13427%0.27CS..  trans79.78-173.200000114.5E219E219-G223 WeakPolarHBondContact O-CA 3.37Å; E219-G223 PolarHBondContact O-N 2.89Å
224Y96Very high96.6Very high172 Ų17251 Ų5168%0.67527%0.273SS*.  trans-85.9145.8-179.6-66.2-57.4000112.3W218 E219 T222 V226W218-Y224 WeakPolarHBondContact CA-O 3.49Å; E219-Y224 PolarHBondContact N-O 3.28Å; T222-Y224 VanDerWaalsContact C-N 3.31Å; T222-Y224 HydrophobicContact CG2-CD2 4.46Å; T222-Y224 PolarHBondContact OG1-N 3.28Å; Y224-V226 PolarHBondContact O-N 3.49Å
225C96.3Very high96.6Very high50 Ų5051.5 Ų51.534%0.33827%0.272SS..EExtended strand (participates in β ladder)trans-72.8107.7168.21740000109.4M217 W218 R227M217-C225 CarbonylContact O-C 3.56Å; M217-C225 WeakPolarHBondContact O-CA 3.28Å; W218-C225 HydrophobicContact CD2-CB 4.29Å; W218-C225 HydrophobicContact CE3-CB 3.68Å; W218-C225 HydrophobicContact CH2-CB 4.03Å; W218-C225 HydrophobicContact CZ3-CB 3.54Å; C225-R227 PolarHBondContact SG-O 3.48Å; C225-R227 VanDerWaalsContact SG-O 3.36Å
226V95.7Very high96.6Very high61 Ų6151.5 Ų51.537%0.3727%0.272SS..EExtended strand (participates in β ladder)trans-85.4-33.7-179-1760000111.6F205 M217 E219 Y224 R265F205-V226 HydrophobicContact CE1-CG2 4.22Å; M217-V226 PolarHBondContact O-N 2.74Å; E219-V226 HydrophobicContact CB-CG2 3.69Å; Y224-V226 PolarHBondContact O-N 3.49Å; V226-R265 PolarHBondContact O-NH2 3.14Å; V226-R265 VanDerWaalsContact O-NH2 3.13Å
227R96Very high96.6Very high65 Ų6552 Ų5225%0.24527%0.273CS..EExtended strand (participates in β ladder)trans-139.5144.4-177-41.7-167.2161.2-137.5-2.6111.1K216 M217 C225 F229 I262 A263K216-R227 CarbonylContact C-O 3.56Å; K216-R227 WeakPolarHBondContact CA-O 3.39Å; M217-R227 HydrophobicContact CB-CB 3.98Å; M217-R227 HydrophobicContact CB-CG 4.33Å; M217-R227 PolarHBondContact N-O 2.84Å; M217-R227 PolarHBondContact O-N 2.85Å; M217-R227 HydrophobicContact SD-CG 3.98Å; C225-R227 PolarHBondContact SG-O 3.48Å; C225-R227 VanDerWaalsContact SG-O 3.36Å; R227-F229 HydrophobicContact CB-CE2 4.08Å; R227-F229 HydrophobicContact CB-CZ 4.31Å; R227-I262 PolarHBondContact NH1-O 3.39Å; R227-A263 VanDerWaalsContact NH1-C 3.33Å; R227-A263 PolarHBondContact NH1-O 2.51Å; R227-A263 PolarHBondContact NH2-O 3.16Å
228T96.7Very high96.6Very high56 Ų5652.8 Ų52.834%0.34428%0.277SS..EExtended strand (participates in β ladder)trans-124.4127.5167.5-60.70000107.7T214 I215 K216T214-T228 HydrophobicContact CG2-CG2 4.26Å; I215-T228 CarbonylContact O-C 3.48Å; I215-T228 WeakPolarHBondContact O-CA 3.42Å; K216-T228 HydrophobicContact CG-CG2 4.25Å
229F97.4Very high96.6Very high4 Ų452.6 Ų52.62%0.01828%0.277CS..EExtended strand (participates in β ladder)trans-103.4120.4174.4-48.3-104.9000107.6I215 M217 R227 W260 R265I215-F229 HydrophobicContact CB-CB 4.17Å; I215-F229 HydrophobicContact CB-CD2 4.25Å; I215-F229 HydrophobicContact CG2-CD2 4.05Å; I215-F229 PolarHBondContact N-O 3.33Å; I215-F229 PolarHBondContact O-N 2.59Å; M217-F229 HydrophobicContact CB-CE2 4.09Å; M217-F229 HydrophobicContact CE-CE2 4Å; M217-F229 HydrophobicContact CE-CZ 3.73Å; R227-F229 HydrophobicContact CB-CE2 4.08Å; R227-F229 HydrophobicContact CB-CZ 4.31Å; F229-W260 HydrophobicContact CB-CD2 4.36Å; F229-W260 HydrophobicContact CB-CE3 4.29Å; F229-W260 HydrophobicContact CB-CZ3 4.46Å; F229-W260 HydrophobicContact CD1-CB 4.13Å; F229-W260 HydrophobicContact CD1-CD2 4.4Å; F229-W260 HydrophobicContact CD1-CE3 4.32Å; F229-W260 HydrophobicContact CD1-CG 4.33Å; F229-W260 HydrophobicContact CE1-CB 4.35Å; F229-R265 HydrophobicContact CD1-CB 3.9Å; F229-R265 HydrophobicContact CD1-CG 4.32Å; F229-R265 HydrophobicContact CE1-CB 3.87Å; F229-R265 HydrophobicContact CE1-CG 3.92Å; F229-R265 HydrophobicContact CZ-CG 4.44Å
230A96Very high96.7Very high73 Ų7350.9 Ų50.960%0.60327%0.267SS*.EExtended strand (participates in β ladder)trans-120.4141.3179.900000109.4
231G94.5Very high96.8Very high30 Ų3050.7 Ų50.731%0.30927%0.268SS..  trans158.6-2017300000114.9R258G231-R258 VanDerWaalsContact C-CZ 3.5Å; G231-R258 VanDerWaalsContact CA-NH1 3.3Å; G231-R258 PolarHBondContact O-NH1 3.36Å; G231-R258 PolarHBondContact O-NH2 3.04Å
232H97.5Very high96.8Very high11 Ų1147 Ų475%0.05124%0.241CC..  trans-62.2144.8163.9-83.5-64.1000110.4V236 S250 S252 D254 T256H232-V236 HydrophobicContact CB-CG2 3.73Å; H232-S250 PolarHBondContact CD2-OG 2.71Å; H232-S250 PolarHBondContact NE2-OG 2.87Å; H232-S252 VanDerWaalsContact ND1-CB 3.25Å; H232-S252 WeakPolarHBondContact ND1-CB 3.22Å; H232-D254 WeakPolarHBondContact CA-OD2 3.43Å; H232-D254 IonicContact CE1-OD1 3.69Å; H232-D254 IonicContact CG-OD2 2.6Å; H232-D254 IonicContact ND1-OD1 3.52Å; H232-D254 PolarHBondContact ND1-OD1 3.12Å; H232-D254 IonicContact ND1-OD2 3.83Å; H232-D254 PolarHBondContact ND1-OD2 3.41Å; H232-T256 PolarHBondContact CE1-OG1 3.05Å; H232-T256 PolarHBondContact ND1-OG1 2.94Å
233R97.3Very high96.7Very high166 Ų16648.7 Ų48.763%0.62625%0.253SS*.SBendtrans-92.9-20.7-176.6-63.7-179.6-179.5-176.7-2.2112.6K213 D254K213-R233 VanDerWaalsContact CD-O 3.3Å; K213-R233 WeakPolarHBondContact CD-O 3.44Å; K213-R233 WeakPolarHBondContact CE-O 3.18Å; K213-R233 PolarHBondContact NZ-O 2.9Å; R233-D254 HydrophobicContact CB-CB 4.13Å; R233-D254 PolarHBondContact N-OD2 3.42Å
234E98.2Very high96.6Very high91 Ų9152.9 Ų52.943%0.42527%0.273SS..SBendtrans-138.1-179.1-178.6-73.2-57.7136.900110.9K213 V236 S252 N253 D254K213-E234 IonicContact NZ-OE1 2.73Å; K213-E234 PolarHBondContact NZ-OE1 3.39Å; K213-E234 VanDerWaalsContact NZ-OE1 3.09Å; K213-E234 IonicContact NZ-OE2 3.83Å; E234-V236 PolarHBondContact O-N 2.9Å; E234-V236 VanDerWaalsContact O-N 3.15Å; E234-S252 PolarHBondContact O-OG 3.21Å; E234-N253 HydrophobicContact CB-CB 3.81Å; E234-D254 HydrophobicContact CB-CB 4.11Å; E234-D254 HydrophobicContact CG-CB 4.5Å
235W98.1Very high96.5Very high38 Ų3845.5 Ų45.514%0.14425%0.249CC..  trans-44.5116.4-179.3-176.2-1.3000113.1T195 R211 R237 S252 N253T195-W235 HydrophobicContact CG2-CZ2 3.27Å; R211-W235 HydrophobicContact CB-CB 4.48Å; R211-W235 HydrophobicContact CB-CD2 3.92Å; R211-W235 HydrophobicContact CB-CG 3.8Å; R211-W235 HydrophobicContact CB-CZ2 4.47Å; R211-W235 HydrophobicContact CG-CB 4.17Å; R211-W235 HydrophobicContact CG-CD2 3.86Å; R211-W235 HydrophobicContact CG-CE3 4.2Å; R211-W235 HydrophobicContact CG-CG 3.85Å; W235-R237 VanDerWaalsContact CE3-CZ 3.46Å; W235-R237 PolarHBondContact O-N 3.15Å; W235-S252 CarbonylContact O-C 3.55Å; W235-S252 VanDerWaalsContact O-CA 3.26Å; W235-S252 WeakPolarHBondContact O-CA 3.21Å; W235-S252 WeakPolarHBondContact O-CB 3.37Å; W235-S252 PolarHBondContact O-OG 2.96Å; W235-N253 HydrophobicContact CB-CB 4.29Å; W235-N253 PolarHBondContact O-N 2.76Å
236V98.6Very high96.4Very high0 Ų046 Ų460%025%0.251CS..EExtended strand (participates in β ladder)trans-75.6113.4171.2-169.10000109.5T195 S209 S210 I215 H232 E234 C251T195-V236 PolarHBondContact OG1-O 2.96Å; S209-V236 VanDerWaalsContact CB-CG1 3.5Å; S210-V236 PolarHBondContact O-N 3.4Å; I215-V236 HydrophobicContact CD1-CG1 4.2Å; I215-V236 HydrophobicContact CG1-CG1 4.02Å; I215-V236 HydrophobicContact CG1-CG2 4.38Å; H232-V236 HydrophobicContact CB-CG2 3.73Å; E234-V236 PolarHBondContact O-N 2.9Å; E234-V236 VanDerWaalsContact O-N 3.15Å; V236-C251 CarbonylContact C-O 3.58Å; V236-C251 WeakPolarHBondContact CA-O 3.3Å; V236-C251 WeakPolarHBondContact CG1-O 3.45Å
237R98.2Very high96.4Very high38 Ų3844.3 Ų44.314%0.14324%0.238CC..EExtended strand (participates in β ladder)trans-77-53.1-173.9-73.5-69.5-177.6-171.1-5.1112.4T195 W235 C251 N253 V277 E279T195-R237 WeakPolarHBondContact CB-O 3.18Å; T195-R237 PolarHBondContact OG1-O 2.93Å; W235-R237 VanDerWaalsContact CE3-CZ 3.46Å; W235-R237 PolarHBondContact O-N 3.15Å; R237-C251 PolarHBondContact N-O 2.82Å; R237-N253 VanDerWaalsContact CZ-OD1 3.27Å; R237-N253 PolarHBondContact NE-OD1 3.16Å; R237-N253 PolarHBondContact NH2-ND2 2.86Å; R237-N253 PolarHBondContact NH2-OD1 3.48Å; R237-V277 HydrophobicContact CG-CG1 4.19Å; R237-E279 IonicContact CZ-OE1 3.41Å; R237-E279 IonicContact NE-OE1 2.94Å; R237-E279 PolarHBondContact NE-OE1 2.83Å
238M98.5Very high96.5Very high21 Ų2141.2 Ų41.210%0.10323%0.227CC..EExtended strand (participates in β ladder)trans-139.7148.4-173.6-170.3170.3-70.700111R240 S250 C251 C280 I281M238-R240 HydrophobicContact CG-CG 4.32Å; M238-R240 HydrophobicContact SD-CG 4.44Å; M238-R240 PolarHBondContact SD-NH2 3.3Å; M238-S250 VanDerWaalsContact O-CA 3.27Å; M238-S250 WeakPolarHBondContact O-CA 3.13Å; M238-C251 PolarHBondContact O-N 3.05Å; M238-C280 HydrophobicContact CE-CB 3.9Å; M238-C280 HydrophobicContact SD-CB 3.9Å; M238-I281 HydrophobicContact CB-CG1 4.27Å; M238-I281 HydrophobicContact CG-CG1 4.14Å; M238-I281 HydrophobicContact SD-CG1 4.35Å
239V98.4Very high96.5Very high0 Ų038.6 Ų38.60%021%0.21CC..EExtended strand (participates in β ladder)trans-132.1134.5173.167.80000110.4S196 V207 I215 L248 A249S196-V239 PolarHBondContact OG-N 3.25Å; V207-V239 HydrophobicContact CG1-CG2 4.07Å; I215-V239 HydrophobicContact CG2-CG2 4.15Å; V239-L248 HydrophobicContact CG2-CD1 3.49Å; V239-L248 VanDerWaalsContact CG2-CD1 3.49Å; V239-L248 HydrophobicContact CG2-CD2 3.68Å; V239-L248 HydrophobicContact CG2-CG 3.56Å; V239-A249 CarbonylContact C-O 3.58Å; V239-A249 WeakPolarHBondContact CA-O 3.37Å
240R98.1Very high96.6Very high24 Ų2438.4 Ų38.49%0.09121%0.21CC..EExtended strand (participates in β ladder)trans-138.3139.3177.6-63.1-66.9171.5-113.94.7110.8D154 S196 V197 M238 A249 I281 W283D154-R240 IonicContact OD1-NH2 3.96Å; D154-R240 IonicContact OD2-CZ 2.9Å; D154-R240 IonicContact OD2-NH1 3.61Å; D154-R240 PolarHBondContact OD2-NH1 3.26Å; D154-R240 VanDerWaalsContact OD2-NH1 3.16Å; D154-R240 IonicContact OD2-NH2 2.71Å; D154-R240 PolarHBondContact OD2-NH2 2.89Å; S196-R240 PolarHBondContact OG-NH1 3.07Å; V197-R240 PolarHBondContact O-NH1 2.95Å; M238-R240 HydrophobicContact CG-CG 4.32Å; M238-R240 HydrophobicContact SD-CG 4.44Å; M238-R240 PolarHBondContact SD-NH2 3.3Å; R240-A249 PolarHBondContact N-O 3.02Å; R240-A249 PolarHBondContact O-N 3.43Å; R240-I281 HydrophobicContact CB-CD1 4.34Å; R240-I281 HydrophobicContact CB-CG1 4.49Å; R240-I281 HydrophobicContact CG-CD1 4.39Å; R240-I281 HydrophobicContact CG-CG1 4.08Å; R240-W283 PolarHBondContact O-NE1 3.03Å
241V97.7Very high96.7Very high21 Ų2134.9 Ų34.913%0.12718%0.181CC..EExtended strand (participates in β ladder)trans-89.6141.7176.5-172.80000109.3A198 L200 P201 V207 L248 I262 W283A198-V241 HydrophobicContact CB-CG2 4.26Å; L200-V241 HydrophobicContact CG-CG1 4.28Å; L200-V241 HydrophobicContact CG-CG2 4.36Å; P201-V241 HydrophobicContact CG-CG1 4.49Å; V207-V241 HydrophobicContact CG2-CG2 4.27Å; V241-L248 HydrophobicContact CG2-CD1 3.7Å; V241-I262 HydrophobicContact CG1-CD1 3.85Å; V241-W283 VanDerWaalsContact C-CD1 3.49Å
242S95.4Very high96.9Very high2 Ų233.5 Ų33.51%0.01417%0.166CC..  trans-66.6153.7173.259.60000111.1D244 G245 T246 F247S242-D244 WeakPolarHBondContact CB-OD1 3.3Å; S242-D244 PolarHBondContact O-N 2.93Å; S242-D244 VanDerWaalsContact O-N 3.16Å; S242-D244 PolarHBondContact OG-OD1 3.36Å; S242-G245 PolarHBondContact O-N 3.49Å; S242-T246 PolarHBondContact OG-N 3.36Å; S242-F247 PolarHBondContact N-O 2.71Å; S242-F247 PolarHBondContact OG-N 3.28Å; S242-F247 PolarHBondContact OG-O 2.68Å; S242-F247 VanDerWaalsContact OG-O 3.14Å
243P92.3Very high96.9Very high86 Ų8634.9 Ų34.956%0.55817%0.174SC*.THydrogen-bonded Turntrans-57.4-31.4-177.1-27.435.7000114.8P201 G245P201-P243 WeakPolarHBondContact CG-O 3.23Å; P243-G245 VanDerWaalsContact C-N 3.35Å
244D91.7Very high96.9Very high101 Ų10128.3 Ų28.354%0.5415%0.151SC..THydrogen-bonded Turntrans-82.4-9.2176.967.5-20.5000113.6S242 T246S242-D244 WeakPolarHBondContact CB-OD1 3.3Å; S242-D244 PolarHBondContact O-N 2.93Å; S242-D244 VanDerWaalsContact O-N 3.16Å; S242-D244 PolarHBondContact OG-OD1 3.36Å; D244-T246 PolarHBondContact O-N 3.25Å; D244-T246 PolarHBondContact OD1-N 2.97Å; D244-T246 WeakPolarHBondContact OD2-CB 3.33Å; D244-T246 PolarHBondContact OD2-OG1 2.92Å
245G93.4Very high96.9Very high17 Ų1728.1 Ų28.118%0.17515%0.15CC..SBendtrans74.97.7-179.200000114.8S242 P243 I262S242-G245 PolarHBondContact O-N 3.49Å; P243-G245 VanDerWaalsContact C-N 3.35Å; G245-I262 WeakPolarHBondContact O-CD1 3.39Å
246T94.7Very high96.9Very high62 Ų6226.5 Ų26.538%0.3815%0.145SC..SBendtrans-79-39.6-178.2-53.80000111.9S242 D244 I262S242-T246 PolarHBondContact OG-N 3.36Å; D244-T246 PolarHBondContact O-N 3.25Å; D244-T246 PolarHBondContact OD1-N 2.97Å; D244-T246 WeakPolarHBondContact OD2-CB 3.33Å; D244-T246 PolarHBondContact OD2-OG1 2.92Å; T246-I262 PolarHBondContact O-N 3Å; T246-I262 VanDerWaalsContact O-N 3.15Å
247F96.2Very high96.8Very high25 Ų2526.5 Ų26.511%0.1115%0.145CC..EExtended strand (participates in β ladder)trans-118.1149.9-172.1-57.6-61.9000112.3S242 V259 W260 V261 I262 K268 W283 P308S242-F247 PolarHBondContact N-O 2.71Å; S242-F247 PolarHBondContact OG-N 3.28Å; S242-F247 PolarHBondContact OG-O 2.68Å; S242-F247 VanDerWaalsContact OG-O 3.14Å; F247-V259 HydrophobicContact CB-CG1 3.91Å; F247-V259 HydrophobicContact CD1-CG1 4.2Å; F247-V259 HydrophobicContact CG-CG1 4.19Å; F247-W260 WeakPolarHBondContact CA-O 3.35Å; F247-V261 HydrophobicContact CD1-CG2 4.37Å; F247-V261 HydrophobicContact CE1-CG2 4.15Å; F247-I262 WeakPolarHBondContact O-CD1 3.35Å; F247-K268 HydrophobicContact CD1-CD 4.17Å; F247-K268 HydrophobicContact CE1-CD 3.52Å; F247-K268 HydrophobicContact CZ-CD 4.08Å; F247-K268 VanDerWaalsContact CZ-NZ 3.28Å; F247-W283 HydrophobicContact CB-CH2 3.65Å; F247-W283 HydrophobicContact CB-CZ2 3.91Å; F247-W283 HydrophobicContact CG-CH2 4.41Å; F247-P308 HydrophobicContact CD2-CG 4.22Å; F247-P308 HydrophobicContact CE2-CG 4.23Å
248L97.2Very high96.8Very high0 Ų026 Ų260%014%0.143CC..EExtended strand (participates in β ladder)trans-116.5126.5169.3-170.680.8000108V207 I215 V239 V241 V259 W260 I262V207-L248 HydrophobicContact CB-CD1 4.09Å; V207-L248 HydrophobicContact CG1-CD1 3.83Å; V207-L248 HydrophobicContact CG1-CD2 3.87Å; V207-L248 HydrophobicContact CG1-CG 4.49Å; V207-L248 HydrophobicContact CG2-CD1 3.97Å; I215-L248 HydrophobicContact CD1-CD2 4.38Å; I215-L248 HydrophobicContact CG2-CD2 3.77Å; V239-L248 HydrophobicContact CG2-CD1 3.49Å; V239-L248 VanDerWaalsContact CG2-CD1 3.49Å; V239-L248 HydrophobicContact CG2-CD2 3.68Å; V239-L248 HydrophobicContact CG2-CG 3.56Å; V241-L248 HydrophobicContact CG2-CD1 3.7Å; L248-V259 CarbonylContact O-C 3.57Å; L248-V259 VanDerWaalsContact O-CA 3.27Å; L248-V259 WeakPolarHBondContact O-CA 3.49Å; L248-W260 HydrophobicContact CB-CB 4.23Å; L248-W260 PolarHBondContact N-O 2.65Å; L248-W260 PolarHBondContact O-N 3.15Å; L248-I262 HydrophobicContact CB-CD1 4.21Å; L248-I262 HydrophobicContact CB-CG1 3.93Å
249A97.9Very high96.8Very high0 Ų025.1 Ų25.10%014%0.138CC..EExtended strand (participates in β ladder)trans-103.1140.7169.200000109.4V239 R240 R258 V259 I281 W283 L310V239-A249 CarbonylContact C-O 3.58Å; V239-A249 WeakPolarHBondContact CA-O 3.37Å; R240-A249 PolarHBondContact N-O 3.02Å; R240-A249 PolarHBondContact O-N 3.43Å; A249-R258 CarbonylContact C-O 3.56Å; A249-R258 WeakPolarHBondContact CA-O 3.45Å; A249-V259 HydrophobicContact CB-CG2 4.19Å; A249-I281 HydrophobicContact CB-CD1 3.71Å; A249-I281 WeakPolarHBondContact O-CD1 3.45Å; A249-W283 HydrophobicContact CB-CH2 4.34Å; A249-W283 HydrophobicContact CB-CZ2 3.4Å; A249-L310 HydrophobicContact CB-CD1 3.93Å; A249-L310 HydrophobicContact CB-CD2 3.94Å
250S98.3Very high96.7Very high0 Ų025.4 Ų25.40%014%0.14CC..EExtended strand (participates in β ladder)trans-136.6146.4174.159.70000111.2I215 H232 M238 I257 R258 W260I215-S250 WeakPolarHBondContact CD1-OG 3.5Å; H232-S250 PolarHBondContact CD2-OG 2.71Å; H232-S250 PolarHBondContact NE2-OG 2.87Å; M238-S250 VanDerWaalsContact O-CA 3.27Å; M238-S250 WeakPolarHBondContact O-CA 3.13Å; S250-I257 CarbonylContact O-C 3.54Å; S250-I257 VanDerWaalsContact O-CA 3.24Å; S250-I257 WeakPolarHBondContact O-CA 3.16Å; S250-I257 WeakPolarHBondContact O-CG2 3.5Å; S250-R258 PolarHBondContact N-O 3.12Å; S250-R258 PolarHBondContact O-N 2.58Å; S250-R258 PolarHBondContact OG-O 2.74Å; S250-W260 PolarHBondContact OG-NE1 3.23Å
251C98.3Very high96.6Very high0 Ų025.7 Ų25.70%014%0.144CC..EExtended strand (participates in β ladder)trans-126.3153.4176.471.20000111.2V236 R237 M238 I257 V278 I281V236-C251 CarbonylContact C-O 3.58Å; V236-C251 WeakPolarHBondContact CA-O 3.3Å; V236-C251 WeakPolarHBondContact CG1-O 3.45Å; R237-C251 PolarHBondContact N-O 2.82Å; M238-C251 PolarHBondContact O-N 3.05Å; C251-I257 HydrophobicContact CB-CG1 4.1Å; C251-V278 HydrophobicContact CB-CB 3.82Å; C251-V278 HydrophobicContact CB-CG1 3.55Å; C251-V278 PolarHBondContact SG-O 2.94Å; C251-I281 HydrophobicContact CB-CG2 3.72Å
252S98.4Very high96.5Very high0 Ų025.5 Ų25.50%014%0.142CC..EExtended strand (participates in β ladder)trans-145.3165.3-168.9172.10000113.9H232 E234 W235 D254 Q255 T256 V278H232-S252 VanDerWaalsContact ND1-CB 3.25Å; H232-S252 WeakPolarHBondContact ND1-CB 3.22Å; E234-S252 PolarHBondContact O-OG 3.21Å; W235-S252 CarbonylContact O-C 3.55Å; W235-S252 VanDerWaalsContact O-CA 3.26Å; W235-S252 WeakPolarHBondContact O-CA 3.21Å; W235-S252 WeakPolarHBondContact O-CB 3.37Å; W235-S252 PolarHBondContact O-OG 2.96Å; S252-D254 VanDerWaalsContact CB-OD1 3.25Å; S252-D254 WeakPolarHBondContact CB-OD1 3.48Å; S252-D254 PolarHBondContact O-N 3.01Å; S252-D254 VanDerWaalsContact OG-CG 3.31Å; S252-D254 PolarHBondContact OG-N 2.81Å; S252-D254 VanDerWaalsContact OG-N 3.15Å; S252-D254 PolarHBondContact OG-OD1 2.76Å; S252-Q255 PolarHBondContact O-N 3.35Å; S252-T256 PolarHBondContact N-O 2.78Å; S252-V278 PolarHBondContact O-N 3.15Å
253N98.4Very high96.4Very high41 Ų4128.7 Ų28.722%0.21917%0.169CC..THydrogen-bonded Turntrans-60.5-19.6166.4-79.313.5000113.7E234 W235 R237 Q255 V277E234-N253 HydrophobicContact CB-CB 3.81Å; W235-N253 HydrophobicContact CB-CB 4.29Å; W235-N253 PolarHBondContact O-N 2.76Å; R237-N253 VanDerWaalsContact CZ-OD1 3.27Å; R237-N253 PolarHBondContact NE-OD1 3.16Å; R237-N253 PolarHBondContact NH2-ND2 2.86Å; R237-N253 PolarHBondContact NH2-OD1 3.48Å; N253-Q255 PolarHBondContact O-N 3.13Å; N253-Q255 VanDerWaalsContact O-N 3.11Å; N253-V277 HydrophobicContact CB-CG1 4.49Å; N253-V277 HydrophobicContact CB-CG2 4.13Å; N253-V277 WeakPolarHBondContact OD1-CG1 3.45Å
254D97.7Very high96.5Very high28 Ų2828.2 Ų28.215%0.1516%0.164CC..THydrogen-bonded Turntrans-72.57.6174.566.917.5000113.6H232 R233 E234 S252 T256H232-D254 WeakPolarHBondContact CA-OD2 3.43Å; H232-D254 IonicContact CE1-OD1 3.69Å; H232-D254 IonicContact CG-OD2 2.6Å; H232-D254 IonicContact ND1-OD1 3.52Å; H232-D254 PolarHBondContact ND1-OD1 3.12Å; H232-D254 IonicContact ND1-OD2 3.83Å; H232-D254 PolarHBondContact ND1-OD2 3.41Å; R233-D254 HydrophobicContact CB-CB 4.13Å; R233-D254 PolarHBondContact N-OD2 3.42Å; E234-D254 HydrophobicContact CB-CB 4.11Å; E234-D254 HydrophobicContact CG-CB 4.5Å; S252-D254 VanDerWaalsContact CB-OD1 3.25Å; S252-D254 WeakPolarHBondContact CB-OD1 3.48Å; S252-D254 PolarHBondContact O-N 3.01Å; S252-D254 VanDerWaalsContact OG-CG 3.31Å; S252-D254 PolarHBondContact OG-N 2.81Å; S252-D254 VanDerWaalsContact OG-N 3.15Å; S252-D254 PolarHBondContact OG-OD1 2.76Å; D254-T256 VanDerWaalsContact CG-OG1 3.3Å; D254-T256 WeakPolarHBondContact O-CG2 3.27Å; D254-T256 PolarHBondContact O-N 3.24Å; D254-T256 VanDerWaalsContact OD1-CB 3.31Å; D254-T256 WeakPolarHBondContact OD1-CB 3.35Å; D254-T256 WeakPolarHBondContact OD1-CG2 3.36Å; D254-T256 PolarHBondContact OD1-N 3.49Å; D254-T256 PolarHBondContact OD1-OG1 3.08Å; D254-T256 PolarHBondContact OD2-OG1 2.99Å
255Q98Very high96.5Very high86 Ų8628.5 Ų28.540%0.40216%0.158SC..SBendtrans69.410.7177.4-42.6178.4-10.100113.4S252 N253 S275S252-Q255 PolarHBondContact O-N 3.35Å; N253-Q255 PolarHBondContact O-N 3.13Å; N253-Q255 VanDerWaalsContact O-N 3.11Å; Q255-S275 PolarHBondContact NE2-O 3.09Å
256T97.1Very high96.6Very high4 Ų433.7 Ų33.73%0.02518%0.178CC..EExtended strand (participates in β ladder)trans-108.2152.7-178.577.40000111.8H232 S252 D254 R272H232-T256 PolarHBondContact CE1-OG1 3.05Å; H232-T256 PolarHBondContact ND1-OG1 2.94Å; S252-T256 PolarHBondContact N-O 2.78Å; D254-T256 VanDerWaalsContact CG-OG1 3.3Å; D254-T256 WeakPolarHBondContact O-CG2 3.27Å; D254-T256 PolarHBondContact O-N 3.24Å; D254-T256 VanDerWaalsContact OD1-CB 3.31Å; D254-T256 WeakPolarHBondContact OD1-CB 3.35Å; D254-T256 WeakPolarHBondContact OD1-CG2 3.36Å; D254-T256 PolarHBondContact OD1-N 3.49Å; D254-T256 PolarHBondContact OD1-OG1 3.08Å; D254-T256 PolarHBondContact OD2-OG1 2.99Å; T256-R272 HydrophobicContact CG2-CG 3.88Å
257I98Very high96.5Very high1 Ų133.1 Ų33.11%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-113.4126.8164-56.9152.2000106.8S250 C251 L271 V278 I281 L310 S312 W322S250-I257 CarbonylContact O-C 3.54Å; S250-I257 VanDerWaalsContact O-CA 3.24Å; S250-I257 WeakPolarHBondContact O-CA 3.16Å; S250-I257 WeakPolarHBondContact O-CG2 3.5Å; C251-I257 HydrophobicContact CB-CG1 4.1Å; I257-L271 HydrophobicContact CB-CB 4.19Å; I257-L271 HydrophobicContact CB-CD1 4.39Å; I257-L271 HydrophobicContact CG2-CD1 4.31Å; I257-L271 PolarHBondContact N-O 3.31Å; I257-L271 PolarHBondContact O-N 2.76Å; I257-V278 HydrophobicContact CD1-CG1 4.18Å; I257-V278 HydrophobicContact CG1-CB 4.47Å; I257-V278 HydrophobicContact CG1-CG1 3.92Å; I257-V278 HydrophobicContact CG1-CG2 4.34Å; I257-I281 HydrophobicContact CG1-CG2 4.34Å; I257-I281 HydrophobicContact CG2-CG2 4.27Å; I257-L310 HydrophobicContact CG2-CD2 3.64Å; I257-S312 WeakPolarHBondContact CD1-OG 3.31Å; I257-W322 HydrophobicContact CD1-CZ2 3.7Å
258R97.5Very high96.4Very high28 Ų2836.9 Ų36.911%0.10619%0.192CC..EExtended strand (participates in β ladder)trans-111.2139.6177.2-71.1-177.5166.4-136.9-5110.3G231 A249 S250 W260 A269 E270G231-R258 VanDerWaalsContact C-CZ 3.5Å; G231-R258 VanDerWaalsContact CA-NH1 3.3Å; G231-R258 PolarHBondContact O-NH1 3.36Å; G231-R258 PolarHBondContact O-NH2 3.04Å; A249-R258 CarbonylContact C-O 3.56Å; A249-R258 WeakPolarHBondContact CA-O 3.45Å; S250-R258 PolarHBondContact N-O 3.12Å; S250-R258 PolarHBondContact O-N 2.58Å; S250-R258 PolarHBondContact OG-O 2.74Å; R258-W260 HydrophobicContact CB-CZ2 3.72Å; R258-W260 VanDerWaalsContact CD-CZ2 3.45Å; R258-W260 HydrophobicContact CG-CZ2 4.24Å; R258-A269 WeakPolarHBondContact CA-O 3.42Å; R258-E270 HydrophobicContact CG-CB 4.48Å; R258-E270 HydrophobicContact CG-CG 4.18Å; R258-E270 IonicContact CZ-OE2 3.01Å; R258-E270 IonicContact NE-OE2 3.81Å; R258-E270 IonicContact NH2-OE1 3.16Å; R258-E270 IonicContact NH2-OE2 3.06Å; R258-E270 PolarHBondContact NH2-OE2 2.9Å
259V97.4Very high96.3Very high1 Ų137.8 Ų37.81%0.00620%0.199CC..EExtended strand (participates in β ladder)trans-115.8124.2172.9-1790000109.4F247 L248 A249 C267 K268 A269 W283 L324F247-V259 HydrophobicContact CB-CG1 3.91Å; F247-V259 HydrophobicContact CD1-CG1 4.2Å; F247-V259 HydrophobicContact CG-CG1 4.19Å; L248-V259 CarbonylContact O-C 3.57Å; L248-V259 VanDerWaalsContact O-CA 3.27Å; L248-V259 WeakPolarHBondContact O-CA 3.49Å; A249-V259 HydrophobicContact CB-CG2 4.19Å; V259-C267 CarbonylContact O-C 3.47Å; V259-K268 PolarHBondContact O-N 3.46Å; V259-A269 HydrophobicContact CB-CB 4.44Å; V259-A269 PolarHBondContact N-O 2.93Å; V259-A269 PolarHBondContact O-N 2.86Å; V259-W283 HydrophobicContact CG1-CH2 4.09Å; V259-L324 HydrophobicContact CB-CD2 4.16Å; V259-L324 HydrophobicContact CG1-CD1 4.22Å; V259-L324 HydrophobicContact CG2-CD1 3.99Å; V259-L324 HydrophobicContact CG2-CD2 3.47Å; V259-L324 VanDerWaalsContact CG2-CD2 3.47Å; V259-L324 HydrophobicContact CG2-CG 4.39Å
260W97.3Very high96.1Very high6 Ų641 Ų412%0.02321%0.214CC..EExtended strand (participates in β ladder)trans-111.5141.9-175.1-4383.7000109.7I215 F229 F247 L248 S250 R258 E266 C267I215-W260 HydrophobicContact CD1-CZ2 4.49Å; F229-W260 HydrophobicContact CB-CD2 4.36Å; F229-W260 HydrophobicContact CB-CE3 4.29Å; F229-W260 HydrophobicContact CB-CZ3 4.46Å; F229-W260 HydrophobicContact CD1-CB 4.13Å; F229-W260 HydrophobicContact CD1-CD2 4.4Å; F229-W260 HydrophobicContact CD1-CE3 4.32Å; F229-W260 HydrophobicContact CD1-CG 4.33Å; F229-W260 HydrophobicContact CE1-CB 4.35Å; F247-W260 WeakPolarHBondContact CA-O 3.35Å; L248-W260 HydrophobicContact CB-CB 4.23Å; L248-W260 PolarHBondContact N-O 2.65Å; L248-W260 PolarHBondContact O-N 3.15Å; S250-W260 PolarHBondContact OG-NE1 3.23Å; R258-W260 HydrophobicContact CB-CZ2 3.72Å; R258-W260 VanDerWaalsContact CD-CZ2 3.45Å; R258-W260 HydrophobicContact CG-CZ2 4.24Å; W260-E266 CarbonylContact C-O 3.54Å; W260-E266 VanDerWaalsContact CA-O 3.3Å; W260-E266 WeakPolarHBondContact CA-O 3.38Å; W260-C267 HydrophobicContact CE3-CB 3.79Å; W260-C267 HydrophobicContact CH2-CB 4.47Å; W260-C267 HydrophobicContact CZ3-CB 3.76Å
261V96.2Very high96Very high30 Ų3041.1 Ų41.118%0.18222%0.215CC..EExtended strand (participates in β ladder)trans-80.8118.9166.4-175.20000107.7F247 A263 T264 R265 E266 K268F247-V261 HydrophobicContact CD1-CG2 4.37Å; F247-V261 HydrophobicContact CE1-CG2 4.15Å; V261-A263 VanDerWaalsContact C-N 3.31Å; V261-A263 HydrophobicContact CG1-CB 4.48Å; V261-A263 PolarHBondContact O-N 3.35Å; V261-T264 WeakPolarHBondContact CB-OG1 3.3Å; V261-T264 HydrophobicContact CG1-CG2 4.41Å; V261-T264 PolarHBondContact O-N 2.79Å; V261-R265 VanDerWaalsContact O-CA 3.31Å; V261-R265 WeakPolarHBondContact O-CA 3.33Å; V261-R265 PolarHBondContact O-N 2.91Å; V261-E266 PolarHBondContact N-O 3.21Å; V261-K268 HydrophobicContact CG2-CB 3.98Å
262I94.7Very high95.9Very high17 Ų1747.9 Ų47.99%0.08724%0.241CC..THydrogen-bonded Turntrans-60.9-43.3-174.5-75.2169.9000110.9L200 M217 R227 V241 G245 T246 F247 L248L200-I262 HydrophobicContact CD2-CD1 4.03Å; L200-I262 HydrophobicContact CD2-CG2 3.92Å; M217-I262 HydrophobicContact CE-CB 4.48Å; M217-I262 HydrophobicContact CE-CG1 4.49Å; M217-I262 HydrophobicContact CE-CG2 3.61Å; R227-I262 PolarHBondContact NH1-O 3.39Å; V241-I262 HydrophobicContact CG1-CD1 3.85Å; G245-I262 WeakPolarHBondContact O-CD1 3.39Å; T246-I262 PolarHBondContact O-N 3Å; T246-I262 VanDerWaalsContact O-N 3.15Å; F247-I262 WeakPolarHBondContact O-CD1 3.35Å; L248-I262 HydrophobicContact CB-CD1 4.21Å; L248-I262 HydrophobicContact CB-CG1 3.93Å
263A94Very high95.8Very high70 Ų7052 Ų5258%0.57926%0.262SS*.THydrogen-bonded Turntrans-67.2-39.3-177.200000113.9R227 V261R227-A263 VanDerWaalsContact NH1-C 3.33Å; R227-A263 PolarHBondContact NH1-O 2.51Å; R227-A263 PolarHBondContact NH2-O 3.16Å; V261-A263 VanDerWaalsContact C-N 3.31Å; V261-A263 HydrophobicContact CG1-CB 4.48Å; V261-A263 PolarHBondContact O-N 3.35Å
264T94.1Very high95.7Very high76 Ų7650.6 Ų50.647%0.46625%0.254SS..THydrogen-bonded Turntrans-102.8-15.1-175.666.90000114V261 E266V261-T264 WeakPolarHBondContact CB-OG1 3.3Å; V261-T264 HydrophobicContact CG1-CG2 4.41Å; V261-T264 PolarHBondContact O-N 2.79Å; T264-E266 PolarHBondContact O-N 2.9Å; T264-E266 WeakPolarHBondContact OG1-CB 3.03Å; T264-E266 WeakPolarHBondContact OG1-CG 3.25Å; T264-E266 PolarHBondContact OG1-N 2.95Å; T264-E266 PolarHBondContact OG1-OE2 2.87Å
265R92Very high95.7Very high106 Ų10653.5 Ų53.540%0.428%0.277SS..  trans66.58.4-172.3-44177.4-165.6-170.6-0.8114.8V226 F229 V261V226-R265 PolarHBondContact O-NH2 3.14Å; V226-R265 VanDerWaalsContact O-NH2 3.13Å; F229-R265 HydrophobicContact CD1-CB 3.9Å; F229-R265 HydrophobicContact CD1-CG 4.32Å; F229-R265 HydrophobicContact CE1-CB 3.87Å; F229-R265 HydrophobicContact CE1-CG 3.92Å; F229-R265 HydrophobicContact CZ-CG 4.44Å; V261-R265 VanDerWaalsContact O-CA 3.31Å; V261-R265 WeakPolarHBondContact O-CA 3.33Å; V261-R265 PolarHBondContact O-N 2.91Å
266E94.7Very high95.7Very high127 Ų12753.2 Ų53.259%0.59328%0.276SS*.  trans-77.1140.9179.7-66171.214900110.7W260 V261 T264 K268W260-E266 CarbonylContact C-O 3.54Å; W260-E266 VanDerWaalsContact CA-O 3.3Å; W260-E266 WeakPolarHBondContact CA-O 3.38Å; V261-E266 PolarHBondContact N-O 3.21Å; T264-E266 PolarHBondContact O-N 2.9Å; T264-E266 WeakPolarHBondContact OG1-CB 3.03Å; T264-E266 WeakPolarHBondContact OG1-CG 3.25Å; T264-E266 PolarHBondContact OG1-N 2.95Å; T264-E266 PolarHBondContact OG1-OE2 2.87Å; E266-K268 PolarHBondContact O-N 2.89Å
267C94.3Very high95.8Very high49 Ų4953.7 Ų53.733%0.33128%0.278SS..EExtended strand (participates in β ladder)trans-76.2100.8170.4-172.20000108.1V259 W260 A269V259-C267 CarbonylContact O-C 3.47Å; W260-C267 HydrophobicContact CE3-CB 3.79Å; W260-C267 HydrophobicContact CH2-CB 4.47Å; W260-C267 HydrophobicContact CZ3-CB 3.76Å; C267-A269 PolarHBondContact SG-O 2.79Å
268K93.1Very high95.8Very high104 Ų10453.6 Ų53.645%0.45228%0.278SS..EExtended strand (participates in β ladder)trans-66.3-42.3178.1176.4175.4174.2-179.70111.6F247 V259 V261 E266F247-K268 HydrophobicContact CD1-CD 4.17Å; F247-K268 HydrophobicContact CE1-CD 3.52Å; F247-K268 HydrophobicContact CZ-CD 4.08Å; F247-K268 VanDerWaalsContact CZ-NZ 3.28Å; V259-K268 PolarHBondContact O-N 3.46Å; V261-K268 HydrophobicContact CG2-CB 3.98Å; E266-K268 PolarHBondContact O-N 2.89Å
269A94.3Very high95.8Very high19 Ų1953.2 Ų53.216%0.15728%0.277CS..EExtended strand (participates in β ladder)trans-146.7144.8-176.300000111.3R258 V259 C267 L271 L324R258-A269 WeakPolarHBondContact CA-O 3.42Å; V259-A269 HydrophobicContact CB-CB 4.44Å; V259-A269 PolarHBondContact N-O 2.93Å; V259-A269 PolarHBondContact O-N 2.86Å; C267-A269 PolarHBondContact SG-O 2.79Å; A269-L271 HydrophobicContact CB-CD2 4.37Å; A269-L324 HydrophobicContact CB-CD2 4.43Å
270E95.4Very high95.9Very high68 Ų6853.2 Ų53.232%0.31828%0.278SS..EExtended strand (participates in β ladder)trans-122.7108.2169.8-177.5172.5168.500108.3R258 R272R258-E270 HydrophobicContact CG-CB 4.48Å; R258-E270 HydrophobicContact CG-CG 4.18Å; R258-E270 IonicContact CZ-OE2 3.01Å; R258-E270 IonicContact NE-OE2 3.81Å; R258-E270 IonicContact NH2-OE1 3.16Å; R258-E270 IonicContact NH2-OE2 3.06Å; R258-E270 PolarHBondContact NH2-OE2 2.9Å; E270-R272 HydrophobicContact CG-CG 4.23Å; E270-R272 IonicContact OE1-CZ 3.89Å; E270-R272 IonicContact OE1-NE 3.81Å; E270-R272 PolarHBondContact OE1-NE 3.22Å; E270-R272 IonicContact OE1-NH2 3.86Å; E270-R272 PolarHBondContact OE1-NH2 3.16Å
271L96Very high95.9Very high3 Ų353.1 Ų53.12%0.01628%0.278CS..EExtended strand (participates in β ladder)trans-94123.2-176.8-49.5175.9000109.1I257 A269 W322 L324I257-L271 HydrophobicContact CB-CB 4.19Å; I257-L271 HydrophobicContact CB-CD1 4.39Å; I257-L271 HydrophobicContact CG2-CD1 4.31Å; I257-L271 PolarHBondContact N-O 3.31Å; I257-L271 PolarHBondContact O-N 2.76Å; A269-L271 HydrophobicContact CB-CD2 4.37Å; L271-W322 HydrophobicContact CB-CD2 4.29Å; L271-W322 HydrophobicContact CB-CE3 3.79Å; L271-W322 HydrophobicContact CB-CH2 4.12Å; L271-W322 HydrophobicContact CB-CZ3 3.7Å; L271-W322 HydrophobicContact CD1-CB 3.86Å; L271-W322 HydrophobicContact CD1-CD2 3.79Å; L271-W322 HydrophobicContact CD1-CE3 3.87Å; L271-W322 HydrophobicContact CD1-CG 3.79Å; L271-W322 HydrophobicContact CD2-CE3 4.25Å; L271-W322 HydrophobicContact CG-CE3 4.2Å; L271-L324 HydrophobicContact CD1-CD2 3.86Å; L271-L324 HydrophobicContact CD2-CD2 4.32Å; L271-L324 HydrophobicContact CG-CD2 4.42Å
272R95.2Very high96Very high142 Ų14252 Ų5254%0.53627%0.271SS..EExtended strand (participates in β ladder)trans-132.6115.7-178.3-61.8-172.2173.6-159.70.1109.6T256 E270T256-R272 HydrophobicContact CG2-CG 3.88Å; E270-R272 HydrophobicContact CG-CG 4.23Å; E270-R272 IonicContact OE1-CZ 3.89Å; E270-R272 IonicContact OE1-NE 3.81Å; E270-R272 PolarHBondContact OE1-NE 3.22Å; E270-R272 IonicContact OE1-NH2 3.86Å; E270-R272 PolarHBondContact OE1-NH2 3.16Å
273D96.1Very high96.1Very high86 Ų8652.1 Ų52.146%0.4627%0.27SS..  trans-165.9-19.9175-159.237.5000112.1K320 W322 C329D273-K320 HydrophobicContact CB-CD 4.01Å; D273-K320 WeakPolarHBondContact O-CE 3.44Å; D273-K320 WeakPolarHBondContact OD2-CE 3.48Å; D273-K320 IonicContact OD2-NZ 3.59Å; D273-K320 PolarHBondContact OD2-NZ 2.92Å; D273-W322 HydrophobicContact CB-CH2 3.39Å; D273-W322 HydrophobicContact CB-CZ2 4.37Å; D273-W322 HydrophobicContact CB-CZ3 3.9Å; D273-C329 HydrophobicContact CB-CB 4.49Å
274H97.7Very high96.2Very high11 Ų1149.3 Ų49.35%0.05125%0.248CC..  trans-68.1142.2169.3-78.4-62.5000111V278 S312 S314 D316 T318 W322H274-V278 HydrophobicContact CB-CG2 3.77Å; H274-S312 PolarHBondContact NE2-OG 3.19Å; H274-S314 VanDerWaalsContact CE1-CB 3.4Å; H274-S314 WeakPolarHBondContact CE1-CB 3.47Å; H274-S314 WeakPolarHBondContact ND1-CB 3.44Å; H274-D316 VanDerWaalsContact CA-OD2 3.3Å; H274-D316 WeakPolarHBondContact CA-OD2 3.31Å; H274-D316 VanDerWaalsContact CB-OD2 3.3Å; H274-D316 WeakPolarHBondContact CB-OD2 3.27Å; H274-D316 IonicContact CE1-OD1 3.54Å; H274-D316 IonicContact CE1-OD2 3.71Å; H274-D316 IonicContact CG-OD2 2.71Å; H274-D316 IonicContact ND1-OD1 3.36Å; H274-D316 PolarHBondContact ND1-OD1 2.91Å; H274-D316 IonicContact ND1-OD2 3.96Å; H274-D316 PolarHBondContact ND1-OD2 2.79Å; H274-T318 PolarHBondContact CE1-OG1 3.23Å; H274-T318 PolarHBondContact ND1-OG1 3.47Å; H274-W322 AromaticContact CD2-CZ2 3.89Å
275S97.1Very high96.1Very high90 Ų9048.8 Ų48.863%0.62924%0.244SC*.SBendtrans-970.1-179.360.70000113.2Q255 D316Q255-S275 PolarHBondContact NE2-O 3.09Å; S275-D316 PolarHBondContact N-OD2 3.12Å; S275-D316 VanDerWaalsContact N-OD2 3.11Å; S275-D316 VanDerWaalsContact OG-CB 3.28Å; S275-D316 WeakPolarHBondContact OG-CB 3.26Å
276H98.1Very high96.1Very high79 Ų7950.5 Ų50.537%0.36626%0.261SS..SBendtrans-147.1176.9178-153.8-76.7000110.5V278 S314 R315 D316H276-V278 PolarHBondContact O-N 3.39Å; H276-S314 PolarHBondContact O-OG 3.49Å; H276-R315 HydrophobicContact CB-CB 4.13Å; H276-R315 WeakPolarHBondContact ND1-CB 3.5Å; H276-D316 HydrophobicContact CB-CB 3.96Å
277V98.4Very high96Very high14 Ų1446.3 Ų46.39%0.08525%0.249CC..  trans-42.3126.7173.1175.60000112.1R237 N253 E279 S314 R315R237-V277 HydrophobicContact CG-CG1 4.19Å; N253-V277 HydrophobicContact CB-CG1 4.49Å; N253-V277 HydrophobicContact CB-CG2 4.13Å; N253-V277 WeakPolarHBondContact OD1-CG1 3.45Å; V277-E279 HydrophobicContact CG1-CG 4.36Å; V277-E279 WeakPolarHBondContact CG1-OE1 3.37Å; V277-S314 WeakPolarHBondContact O-CA 3.28Å; V277-S314 PolarHBondContact O-OG 3.18Å; V277-S314 VanDerWaalsContact O-OG 3.05Å; V277-R315 HydrophobicContact CB-CB 4.37Å; V277-R315 HydrophobicContact CB-CG 4Å; V277-R315 HydrophobicContact CG1-CG 4.37Å; V277-R315 PolarHBondContact O-N 2.79Å
278V98.6Very high96Very high0 Ų044 Ų440%023%0.233CC..EExtended strand (participates in β ladder)trans-91.3113.3173.1-170.90000108.8C251 S252 I257 H274 H276C251-V278 HydrophobicContact CB-CB 3.82Å; C251-V278 HydrophobicContact CB-CG1 3.55Å; C251-V278 PolarHBondContact SG-O 2.94Å; S252-V278 PolarHBondContact O-N 3.15Å; I257-V278 HydrophobicContact CD1-CG1 4.18Å; I257-V278 HydrophobicContact CG1-CB 4.47Å; I257-V278 HydrophobicContact CG1-CG1 3.92Å; I257-V278 HydrophobicContact CG1-CG2 4.34Å; H274-V278 HydrophobicContact CB-CG2 3.77Å; H276-V278 PolarHBondContact O-N 3.39Å
279E98.2Very high96Very high19 Ų1940.1 Ų40.19%0.08922%0.218CC..EExtended strand (participates in β ladder)trans-87.5-38.5-171.3-74.3-76.1134.600112.5R237 V277 G313 R315 V340 R341R237-E279 IonicContact CZ-OE1 3.41Å; R237-E279 IonicContact NE-OE1 2.94Å; R237-E279 PolarHBondContact NE-OE1 2.83Å; V277-E279 HydrophobicContact CG1-CG 4.36Å; V277-E279 WeakPolarHBondContact CG1-OE1 3.37Å; E279-G313 PolarHBondContact N-O 3.28Å; E279-R315 HydrophobicContact CG-CG 3.73Å; E279-R315 IonicContact OE1-CZ 2.62Å; E279-R315 IonicContact OE1-NE 3.34Å; E279-R315 PolarHBondContact OE1-NE 2.88Å; E279-R315 IonicContact OE1-NH2 2.72Å; E279-R315 PolarHBondContact OE1-NH2 3.24Å; E279-R315 IonicContact OE2-NH2 3.69Å; E279-V340 WeakPolarHBondContact CB-O 3.44Å; E279-R341 IonicContact OE2-CZ 3.67Å; E279-R341 IonicContact OE2-NH1 2.78Å; E279-R341 PolarHBondContact OE2-NH1 3.5Å
280C98.3Very high95.9Very high2 Ų242.9 Ų42.91%0.01423%0.234CC..EExtended strand (participates in β ladder)trans-143.3155.9-172.958.60000112.8M238 S312 G313 R341 L343M238-C280 HydrophobicContact CE-CB 3.9Å; M238-C280 HydrophobicContact SD-CB 3.9Å; C280-S312 WeakPolarHBondContact O-CA 3.28Å; C280-G313 PolarHBondContact N-O 2.63Å; C280-G313 PolarHBondContact O-N 2.85Å; C280-R341 VanDerWaalsContact CB-O 3.32Å; C280-R341 WeakPolarHBondContact CB-O 3.35Å; C280-R341 VanDerWaalsContact SG-C 3.53Å; C280-R341 PolarHBondContact SG-O 3.23Å; C280-L343 VanDerWaalsContact SG-CD2 3.55Å
281I98.2Very high95.8Very high4 Ų442.8 Ų42.82%0.02123%0.231CC..EExtended strand (participates in β ladder)trans-142.6149178.248.4169.5000110.1M238 R240 A249 C251 I257 L310 A311M238-I281 HydrophobicContact CB-CG1 4.27Å; M238-I281 HydrophobicContact CG-CG1 4.14Å; M238-I281 HydrophobicContact SD-CG1 4.35Å; R240-I281 HydrophobicContact CB-CD1 4.34Å; R240-I281 HydrophobicContact CB-CG1 4.49Å; R240-I281 HydrophobicContact CG-CD1 4.39Å; R240-I281 HydrophobicContact CG-CG1 4.08Å; A249-I281 HydrophobicContact CB-CD1 3.71Å; A249-I281 WeakPolarHBondContact O-CD1 3.45Å; C251-I281 HydrophobicContact CB-CG2 3.72Å; I257-I281 HydrophobicContact CG1-CG2 4.34Å; I257-I281 HydrophobicContact CG2-CG2 4.27Å; I281-L310 HydrophobicContact CB-CD1 4.46Å; I281-L310 HydrophobicContact CG2-CD2 4.35Å; I281-A311 CarbonylContact C-O 3.59Å; I281-A311 VanDerWaalsContact CA-O 3.24Å; I281-A311 WeakPolarHBondContact CA-O 3.2Å
282C97.9Very high95.7Very high7 Ų742.6 Ų42.65%0.04723%0.23CC..EExtended strand (participates in β ladder)trans-143.9130.8173.3-171.40000110.2L310 A311 L343C282-L310 WeakPolarHBondContact O-CD1 3.21Å; C282-A311 PolarHBondContact N-O 2.77Å; C282-A311 PolarHBondContact O-N 3.03Å; C282-L343 HydrophobicContact CB-CD1 3.28Å; C282-L343 HydrophobicContact CB-CG 4.37Å
283W97.3Very high95.5Very high18 Ų1837.2 Ų37.27%0.06821%0.212CC..EExtended strand (participates in β ladder)trans-69.7139.3169.8-68.999.3000110.5R240 V241 F247 A249 V259 P308 L310 L324 F345R240-W283 PolarHBondContact O-NE1 3.03Å; V241-W283 VanDerWaalsContact C-CD1 3.49Å; F247-W283 HydrophobicContact CB-CH2 3.65Å; F247-W283 HydrophobicContact CB-CZ2 3.91Å; F247-W283 HydrophobicContact CG-CH2 4.41Å; A249-W283 HydrophobicContact CB-CH2 4.34Å; A249-W283 HydrophobicContact CB-CZ2 3.4Å; V259-W283 HydrophobicContact CG1-CH2 4.09Å; W283-P308 HydrophobicContact CE3-CB 4.25Å; W283-P308 HydrophobicContact CZ3-CB 3.85Å; W283-P308 HydrophobicContact CZ3-CG 4.04Å; W283-L310 HydrophobicContact CD2-CD1 3.66Å; W283-L310 HydrophobicContact CE3-CD1 4.02Å; W283-L310 HydrophobicContact CG-CD1 3.92Å; W283-L310 HydrophobicContact CZ2-CD1 4.45Å; W283-L324 HydrophobicContact CE3-CD1 4.33Å; W283-L324 HydrophobicContact CH2-CD1 3.29Å; W283-L324 HydrophobicContact CZ3-CD1 3.19Å; W283-F345 WeakPolarHBondContact O-CD2 3.28Å
284A95.4Very high95.3Very high12 Ų1239.1 Ų39.110%0.09922%0.218CC..PPolyproline II helixtrans-77.9149.217000000110.4V288 F309 F345A284-V288 HydrophobicContact CB-CB 4.03Å; A284-V288 HydrophobicContact CB-CG1 4.1Å; A284-V288 HydrophobicContact CB-CG2 4.18Å; A284-F309 HydrophobicContact CB-CB 3.73Å; A284-F309 WeakPolarHBondContact CB-O 3.5Å; A284-F309 PolarHBondContact N-O 2.92Å; A284-F345 HydrophobicContact CB-CD2 4.1Å; A284-F345 HydrophobicContact CB-CE2 3.66Å; A284-F345 HydrophobicContact CB-CZ 3.91Å
285T92.1Very high95Very high64 Ų6439 Ų3939%0.39322%0.22SC..PPolyproline II helixtrans-93.4167.5168.861.50000110.2A287 V288T285-A287 PolarHBondContact O-N 3.3Å; T285-A287 VanDerWaalsContact O-N 3.11Å; T285-V288 WeakPolarHBondContact O-CB 3.36Å; T285-V288 PolarHBondContact O-N 2.96Å
286D91.7Very high94.6Very high142 Ų14236.3 Ų36.376%0.75920%0.199SC*.G310 helixtrans-57.5-28.4178.1-62.4-20.2000112.9V288 V289D286-V288 PolarHBondContact O-N 3.45Å; D286-V289 WeakPolarHBondContact O-CB 3.31Å; D286-V289 WeakPolarHBondContact O-CG2 3.17Å; D286-V289 PolarHBondContact O-N 3.01Å; D286-V289 VanDerWaalsContact O-N 3.12Å
287A92Very high93.8Very high40 Ų4034 Ų3433%0.33120%0.196SC..G310 helixtrans-60.3-26.117600000113.2T285 Y291 P347T285-A287 PolarHBondContact O-N 3.3Å; T285-A287 VanDerWaalsContact O-N 3.11Å; A287-Y291 VanDerWaalsContact O-CD2 3.27Å; A287-Y291 WeakPolarHBondContact O-CD2 3.37Å; A287-Y291 VanDerWaalsContact O-CE2 3.23Å; A287-Y291 WeakPolarHBondContact O-CE2 3.33Å; A287-P347 WeakPolarHBondContact CB-O 3.4Å
288V94.1Very high92.1Very high0 Ų039.6 Ų39.60%023%0.231CC..G310 helixtrans-79.6-24-179.4179.60000111.7A284 T285 D286 Y291 V292 F345A284-V288 HydrophobicContact CB-CB 4.03Å; A284-V288 HydrophobicContact CB-CG1 4.1Å; A284-V288 HydrophobicContact CB-CG2 4.18Å; T285-V288 WeakPolarHBondContact O-CB 3.36Å; T285-V288 PolarHBondContact O-N 2.96Å; D286-V288 PolarHBondContact O-N 3.45Å; V288-Y291 PolarHBondContact O-N 3.45Å; V288-Y291 VanDerWaalsContact O-N 3.13Å; V288-V292 HydrophobicContact CG1-CG2 3.59Å; V288-V292 PolarHBondContact O-N 3.08Å; V288-F345 HydrophobicContact CB-CD1 4.45Å; V288-F345 HydrophobicContact CG1-CD1 3.92Å; V288-F345 HydrophobicContact CG1-CE1 3.68Å; V288-F345 HydrophobicContact CG1-CZ 4.31Å; V288-F345 HydrophobicContact CG2-CB 3.95Å; V288-F345 HydrophobicContact CG2-CD1 3.59Å; V288-F345 HydrophobicContact CG2-CE1 4.17Å; V288-F345 HydrophobicContact CG2-CG 3.78Å
289V93.5Very high89.9Confident22 Ų2247.4 Ų47.413%0.13327%0.273CS..Hα-helixtrans-55.8-46.7-170.5174.30000113.5D286 Y291 V292 N293 R305 F309D286-V289 WeakPolarHBondContact O-CB 3.31Å; D286-V289 WeakPolarHBondContact O-CG2 3.17Å; D286-V289 PolarHBondContact O-N 3.01Å; D286-V289 VanDerWaalsContact O-N 3.12Å; V289-Y291 VanDerWaalsContact C-N 3.32Å; V289-Y291 PolarHBondContact O-N 2.6Å; V289-V292 PolarHBondContact O-N 2.89Å; V289-N293 WeakPolarHBondContact CG1-ND2 3.18Å; V289-N293 PolarHBondContact O-N 3.08Å; V289-N293 VanDerWaalsContact O-N 3.09Å; V289-N293 PolarHBondContact O-ND2 3.4Å; V289-R305 VanDerWaalsContact CG1-O 3.31Å; V289-R305 WeakPolarHBondContact CG1-O 3.36Å; V289-F309 HydrophobicContact CB-CE2 4.25Å; V289-F309 HydrophobicContact CG1-CE2 4.21Å; V289-F309 HydrophobicContact CG2-CD2 4.19Å; V289-F309 HydrophobicContact CG2-CE2 3.91Å
290P92.7Very high87.8Confident77 Ų7749.4 Ų49.450%0.529%0.286SS..Hα-helixtrans-61.1-41.1178.7-22.934.9000112.4N293 E294P290-N293 PolarHBondContact O-N 2.82Å; P290-E294 WeakPolarHBondContact O-CB 3.32Å; P290-E294 PolarHBondContact O-N 2.95Å
291Y94.1Very high85.7Confident66 Ų6653.5 Ų53.526%0.25933%0.329SS..Hα-helixtrans-72.2-34.9-176.9-54.4-73000112.5A287 V288 V289 E294 A295 G348 G349 K350A287-Y291 VanDerWaalsContact O-CD2 3.27Å; A287-Y291 WeakPolarHBondContact O-CD2 3.37Å; A287-Y291 VanDerWaalsContact O-CE2 3.23Å; A287-Y291 WeakPolarHBondContact O-CE2 3.33Å; V288-Y291 PolarHBondContact O-N 3.45Å; V288-Y291 VanDerWaalsContact O-N 3.13Å; V289-Y291 VanDerWaalsContact C-N 3.32Å; V289-Y291 PolarHBondContact O-N 2.6Å; Y291-E294 PolarHBondContact O-N 2.81Å; Y291-A295 WeakPolarHBondContact O-CB 3.22Å; Y291-A295 PolarHBondContact O-N 3.26Å; Y291-G348 VanDerWaalsContact CE2-O 3.29Å; Y291-G348 WeakPolarHBondContact CE2-O 3.42Å; Y291-G349 WeakPolarHBondContact CD2-O 3.39Å; Y291-K350 HydrophobicContact CD1-CB 4.29Å; Y291-K350 HydrophobicContact CD1-CG 4.22Å; Y291-K350 HydrophobicContact CD2-CB 4.43Å; Y291-K350 HydrophobicContact CE1-CB 3.86Å; Y291-K350 HydrophobicContact CE1-CD 4.39Å; Y291-K350 HydrophobicContact CE1-CG 3.88Å; Y291-K350 HydrophobicContact CE2-CB 4.03Å; Y291-K350 VanDerWaalsContact CE2-N 3.31Å
292V93.2Very high83.6Confident0 Ų056.6 Ų56.60%035%0.35CS..Hα-helixtrans-66.8-43.4173170.60000110.8V288 V289 E294 A295 V296 F309 I321 L330 I366V288-V292 HydrophobicContact CG1-CG2 3.59Å; V288-V292 PolarHBondContact O-N 3.08Å; V289-V292 PolarHBondContact O-N 2.89Å; V292-E294 VanDerWaalsContact C-N 3.34Å; V292-E294 PolarHBondContact O-N 2.55Å; V292-A295 WeakPolarHBondContact O-CB 3.32Å; V292-A295 PolarHBondContact O-N 3.32Å; V292-V296 WeakPolarHBondContact O-CG2 3.31Å; V292-V296 PolarHBondContact O-N 2.85Å; V292-F309 HydrophobicContact CB-CD2 4.31Å; V292-F309 HydrophobicContact CB-CE2 4.06Å; V292-F309 HydrophobicContact CB-CZ 4.3Å; V292-F309 HydrophobicContact CG1-CD1 4.07Å; V292-F309 HydrophobicContact CG1-CD2 4.24Å; V292-F309 HydrophobicContact CG1-CE1 3.78Å; V292-F309 HydrophobicContact CG1-CE2 3.94Å; V292-F309 HydrophobicContact CG1-CG 4.3Å; V292-F309 HydrophobicContact CG1-CZ 3.71Å; V292-F309 HydrophobicContact CG2-CD2 4.31Å; V292-I321 HydrophobicContact CG2-CG2 4.46Å; V292-L330 HydrophobicContact CG1-CD1 3.43Å; V292-L330 VanDerWaalsContact CG1-CD1 3.43Å; V292-I366 HydrophobicContact CG2-CG2 3.78Å
293N91.6Very high82Confident29 Ų2960.3 Ų60.316%0.15538%0.381CS..Hα-helixtrans-62-42175.8-77.8-53.3000111.8V289 P290 A295 V296 G297 R305V289-N293 WeakPolarHBondContact CG1-ND2 3.18Å; V289-N293 PolarHBondContact O-N 3.08Å; V289-N293 VanDerWaalsContact O-N 3.09Å; V289-N293 PolarHBondContact O-ND2 3.4Å; P290-N293 PolarHBondContact O-N 2.82Å; N293-A295 VanDerWaalsContact C-N 3.33Å; N293-A295 PolarHBondContact O-N 3.2Å; N293-V296 PolarHBondContact O-N 2.95Å; N293-G297 PolarHBondContact O-N 2.74Å; N293-R305 PolarHBondContact ND2-O 2.98Å; N293-R305 WeakPolarHBondContact OD1-CB 3.28Å; N293-R305 PolarHBondContact OD1-N 3.44Å; N293-R305 PolarHBondContact OD1-O 3.26Å
294E92Very high80.7Confident126 Ų12665.5 Ų65.559%0.58941%0.406SS*.Hα-helixtrans-60.5-42.4173.1-168.8-173.4167.200111.5P290 Y291 V292 V296 G297 S367P290-E294 WeakPolarHBondContact O-CB 3.32Å; P290-E294 PolarHBondContact O-N 2.95Å; Y291-E294 PolarHBondContact O-N 2.81Å; V292-E294 VanDerWaalsContact C-N 3.34Å; V292-E294 PolarHBondContact O-N 2.55Å; E294-V296 PolarHBondContact O-N 3.16Å; E294-G297 PolarHBondContact O-N 3.05Å; E294-S367 VanDerWaalsContact CD-CB 3.44Å; E294-S367 VanDerWaalsContact OE2-CB 3.29Å; E294-S367 WeakPolarHBondContact OE2-CB 3.18Å
295A91.5Very high79.7Confident9 Ų966.5 Ų66.57%0.07441%0.408CS..Hα-helixtrans-63-41.4178.600000113Y291 V292 N293 F331 I366 S367 K369Y291-A295 WeakPolarHBondContact O-CB 3.22Å; Y291-A295 PolarHBondContact O-N 3.26Å; V292-A295 WeakPolarHBondContact O-CB 3.32Å; V292-A295 PolarHBondContact O-N 3.32Å; N293-A295 VanDerWaalsContact C-N 3.33Å; N293-A295 PolarHBondContact O-N 3.2Å; A295-F331 HydrophobicContact CB-CD1 4.39Å; A295-F331 HydrophobicContact CB-CE1 3.76Å; A295-F331 HydrophobicContact CB-CZ 4.08Å; A295-I366 VanDerWaalsContact CB-O 3.25Å; A295-I366 WeakPolarHBondContact CB-O 3.32Å; A295-S367 WeakPolarHBondContact CA-O 3.43Å; A295-K369 HydrophobicContact CB-CG 4.31Å; A295-K369 WeakPolarHBondContact O-CE 3.4Å; A295-K369 PolarHBondContact O-NZ 3.4Å
296V88.4Confident79.3Confident33 Ų3371.5 Ų71.520%0.242%0.421CS..Hα-helixtrans-74-34.6179.2177.50000110.8V292 N293 E294 T300 L330 F331V292-V296 WeakPolarHBondContact O-CG2 3.31Å; V292-V296 PolarHBondContact O-N 2.85Å; N293-V296 PolarHBondContact O-N 2.95Å; E294-V296 PolarHBondContact O-N 3.16Å; V296-T300 HydrophobicContact CG1-CG2 4.13Å; V296-L330 HydrophobicContact CG2-CB 4.17Å; V296-L330 HydrophobicContact CG2-CD1 4.04Å; V296-L330 HydrophobicContact CG2-CD2 4.19Å; V296-L330 HydrophobicContact CG2-CG 4.39Å; V296-F331 HydrophobicContact CG2-CD1 4.46Å
297G80.1Confident78.8Confident30 Ų3065.7 Ų65.731%0.30939%0.394SS..  trans78158.8-178.100000113.2N293 E294 N299N293-G297 PolarHBondContact O-N 2.74Å; E294-G297 PolarHBondContact O-N 3.05Å; G297-N299 PolarHBondContact O-N 3.33Å
298T63.2Low78.9Confident132 Ų13266 Ų6681%0.8139%0.393SS*.THydrogen-bonded Turntrans-74.2-8.7178.644.70000114.1T300T298-T300 CarbonylContact O-C 3.57Å; T298-T300 PolarHBondContact O-N 3.27Å; T298-T300 VanDerWaalsContact O-O 3.12Å
299N52.8Low78.9Confident164 Ų16466.2 Ų66.288%0.87739%0.393SS*.THydrogen-bonded Turntrans-68.5-18.9-178.6-76.4-9.5000113.2G297 G301G297-N299 PolarHBondContact O-N 3.33Å; N299-G301 PolarHBondContact O-N 3.44Å
300T54.1Low79.1Confident60 Ų6065.1 Ų65.137%0.36839%0.387SS..SBendtrans-79.8114.1160.665.90000105.8V296 T298 C302V296-T300 HydrophobicContact CG1-CG2 4.13Å; T298-T300 CarbonylContact O-C 3.57Å; T298-T300 PolarHBondContact O-N 3.27Å; T298-T300 VanDerWaalsContact O-O 3.12Å; T300-C302 PolarHBondContact O-N 2.83Å
301G54.3Low79.4Confident89 Ų8961.5 Ų61.592%0.91836%0.363SS*.  trans-60.823.5177.800000115.7N299N299-G301 PolarHBondContact O-N 3.44Å
302C54.3Low79.6Confident69 Ų6958.3 Ų58.347%0.46635%0.351SS..  trans-76.3132.4168-132.10000108.5T300T300-C302 PolarHBondContact O-N 2.83Å
303A64.2Low79.8Confident85 Ų8558.3 Ų58.370%0.70235%0.351SS*.  trans-53.7163.716500000110.5R305A303-R305 PolarHBondContact O-N 3.44Å; A303-R305 VanDerWaalsContact O-N 3.16Å
304Q69.1Low80.2Confident126 Ų12657 Ų5759%0.58934%0.344SS*.  trans-45.3123.3175.1-158.6170.71500110.2Y306Q304-Y306 HydrophobicContact CB-CE2 4.47Å; Q304-Y306 WeakPolarHBondContact O-CD2 3.26Å; Q304-Y306 WeakPolarHBondContact O-CE2 3.32Å
305R75.5Confident80.5Confident34 Ų3453 Ų5313%0.12832%0.323CS..  trans-85.2134.9-177.6-62.5171.6180-124.711108.8V289 N293 A303 F309 D323V289-R305 VanDerWaalsContact CG1-O 3.31Å; V289-R305 WeakPolarHBondContact CG1-O 3.36Å; N293-R305 PolarHBondContact ND2-O 2.98Å; N293-R305 WeakPolarHBondContact OD1-CB 3.28Å; N293-R305 PolarHBondContact OD1-N 3.44Å; N293-R305 PolarHBondContact OD1-O 3.26Å; A303-R305 PolarHBondContact O-N 3.44Å; A303-R305 VanDerWaalsContact O-N 3.16Å; R305-F309 HydrophobicContact CB-CE1 4.2Å; R305-F309 HydrophobicContact CB-CZ 3.78Å; R305-D323 WeakPolarHBondContact CD-OD2 3.49Å; R305-D323 IonicContact CZ-OD2 2.91Å; R305-D323 IonicContact NE-OD2 2.79Å; R305-D323 IonicContact NH1-OD2 2.74Å; R305-D323 PolarHBondContact NH1-OD2 3.36Å
306Y82.3Confident80.8Confident169 Ų16953.8 Ų53.866%0.66333%0.326SS*.  trans-105.50.6179.7-60.3-80.1000112.8Q304Q304-Y306 HydrophobicContact CB-CE2 4.47Å; Q304-Y306 WeakPolarHBondContact O-CD2 3.26Å; Q304-Y306 WeakPolarHBondContact O-CE2 3.32Å
307G82.8Confident81.3Confident19 Ų1957 Ų5720%0.19634%0.337CS..  trans75.8-151.8-175.500000112.7
308P92.6Very high82.1Confident48 Ų4856.4 Ų56.431%0.31233%0.328SS..  cis-71.8139.48.928.5-33.4000112F247 W283 L324F247-P308 HydrophobicContact CD2-CG 4.22Å; F247-P308 HydrophobicContact CE2-CG 4.23Å; W283-P308 HydrophobicContact CE3-CB 4.25Å; W283-P308 HydrophobicContact CZ3-CB 3.85Å; W283-P308 HydrophobicContact CZ3-CG 4.04Å; P308-L324 HydrophobicContact CG-CB 4.15Å; P308-L324 HydrophobicContact CG-CD1 4.02Å; P308-L324 WeakPolarHBondContact O-CB 3.37Å; P308-L324 PolarHBondContact O-N 2.8Å
309F95.2Very high83.8Confident3 Ų350.2 Ų50.21%0.01329%0.29CS..EExtended strand (participates in β ladder)trans-95.4148.6177.1-54.1-64.9000111.4A284 V289 V292 R305 W322 D323 L330A284-F309 HydrophobicContact CB-CB 3.73Å; A284-F309 WeakPolarHBondContact CB-O 3.5Å; A284-F309 PolarHBondContact N-O 2.92Å; V289-F309 HydrophobicContact CB-CE2 4.25Å; V289-F309 HydrophobicContact CG1-CE2 4.21Å; V289-F309 HydrophobicContact CG2-CD2 4.19Å; V289-F309 HydrophobicContact CG2-CE2 3.91Å; V292-F309 HydrophobicContact CB-CD2 4.31Å; V292-F309 HydrophobicContact CB-CE2 4.06Å; V292-F309 HydrophobicContact CB-CZ 4.3Å; V292-F309 HydrophobicContact CG1-CD1 4.07Å; V292-F309 HydrophobicContact CG1-CD2 4.24Å; V292-F309 HydrophobicContact CG1-CE1 3.78Å; V292-F309 HydrophobicContact CG1-CE2 3.94Å; V292-F309 HydrophobicContact CG1-CG 4.3Å; V292-F309 HydrophobicContact CG1-CZ 3.71Å; V292-F309 HydrophobicContact CG2-CD2 4.31Å; R305-F309 HydrophobicContact CB-CE1 4.2Å; R305-F309 HydrophobicContact CB-CZ 3.78Å; F309-W322 VanDerWaalsContact CA-O 3.24Å; F309-W322 WeakPolarHBondContact CA-O 3.38Å; F309-D323 HydrophobicContact CD1-CB 3.95Å; F309-D323 HydrophobicContact CE1-CB 3.91Å; F309-L330 HydrophobicContact CD1-CD1 3.96Å; F309-L330 HydrophobicContact CE1-CD1 3.87Å
310L97.1Very high86Confident0 Ų043.2 Ų43.20%025%0.251CS..EExtended strand (participates in β ladder)trans-129140.9177.1-169.175.1000108.9A249 I257 I281 C282 W283 I321 W322A249-L310 HydrophobicContact CB-CD1 3.93Å; A249-L310 HydrophobicContact CB-CD2 3.94Å; I257-L310 HydrophobicContact CG2-CD2 3.64Å; I281-L310 HydrophobicContact CB-CD1 4.46Å; I281-L310 HydrophobicContact CG2-CD2 4.35Å; C282-L310 WeakPolarHBondContact O-CD1 3.21Å; W283-L310 HydrophobicContact CD2-CD1 3.66Å; W283-L310 HydrophobicContact CE3-CD1 4.02Å; W283-L310 HydrophobicContact CG-CD1 3.92Å; W283-L310 HydrophobicContact CZ2-CD1 4.45Å; L310-I321 CarbonylContact O-C 3.52Å; L310-I321 WeakPolarHBondContact O-CA 3.33Å; L310-W322 HydrophobicContact CB-CB 4.33Å; L310-W322 PolarHBondContact N-O 2.94Å; L310-W322 VanDerWaalsContact O-CD1 3.31Å; L310-W322 PolarHBondContact O-N 3.23Å
311A98.2Very high88Confident0 Ų040.3 Ų40.30%023%0.234CC..EExtended strand (participates in β ladder)trans-107143165.700000109.8I281 C282 K320 I321 L343 F345 L352I281-A311 CarbonylContact C-O 3.59Å; I281-A311 VanDerWaalsContact CA-O 3.24Å; I281-A311 WeakPolarHBondContact CA-O 3.2Å; C282-A311 PolarHBondContact N-O 2.77Å; C282-A311 PolarHBondContact O-N 3.03Å; A311-K320 CarbonylContact C-O 3.6Å; A311-K320 WeakPolarHBondContact CA-O 3.34Å; A311-I321 HydrophobicContact CB-CD1 3.51Å; A311-L343 HydrophobicContact CB-CD1 3.46Å; A311-L343 VanDerWaalsContact CB-CD1 3.46Å; A311-F345 HydrophobicContact CB-CE2 3.63Å; A311-F345 HydrophobicContact CB-CZ 3.57Å; A311-L352 HydrophobicContact CB-CD1 4.31Å; A311-L352 HydrophobicContact CB-CD2 4.43Å
312S98.6Very high90Very high0 Ų036.3 Ų36.30%019%0.191CC..EExtended strand (participates in β ladder)trans-132.2146.6174.460.80000111.7I257 H274 C280 I319 K320 W322I257-S312 WeakPolarHBondContact CD1-OG 3.31Å; H274-S312 PolarHBondContact NE2-OG 3.19Å; C280-S312 WeakPolarHBondContact O-CA 3.28Å; S312-I319 CarbonylContact O-C 3.6Å; S312-I319 WeakPolarHBondContact O-CA 3.44Å; S312-I319 WeakPolarHBondContact O-CG2 3.44Å; S312-K320 PolarHBondContact N-O 2.9Å; S312-K320 PolarHBondContact O-N 3.39Å; S312-W322 PolarHBondContact OG-NE1 2.94Å
313G98.5Very high91.9Very high0 Ų033.2 Ų33.20%017%0.17CC..EExtended strand (participates in β ladder)trans-121.9137.1176.300000109.7E279 C280E279-G313 PolarHBondContact N-O 3.28Å; C280-G313 PolarHBondContact N-O 2.63Å; C280-G313 PolarHBondContact O-N 2.85Å
314S98.6Very high93.1Very high0 Ų029.6 Ų29.60%014%0.139CC..EExtended strand (participates in β ladder)trans-131.5161.7-171.4169.90000112.1H274 H276 V277 D316 K317 T318 V340H274-S314 VanDerWaalsContact CE1-CB 3.4Å; H274-S314 WeakPolarHBondContact CE1-CB 3.47Å; H274-S314 WeakPolarHBondContact ND1-CB 3.44Å; H276-S314 PolarHBondContact O-OG 3.49Å; V277-S314 WeakPolarHBondContact O-CA 3.28Å; V277-S314 PolarHBondContact O-OG 3.18Å; V277-S314 VanDerWaalsContact O-OG 3.05Å; S314-D316 WeakPolarHBondContact CB-OD1 3.4Å; S314-D316 PolarHBondContact O-N 2.62Å; S314-D316 PolarHBondContact OG-N 3.38Å; S314-D316 VanDerWaalsContact OG-N 3.09Å; S314-D316 PolarHBondContact OG-OD1 3.31Å; S314-D316 PolarHBondContact OG-OD2 3.07Å; S314-K317 PolarHBondContact O-N 3.25Å; S314-T318 PolarHBondContact N-O 2.99Å; S314-V340 PolarHBondContact O-N 3.41Å
315R98.4Very high93.8Very high43 Ų4326.4 Ų26.416%0.16214%0.14CC..THydrogen-bonded Turntrans-70.1-10.6169.6-65.6-164.4-168.7-160.4-3.5113.3H276 V277 E279 K317 W339H276-R315 HydrophobicContact CB-CB 4.13Å; H276-R315 WeakPolarHBondContact ND1-CB 3.5Å; V277-R315 HydrophobicContact CB-CB 4.37Å; V277-R315 HydrophobicContact CB-CG 4Å; V277-R315 HydrophobicContact CG1-CG 4.37Å; V277-R315 PolarHBondContact O-N 2.79Å; E279-R315 HydrophobicContact CG-CG 3.73Å; E279-R315 IonicContact OE1-CZ 2.62Å; E279-R315 IonicContact OE1-NE 3.34Å; E279-R315 PolarHBondContact OE1-NE 2.88Å; E279-R315 IonicContact OE1-NH2 2.72Å; E279-R315 PolarHBondContact OE1-NH2 3.24Å; E279-R315 IonicContact OE2-NH2 3.69Å; R315-K317 PolarHBondContact O-N 2.94Å; R315-W339 VanDerWaalsContact CA-CD1 3.5Å; R315-W339 HydrophobicContact CB-CB 4.3Å; R315-W339 HydrophobicContact CB-CD2 4.09Å; R315-W339 HydrophobicContact CB-CG 3.73Å; R315-W339 HydrophobicContact CG-CB 3.98Å; R315-W339 HydrophobicContact CG-CD2 3.62Å; R315-W339 HydrophobicContact CG-CE3 4.05Å; R315-W339 HydrophobicContact CG-CG 3.56Å; R315-W339 VanDerWaalsContact CZ-CZ3 3.5Å
316D98.1Very high94.1Very high26 Ų2628.6 Ų28.614%0.13916%0.157CC..THydrogen-bonded Turntrans-72.25166.764.924.5000113.1H274 S275 H276 S314 T318H274-D316 VanDerWaalsContact CA-OD2 3.3Å; H274-D316 WeakPolarHBondContact CA-OD2 3.31Å; H274-D316 VanDerWaalsContact CB-OD2 3.3Å; H274-D316 WeakPolarHBondContact CB-OD2 3.27Å; H274-D316 IonicContact CE1-OD1 3.54Å; H274-D316 IonicContact CE1-OD2 3.71Å; H274-D316 IonicContact CG-OD2 2.71Å; H274-D316 IonicContact ND1-OD1 3.36Å; H274-D316 PolarHBondContact ND1-OD1 2.91Å; H274-D316 IonicContact ND1-OD2 3.96Å; H274-D316 PolarHBondContact ND1-OD2 2.79Å; S275-D316 PolarHBondContact N-OD2 3.12Å; S275-D316 VanDerWaalsContact N-OD2 3.11Å; S275-D316 VanDerWaalsContact OG-CB 3.28Å; S275-D316 WeakPolarHBondContact OG-CB 3.26Å; H276-D316 HydrophobicContact CB-CB 3.96Å; S314-D316 WeakPolarHBondContact CB-OD1 3.4Å; S314-D316 PolarHBondContact O-N 2.62Å; S314-D316 PolarHBondContact OG-N 3.38Å; S314-D316 VanDerWaalsContact OG-N 3.09Å; S314-D316 PolarHBondContact OG-OD1 3.31Å; S314-D316 PolarHBondContact OG-OD2 3.07Å; D316-T318 PolarHBondContact O-N 3.32Å; D316-T318 WeakPolarHBondContact OD1-CB 3.42Å; D316-T318 PolarHBondContact OD1-N 2.98Å; D316-T318 PolarHBondContact OD1-OG1 2.76Å
317K98.4Very high94.1Very high100 Ų10022.2 Ų22.244%0.43514%0.142SC..SBendtrans73.18176.2-40.8171.1179.4-159.10113.8S314 R315 H336 D337S314-K317 PolarHBondContact O-N 3.25Å; R315-K317 PolarHBondContact O-N 2.94Å; K317-H336 WeakPolarHBondContact CB-O 3.16Å; K317-D337 WeakPolarHBondContact CD-O 3.46Å; K317-D337 VanDerWaalsContact CE-O 3.26Å; K317-D337 WeakPolarHBondContact CE-O 3.19Å; K317-D337 PolarHBondContact NZ-O 3.05Å
318T98.4Very high94.4Very high18 Ų1824.3 Ų24.311%0.1115%0.151CC..EExtended strand (participates in β ladder)trans-107.5157-178.574.60000112.1H274 S314 D316 T332 E334H274-T318 PolarHBondContact CE1-OG1 3.23Å; H274-T318 PolarHBondContact ND1-OG1 3.47Å; S314-T318 PolarHBondContact N-O 2.99Å; D316-T318 PolarHBondContact O-N 3.32Å; D316-T318 WeakPolarHBondContact OD1-CB 3.42Å; D316-T318 PolarHBondContact OD1-N 2.98Å; D316-T318 PolarHBondContact OD1-OG1 2.76Å; T318-T332 HydrophobicContact CG2-CG2 3.99Å; T318-E334 HydrophobicContact CG2-CG 4.12Å
319I98.6Very high94.5Very high1 Ų123.7 Ų23.71%0.00515%0.147CC..EExtended strand (participates in β ladder)trans-114.5132.9166.7-59.8164.9000107.7S312 T332 L333 V340 L352 S354 W364S312-I319 CarbonylContact O-C 3.6Å; S312-I319 WeakPolarHBondContact O-CA 3.44Å; S312-I319 WeakPolarHBondContact O-CG2 3.44Å; I319-T332 CarbonylContact O-C 3.52Å; I319-T332 WeakPolarHBondContact O-CA 3.14Å; I319-L333 HydrophobicContact CB-CB 4.18Å; I319-L333 HydrophobicContact CG2-CD1 4.3Å; I319-L333 PolarHBondContact N-O 2.9Å; I319-L333 PolarHBondContact O-N 2.98Å; I319-V340 HydrophobicContact CD1-CG1 4.3Å; I319-V340 HydrophobicContact CG1-CG1 3.99Å; I319-V340 HydrophobicContact CG1-CG2 4.05Å; I319-L352 HydrophobicContact CD1-CD2 4.5Å; I319-L352 HydrophobicContact CG2-CD2 3.68Å; I319-S354 VanDerWaalsContact CD1-CB 3.44Å; I319-W364 HydrophobicContact CD1-CZ2 4.19Å
320K98.1Very high94.3Very high17 Ų1725 Ų257%0.07415%0.154CC..EExtended strand (participates in β ladder)trans-118139.8177.7-70.4-179.7-176.2-77.80110.8D273 A311 S312 W322 T332D273-K320 HydrophobicContact CB-CD 4.01Å; D273-K320 WeakPolarHBondContact O-CE 3.44Å; D273-K320 WeakPolarHBondContact OD2-CE 3.48Å; D273-K320 IonicContact OD2-NZ 3.59Å; D273-K320 PolarHBondContact OD2-NZ 2.92Å; A311-K320 CarbonylContact C-O 3.6Å; A311-K320 WeakPolarHBondContact CA-O 3.34Å; S312-K320 PolarHBondContact N-O 2.9Å; S312-K320 PolarHBondContact O-N 3.39Å; K320-W322 HydrophobicContact CB-CZ2 3.72Å; K320-W322 HydrophobicContact CD-CH2 4.04Å; K320-W322 HydrophobicContact CD-CZ2 3.64Å; K320-W322 HydrophobicContact CG-CZ2 4.32Å; K320-W322 PolarHBondContact O-NE1 2.97Å; K320-T332 HydrophobicContact CG-CG2 4.03Å; K320-T332 PolarHBondContact NZ-OG1 2.83Å
321I97.6Very high94.3Very high0 Ų025.7 Ų25.70%016%0.157CC..EExtended strand (participates in β ladder)trans-106.1128.8172.9-53.9-55.8000108.5V292 L310 A311 L330 F331 F345 L352V292-I321 HydrophobicContact CG2-CG2 4.46Å; L310-I321 CarbonylContact O-C 3.52Å; L310-I321 WeakPolarHBondContact O-CA 3.33Å; A311-I321 HydrophobicContact CB-CD1 3.51Å; I321-L330 HydrophobicContact CG2-CD1 4.29Å; I321-L330 WeakPolarHBondContact O-CB 3.39Å; I321-L330 PolarHBondContact O-N 3.07Å; I321-F331 HydrophobicContact CB-CD2 4.32Å; I321-F331 HydrophobicContact CB-CE1 4.14Å; I321-F331 HydrophobicContact CB-CE2 3.89Å; I321-F331 HydrophobicContact CB-CZ 3.78Å; I321-F331 HydrophobicContact CG1-CD2 4.02Å; I321-F331 HydrophobicContact CG1-CE1 4.4Å; I321-F331 HydrophobicContact CG1-CE2 3.33Å; I321-F331 HydrophobicContact CG1-CZ 3.55Å; I321-F331 HydrophobicContact CG2-CE1 4.26Å; I321-F331 HydrophobicContact CG2-CZ 4.05Å; I321-F331 PolarHBondContact N-O 2.96Å; I321-F345 HydrophobicContact CD1-CE1 4.47Å; I321-F345 HydrophobicContact CD1-CZ 4.13Å; I321-L352 HydrophobicContact CD1-CD2 4.24Å
322W96.4Very high94.2Very high4 Ų427.7 Ų27.72%0.01517%0.17CC..EExtended strand (participates in β ladder)trans-118.8147.7-172.8-49.385.8000110.8I257 L271 D273 H274 F309 L310 S312 K320 C329I257-W322 HydrophobicContact CD1-CZ2 3.7Å; L271-W322 HydrophobicContact CB-CD2 4.29Å; L271-W322 HydrophobicContact CB-CE3 3.79Å; L271-W322 HydrophobicContact CB-CH2 4.12Å; L271-W322 HydrophobicContact CB-CZ3 3.7Å; L271-W322 HydrophobicContact CD1-CB 3.86Å; L271-W322 HydrophobicContact CD1-CD2 3.79Å; L271-W322 HydrophobicContact CD1-CE3 3.87Å; L271-W322 HydrophobicContact CD1-CG 3.79Å; L271-W322 HydrophobicContact CD2-CE3 4.25Å; L271-W322 HydrophobicContact CG-CE3 4.2Å; D273-W322 HydrophobicContact CB-CH2 3.39Å; D273-W322 HydrophobicContact CB-CZ2 4.37Å; D273-W322 HydrophobicContact CB-CZ3 3.9Å; H274-W322 AromaticContact CD2-CZ2 3.89Å; F309-W322 VanDerWaalsContact CA-O 3.24Å; F309-W322 WeakPolarHBondContact CA-O 3.38Å; L310-W322 HydrophobicContact CB-CB 4.33Å; L310-W322 PolarHBondContact N-O 2.94Å; L310-W322 VanDerWaalsContact O-CD1 3.31Å; L310-W322 PolarHBondContact O-N 3.23Å; S312-W322 PolarHBondContact OG-NE1 2.94Å; K320-W322 HydrophobicContact CB-CZ2 3.72Å; K320-W322 HydrophobicContact CD-CH2 4.04Å; K320-W322 HydrophobicContact CD-CZ2 3.64Å; K320-W322 HydrophobicContact CG-CZ2 4.32Å; K320-W322 PolarHBondContact O-NE1 2.97Å; W322-C329 HydrophobicContact CD2-CB 4.31Å; W322-C329 HydrophobicContact CE3-CB 3.66Å; W322-C329 HydrophobicContact CH2-CB 4.2Å; W322-C329 HydrophobicContact CZ3-CB 3.6Å
323D93.4Very high94.2Very high4 Ų427.8 Ų27.82%0.02117%0.17CC..EExtended strand (participates in β ladder)trans-113116.2169.2-178.7-6.4000109.3R305 F309 G325 V326 G327 V328 L330R305-D323 WeakPolarHBondContact CD-OD2 3.49Å; R305-D323 IonicContact CZ-OD2 2.91Å; R305-D323 IonicContact NE-OD2 2.79Å; R305-D323 IonicContact NH1-OD2 2.74Å; R305-D323 PolarHBondContact NH1-OD2 3.36Å; F309-D323 HydrophobicContact CD1-CB 3.95Å; F309-D323 HydrophobicContact CE1-CB 3.91Å; D323-G325 VanDerWaalsContact C-N 3.32Å; D323-G325 WeakPolarHBondContact OD1-CA 3.33Å; D323-G325 PolarHBondContact OD1-N 2.85Å; D323-V326 PolarHBondContact O-N 2.76Å; D323-G327 WeakPolarHBondContact O-CA 3.38Å; D323-G327 PolarHBondContact O-N 3.26Å; D323-V328 PolarHBondContact N-O 2.6Å; D323-V328 PolarHBondContact O-N 2.83Å; D323-L330 HydrophobicContact CB-CD1 4.05Å; D323-L330 HydrophobicContact CB-CD2 3.77Å; D323-L330 HydrophobicContact CB-CG 3.93Å
324L89.8Confident94.1Very high10 Ų1034.7 Ų34.75%0.05220%0.203CC..THydrogen-bonded Turntrans-80.6-13.4-179.4-66.2169.4000113.7V259 A269 L271 W283 P308 V326V259-L324 HydrophobicContact CB-CD2 4.16Å; V259-L324 HydrophobicContact CG1-CD1 4.22Å; V259-L324 HydrophobicContact CG2-CD1 3.99Å; V259-L324 HydrophobicContact CG2-CD2 3.47Å; V259-L324 VanDerWaalsContact CG2-CD2 3.47Å; V259-L324 HydrophobicContact CG2-CG 4.39Å; A269-L324 HydrophobicContact CB-CD2 4.43Å; L271-L324 HydrophobicContact CD1-CD2 3.86Å; L271-L324 HydrophobicContact CD2-CD2 4.32Å; L271-L324 HydrophobicContact CG-CD2 4.42Å; W283-L324 HydrophobicContact CE3-CD1 4.33Å; W283-L324 HydrophobicContact CH2-CD1 3.29Å; W283-L324 HydrophobicContact CZ3-CD1 3.19Å; P308-L324 HydrophobicContact CG-CB 4.15Å; P308-L324 HydrophobicContact CG-CD1 4.02Å; P308-L324 WeakPolarHBondContact O-CB 3.37Å; P308-L324 PolarHBondContact O-N 2.8Å; L324-V326 VanDerWaalsContact C-N 3.32Å
325G83.4Confident93.9Very high59 Ų5936.2 Ų36.261%0.60822%0.218SC*.THydrogen-bonded Turntrans-67.4-37.2170.700000111.4D323D323-G325 VanDerWaalsContact C-N 3.32Å; D323-G325 WeakPolarHBondContact OD1-CA 3.33Å; D323-G325 PolarHBondContact OD1-N 2.85Å
326V81.1Confident93.9Very high80 Ų8034.5 Ų34.549%0.48521%0.212SC..THydrogen-bonded Turntrans-104.3-20.9-178.9-172.30000112.4D323 L324 V328D323-V326 PolarHBondContact O-N 2.76Å; L324-V326 VanDerWaalsContact C-N 3.32Å; V326-V328 HydrophobicContact CB-CG2 4.01Å; V326-V328 HydrophobicContact CG1-CG1 4.06Å; V326-V328 HydrophobicContact CG1-CG2 3.78Å
327G83.9Confident93.8Very high35 Ų3538.7 Ų38.736%0.36123%0.234SC..THydrogen-bonded Turntrans75.826.6-179.400000114D323D323-G327 WeakPolarHBondContact O-CA 3.38Å; D323-G327 PolarHBondContact O-N 3.26Å
328V88.3Confident93.8Very high63 Ų6336 Ų3638%0.38223%0.225SC..EExtended strand (participates in β ladder)trans-123.8153.5-174.7-61.40000112.4D323 V326 L330D323-V328 PolarHBondContact N-O 2.6Å; D323-V328 PolarHBondContact O-N 2.83Å; V326-V328 HydrophobicContact CB-CG2 4.01Å; V326-V328 HydrophobicContact CG1-CG1 4.06Å; V326-V328 HydrophobicContact CG1-CG2 3.78Å; V328-L330 HydrophobicContact CG2-CD2 4.41Å; V328-L330 PolarHBondContact O-N 3.15Å
329C93.5Very high93.8Very high34 Ų3438.9 Ų38.923%0.2323%0.234CC..EExtended strand (participates in β ladder)trans-71.2123.3164.3-179.60000108.8D273 W322D273-C329 HydrophobicContact CB-CB 4.49Å; W322-C329 HydrophobicContact CD2-CB 4.31Å; W322-C329 HydrophobicContact CE3-CB 3.66Å; W322-C329 HydrophobicContact CH2-CB 4.2Å; W322-C329 HydrophobicContact CZ3-CB 3.6Å
330L92.9Very high93.8Very high31 Ų3138.9 Ų38.916%0.16223%0.233CC..EExtended strand (participates in β ladder)trans-78.2-47.9178.4-63.6-177.8000111.7V292 V296 F309 I321 D323 V328V292-L330 HydrophobicContact CG1-CD1 3.43Å; V292-L330 VanDerWaalsContact CG1-CD1 3.43Å; V296-L330 HydrophobicContact CG2-CB 4.17Å; V296-L330 HydrophobicContact CG2-CD1 4.04Å; V296-L330 HydrophobicContact CG2-CD2 4.19Å; V296-L330 HydrophobicContact CG2-CG 4.39Å; F309-L330 HydrophobicContact CD1-CD1 3.96Å; F309-L330 HydrophobicContact CE1-CD1 3.87Å; I321-L330 HydrophobicContact CG2-CD1 4.29Å; I321-L330 WeakPolarHBondContact O-CB 3.39Å; I321-L330 PolarHBondContact O-N 3.07Å; D323-L330 HydrophobicContact CB-CD1 4.05Å; D323-L330 HydrophobicContact CB-CD2 3.77Å; D323-L330 HydrophobicContact CB-CG 3.93Å; V328-L330 HydrophobicContact CG2-CD2 4.41Å; V328-L330 PolarHBondContact O-N 3.15Å
331F95.2Very high93.8Very high14 Ų1440.9 Ų40.96%0.06124%0.24CC..EExtended strand (participates in β ladder)trans-162.7158.7178.553.5-92000110.7A295 V296 I321 L333 I366 K369A295-F331 HydrophobicContact CB-CD1 4.39Å; A295-F331 HydrophobicContact CB-CE1 3.76Å; A295-F331 HydrophobicContact CB-CZ 4.08Å; V296-F331 HydrophobicContact CG2-CD1 4.46Å; I321-F331 HydrophobicContact CB-CD2 4.32Å; I321-F331 HydrophobicContact CB-CE1 4.14Å; I321-F331 HydrophobicContact CB-CE2 3.89Å; I321-F331 HydrophobicContact CB-CZ 3.78Å; I321-F331 HydrophobicContact CG1-CD2 4.02Å; I321-F331 HydrophobicContact CG1-CE1 4.4Å; I321-F331 HydrophobicContact CG1-CE2 3.33Å; I321-F331 HydrophobicContact CG1-CZ 3.55Å; I321-F331 HydrophobicContact CG2-CE1 4.26Å; I321-F331 HydrophobicContact CG2-CZ 4.05Å; I321-F331 PolarHBondContact N-O 2.96Å; F331-L333 HydrophobicContact CD2-CD2 3.94Å; F331-L333 HydrophobicContact CD2-CG 4.27Å; F331-L333 HydrophobicContact CE2-CD2 3.95Å; F331-L333 HydrophobicContact CE2-CG 4.25Å; F331-I366 HydrophobicContact CZ-CG2 4.22Å; F331-K369 HydrophobicContact CB-CD 4.02Å; F331-K369 HydrophobicContact CD1-CD 4.46Å; F331-K369 HydrophobicContact CD2-CD 4.13Å; F331-K369 HydrophobicContact CD2-CG 3.98Å; F331-K369 HydrophobicContact CE2-CG 4.2Å; F331-K369 HydrophobicContact CG-CD 3.96Å; F331-K369 HydrophobicContact CG-CG 4.28Å
332T97.4Very high93.9Very high42 Ų4241 Ų4126%0.25824%0.242SC..EExtended strand (participates in β ladder)trans-110.3135.6176.8-54.10000108.7T318 I319 K320 E334T318-T332 HydrophobicContact CG2-CG2 3.99Å; I319-T332 CarbonylContact O-C 3.52Å; I319-T332 WeakPolarHBondContact O-CA 3.14Å; K320-T332 HydrophobicContact CG-CG2 4.03Å; K320-T332 PolarHBondContact NZ-OG1 2.83Å; T332-E334 HydrophobicContact CG2-CG 3.89Å
333L97.9Very high93.9Very high2 Ų241.1 Ų41.11%0.0124%0.242CC..EExtended strand (participates in β ladder)trans-101.8120.1170.4-54173.4000107.7I319 F331 L352 W364 K369I319-L333 HydrophobicContact CB-CB 4.18Å; I319-L333 HydrophobicContact CG2-CD1 4.3Å; I319-L333 PolarHBondContact N-O 2.9Å; I319-L333 PolarHBondContact O-N 2.98Å; F331-L333 HydrophobicContact CD2-CD2 3.94Å; F331-L333 HydrophobicContact CD2-CG 4.27Å; F331-L333 HydrophobicContact CE2-CD2 3.95Å; F331-L333 HydrophobicContact CE2-CG 4.25Å; L333-L352 HydrophobicContact CD1-CD2 4.09Å; L333-W364 HydrophobicContact CB-CD2 4.31Å; L333-W364 HydrophobicContact CB-CE3 3.84Å; L333-W364 HydrophobicContact CB-CZ3 3.97Å; L333-W364 HydrophobicContact CD1-CB 3.96Å; L333-W364 HydrophobicContact CD1-CD2 4.19Å; L333-W364 HydrophobicContact CD1-CE3 4.27Å; L333-W364 HydrophobicContact CD1-CG 4.05Å; L333-W364 HydrophobicContact CD2-CE3 4.49Å; L333-W364 HydrophobicContact CG-CE3 4.43Å; L333-K369 HydrophobicContact CD2-CB 3.84Å
334E96.9Very high94.1Very high146 Ų14644.6 Ų44.668%0.68226%0.255SS*.EExtended strand (participates in β ladder)trans-116.5142.4-177.9-62.3-177.3-17800109.8T318 T332 W364T318-E334 HydrophobicContact CG2-CG 4.12Å; T332-E334 HydrophobicContact CG2-CG 3.89Å; E334-W364 WeakPolarHBondContact O-CZ3 3.27Å
335G94.7Very high94.5Very high31 Ų3145 Ų4532%0.3226%0.256SS..  trans157.6-24.5172.900000114.2R362G335-R362 PolarHBondContact O-NH1 2.84Å; G335-R362 PolarHBondContact O-NH2 3.04Å
336H97.9Very high95Very high8 Ų842.4 Ų42.44%0.03723%0.228CC..  trans-62.7143.4170.5-85.7-62.5000110.3K317 V340 S354 S356 D358 T360 R362 W364K317-H336 WeakPolarHBondContact CB-O 3.16Å; H336-V340 HydrophobicContact CB-CG2 4.25Å; H336-S354 PolarHBondContact NE2-OG 2.87Å; H336-S356 WeakPolarHBondContact CE1-CB 3.34Å; H336-S356 WeakPolarHBondContact ND1-CB 3.48Å; H336-D358 WeakPolarHBondContact CA-OD2 3.32Å; H336-D358 IonicContact CE1-OD1 3.41Å; H336-D358 IonicContact CE1-OD2 3.57Å; H336-D358 IonicContact CG-OD2 2.72Å; H336-D358 IonicContact ND1-OD1 3.44Å; H336-D358 PolarHBondContact ND1-OD1 2.76Å; H336-D358 IonicContact ND1-OD2 3.87Å; H336-D358 PolarHBondContact ND1-OD2 3.43Å; H336-T360 PolarHBondContact CE1-OG1 3.49Å; H336-R362 VanDerWaalsContact CE1-CD 3.46Å; H336-R362 WeakPolarHBondContact CE1-CD 3.43Å; H336-R362 PolarHBondContact ND1-NE 2.87Å; H336-W364 AromaticContact CD2-CZ2 3.74Å
337D97Very high95.5Very high114 Ų11440.3 Ų40.361%0.6122%0.217SC*.SBendtrans-95.7-5.2-178.1-66.3-51000112.7K317 D358 R362K317-D337 WeakPolarHBondContact CD-O 3.46Å; K317-D337 VanDerWaalsContact CE-O 3.26Å; K317-D337 WeakPolarHBondContact CE-O 3.19Å; K317-D337 PolarHBondContact NZ-O 3.05Å; D337-D358 HydrophobicContact CB-CB 4.26Å; D337-D358 PolarHBondContact N-OD2 2.97Å; D337-R362 IonicContact OD2-NH2 2.7Å
338N97.9Very high95.9Very high44 Ų4439 Ų3924%0.23520%0.204CC..SBendtrans-149.4-175.5-178.7-149.8-11000111.5V340 S356 D357 D358N338-V340 PolarHBondContact O-N 3.22Å; N338-S356 PolarHBondContact O-OG 2.75Å; N338-S356 VanDerWaalsContact O-OG 3.11Å; N338-D357 HydrophobicContact CB-CB 3.96Å; N338-D357 WeakPolarHBondContact ND2-CB 3.48Å; N338-D357 PolarHBondContact ND2-O 3.13Å; N338-D358 HydrophobicContact CB-CB 3.85Å
339W98.4Very high96.1Very high78 Ų7836 Ų3630%0.29519%0.185SC..  trans-58.8130.8-172.2-55.9-10.5000113.4R315 R341 S356 D357R315-W339 VanDerWaalsContact CA-CD1 3.5Å; R315-W339 HydrophobicContact CB-CB 4.3Å; R315-W339 HydrophobicContact CB-CD2 4.09Å; R315-W339 HydrophobicContact CB-CG 3.73Å; R315-W339 HydrophobicContact CG-CB 3.98Å; R315-W339 HydrophobicContact CG-CD2 3.62Å; R315-W339 HydrophobicContact CG-CE3 4.05Å; R315-W339 HydrophobicContact CG-CG 3.56Å; R315-W339 VanDerWaalsContact CZ-CZ3 3.5Å; W339-R341 VanDerWaalsContact CE3-NH2 3.31Å; W339-R341 PolarHBondContact O-N 2.79Å; W339-S356 CarbonylContact O-C 3.58Å; W339-S356 WeakPolarHBondContact O-CA 3.02Å; W339-S356 WeakPolarHBondContact O-CB 3.21Å; W339-S356 PolarHBondContact O-OG 3.07Å; W339-D357 HydrophobicContact CB-CB 4.26Å; W339-D357 PolarHBondContact O-N 2.94Å
340V98.6Very high96.1Very high0 Ų036.5 Ų36.50%018%0.184CC..EExtended strand (participates in β ladder)trans-82.7114.4174.7-1750000109.3E279 S314 I319 H336 N338E279-V340 WeakPolarHBondContact CB-O 3.44Å; S314-V340 PolarHBondContact O-N 3.41Å; I319-V340 HydrophobicContact CD1-CG1 4.3Å; I319-V340 HydrophobicContact CG1-CG1 3.99Å; I319-V340 HydrophobicContact CG1-CG2 4.05Å; H336-V340 HydrophobicContact CB-CG2 4.25Å; N338-V340 PolarHBondContact O-N 3.22Å
341R98.2Very high96.3Very high59 Ų5935.9 Ų35.922%0.22318%0.179CC..EExtended strand (participates in β ladder)trans-95.3-33-173-67.3-59.5-168.3150.113.1114.4E279 C280 W339 A355 D357 V382 T383E279-R341 IonicContact OE2-CZ 3.67Å; E279-R341 IonicContact OE2-NH1 2.78Å; E279-R341 PolarHBondContact OE2-NH1 3.5Å; C280-R341 VanDerWaalsContact CB-O 3.32Å; C280-R341 WeakPolarHBondContact CB-O 3.35Å; C280-R341 VanDerWaalsContact SG-C 3.53Å; C280-R341 PolarHBondContact SG-O 3.23Å; W339-R341 VanDerWaalsContact CE3-NH2 3.31Å; W339-R341 PolarHBondContact O-N 2.79Å; R341-A355 PolarHBondContact N-O 2.93Å; R341-D357 WeakPolarHBondContact CG-OD1 3.37Å; R341-D357 IonicContact CZ-OD1 2.79Å; R341-D357 IonicContact CZ-OD2 3.26Å; R341-D357 VanDerWaalsContact NE-CG 3.26Å; R341-D357 IonicContact NE-OD1 3.58Å; R341-D357 PolarHBondContact NE-OD1 2.73Å; R341-D357 IonicContact NE-OD2 3.65Å; R341-D357 PolarHBondContact NE-OD2 3.15Å; R341-D357 IonicContact NH2-OD1 3.93Å; R341-D357 IonicContact NH2-OD2 2.91Å; R341-D357 PolarHBondContact NH2-OD2 3.4Å; R341-V382 WeakPolarHBondContact CB-O 3.31Å; R341-V382 WeakPolarHBondContact CG-O 3.48Å; R341-T383 WeakPolarHBondContact CB-O 3.37Å
342S98.4Very high96.4Very high4 Ų435.2 Ų35.23%0.02818%0.176CC..EExtended strand (participates in β ladder)trans-150.6152.6-179.8-171.20000110.8S354 A355 L385S342-S354 CarbonylContact O-C 3.52Å; S342-S354 VanDerWaalsContact O-CA 3.3Å; S342-S354 WeakPolarHBondContact O-CA 3.31Å; S342-A355 PolarHBondContact N-O 3.02Å; S342-A355 PolarHBondContact O-N 2.95Å; S342-L385 WeakPolarHBondContact O-CD2 3.43Å; S342-L385 PolarHBondContact OG-N 3.38Å; S342-L385 PolarHBondContact OG-O 3.33Å
343L97.9Very high96.4Very high5 Ų533.2 Ų33.23%0.02616%0.164CC..EExtended strand (participates in β ladder)trans-151.6145.8176.362.297000110.9C280 C282 A311 L352 I353C280-L343 VanDerWaalsContact SG-CD2 3.55Å; C282-L343 HydrophobicContact CB-CD1 3.28Å; C282-L343 HydrophobicContact CB-CG 4.37Å; A311-L343 HydrophobicContact CB-CD1 3.46Å; A311-L343 VanDerWaalsContact CB-CD1 3.46Å; L343-L352 HydrophobicContact CB-CD1 4.46Å; L343-L352 HydrophobicContact CD1-CD1 4.05Å; L343-I353 CarbonylContact C-O 3.55Å; L343-I353 WeakPolarHBondContact CA-O 3.4Å
344R97.7Very high96.4Very high78 Ų7833.1 Ų33.129%0.29416%0.163SC..EExtended strand (participates in β ladder)trans-143.2139.1174.6-75.8-63.6-152171.56.5110.4L352 I353 L385 D386 F387R344-L352 WeakPolarHBondContact O-CD1 3.24Å; R344-I353 PolarHBondContact N-O 3.39Å; R344-I353 PolarHBondContact O-N 2.7Å; R344-L385 HydrophobicContact CB-CD1 3.67Å; R344-L385 HydrophobicContact CG-CD1 3.75Å; R344-D386 IonicContact CZ-OD1 3.94Å; R344-D386 VanDerWaalsContact CZ-OD1 3.26Å; R344-D386 IonicContact NE-OD1 3.11Å; R344-D386 PolarHBondContact NE-OD1 3.13Å; R344-D386 IonicContact NH2-OD1 3.4Å; R344-D386 PolarHBondContact NH2-OD1 3.4Å; R344-F387 HydrophobicContact CB-CB 4.44Å
345F96.5Very high96.5Very high17 Ų1726.1 Ų26.18%0.07513%0.131CC..EExtended strand (participates in β ladder)trans-71141.3166.9-72.1-77.1000110.2W283 A284 V288 A311 I321 L352 I366W283-F345 WeakPolarHBondContact O-CD2 3.28Å; A284-F345 HydrophobicContact CB-CD2 4.1Å; A284-F345 HydrophobicContact CB-CE2 3.66Å; A284-F345 HydrophobicContact CB-CZ 3.91Å; V288-F345 HydrophobicContact CB-CD1 4.45Å; V288-F345 HydrophobicContact CG1-CD1 3.92Å; V288-F345 HydrophobicContact CG1-CE1 3.68Å; V288-F345 HydrophobicContact CG1-CZ 4.31Å; V288-F345 HydrophobicContact CG2-CB 3.95Å; V288-F345 HydrophobicContact CG2-CD1 3.59Å; V288-F345 HydrophobicContact CG2-CE1 4.17Å; V288-F345 HydrophobicContact CG2-CG 3.78Å; A311-F345 HydrophobicContact CB-CE2 3.63Å; A311-F345 HydrophobicContact CB-CZ 3.57Å; I321-F345 HydrophobicContact CD1-CE1 4.47Å; I321-F345 HydrophobicContact CD1-CZ 4.13Å; F345-L352 HydrophobicContact CD1-CB 4.2Å; F345-L352 HydrophobicContact CD1-CD1 3.66Å; F345-L352 HydrophobicContact CD2-CD1 4.14Å; F345-L352 HydrophobicContact CE1-CB 4.35Å; F345-L352 HydrophobicContact CE1-CD1 3.8Å; F345-L352 HydrophobicContact CE2-CD1 4.27Å; F345-L352 HydrophobicContact CG-CD1 3.86Å; F345-L352 HydrophobicContact CZ-CD1 4.12Å; F345-I366 HydrophobicContact CE1-CD1 4.16Å
346H94.9Very high96.7Very high5 Ų524.7 Ų24.72%0.02312%0.116CC..  trans-64.2141.8168.9-176-90.1000109.7L91 W93 G348 G349 Y351 F387L91-H346 PolarHBondContact O-CE1 3.48Å; L91-H346 PolarHBondContact O-ND1 2.98Å; W93-H346 PolarHBondContact O-NE2 3.48Å; H346-G348 PolarHBondContact ND1-N 3.19Å; H346-G348 PolarHBondContact O-N 3.35Å; H346-G349 WeakPolarHBondContact O-CA 3.4Å; H346-G349 PolarHBondContact O-N 2.93Å; H346-Y351 HydrophobicContact CB-CD2 4.5Å; H346-Y351 WeakPolarHBondContact CB-O 3.27Å; H346-Y351 PolarHBondContact N-O 2.8Å; H346-F387 AromaticContact CD2-CE1 3.91Å; H346-F387 AromaticContact CD2-CE2 3.42Å; H346-F387 VanDerWaalsContact CD2-CE2 3.42Å; H346-F387 WeakPolarHBondContact CD2-CE2 3.4Å; H346-F387 AromaticContact CD2-CZ 3.24Å; H346-F387 WeakPolarHBondContact CD2-CZ 3.48Å; H346-F387 AromaticContact NE2-CE1 3.92Å; H346-F387 AromaticContact NE2-CZ 3.37Å; H346-F387 WeakPolarHBondContact NE2-CZ 3.48Å
347P91.8Very high96.7Very high37 Ų3724.5 Ų24.524%0.2412%0.115CC..THydrogen-bonded Turntrans-55.7-36.1-179.5-28.235.3000113.9A287 G349 F387A287-P347 WeakPolarHBondContact CB-O 3.4Å; P347-G349 PolarHBondContact O-N 2.84Å; P347-F387 VanDerWaalsContact CD-CE1 3.4Å; P347-F387 HydrophobicContact CG-CD1 3.56Å; P347-F387 HydrophobicContact CG-CE1 3.77Å
348G91.1Very high96.7Very high8 Ų820.4 Ų20.48%0.0829%0.093CC..THydrogen-bonded Turntrans-75.60.8173.600000115.7Y291 H346 K350Y291-G348 VanDerWaalsContact CE2-O 3.29Å; Y291-G348 WeakPolarHBondContact CE2-O 3.42Å; H346-G348 PolarHBondContact ND1-N 3.19Å; H346-G348 PolarHBondContact O-N 3.35Å; G348-K350 PolarHBondContact O-N 3.36Å
349G92.5Very high96.7Very high0 Ų022.8 Ų22.80%010%0.101CC..SBendtrans75.4-22.7172.900000117.2Y291 H346 P347 Y351Y291-G349 WeakPolarHBondContact CD2-O 3.39Å; H346-G349 WeakPolarHBondContact O-CA 3.4Å; H346-G349 PolarHBondContact O-N 2.93Å; P347-G349 PolarHBondContact O-N 2.84Å; G349-Y351 VanDerWaalsContact C-N 3.29Å; G349-Y351 PolarHBondContact O-N 2.88Å
350K94.3Very high96.7Very high44 Ų4419.7 Ų19.719%0.1919%0.091CC..SBendtrans-63.3-32.3-176.8-171.6174.7-177.9-1770114E92 Y291 G348 I366E92-K350 IonicContact OE1-NZ 3.74Å; E92-K350 PolarHBondContact OE1-NZ 2.86Å; Y291-K350 HydrophobicContact CD1-CB 4.29Å; Y291-K350 HydrophobicContact CD1-CG 4.22Å; Y291-K350 HydrophobicContact CD2-CB 4.43Å; Y291-K350 HydrophobicContact CE1-CB 3.86Å; Y291-K350 HydrophobicContact CE1-CD 4.39Å; Y291-K350 HydrophobicContact CE1-CG 3.88Å; Y291-K350 HydrophobicContact CE2-CB 4.03Å; Y291-K350 VanDerWaalsContact CE2-N 3.31Å; G348-K350 PolarHBondContact O-N 3.36Å; K350-I366 PolarHBondContact O-N 3.07Å; K350-I366 VanDerWaalsContact O-N 3.1Å
351Y96.2Very high96.7Very high17 Ų1719.7 Ų19.77%0.0679%0.091CC..EExtended strand (participates in β ladder)trans-119.2152.5-174.3-49.6-64000112.3I94 H346 G349 V363 W364 N365 L372I94-Y351 HydrophobicContact CG2-CD2 3.6Å; I94-Y351 HydrophobicContact CG2-CE2 3.52Å; I94-Y351 HydrophobicContact CG2-CG 4.2Å; H346-Y351 HydrophobicContact CB-CD2 4.5Å; H346-Y351 WeakPolarHBondContact CB-O 3.27Å; H346-Y351 PolarHBondContact N-O 2.8Å; G349-Y351 VanDerWaalsContact C-N 3.29Å; G349-Y351 PolarHBondContact O-N 2.88Å; Y351-V363 HydrophobicContact CD1-CG1 4.18Å; Y351-V363 HydrophobicContact CG-CG1 4.09Å; Y351-W364 CarbonylContact C-O 3.48Å; Y351-W364 WeakPolarHBondContact CA-O 3.34Å; Y351-N365 HydrophobicContact CD1-CB 4.29Å; Y351-N365 HydrophobicContact CE1-CB 4.37Å; Y351-L372 HydrophobicContact CD1-CD2 4.25Å; Y351-L372 HydrophobicContact CE1-CD2 3.64Å
352L97.8Very high96.7Very high0 Ų018.3 Ų18.30%09%0.086CC..EExtended strand (participates in β ladder)trans-117.6138.7163.1176.378.2000107.7A311 I319 I321 L333 L343 R344 F345 W364 I366A311-L352 HydrophobicContact CB-CD1 4.31Å; A311-L352 HydrophobicContact CB-CD2 4.43Å; I319-L352 HydrophobicContact CD1-CD2 4.5Å; I319-L352 HydrophobicContact CG2-CD2 3.68Å; I321-L352 HydrophobicContact CD1-CD2 4.24Å; L333-L352 HydrophobicContact CD1-CD2 4.09Å; L343-L352 HydrophobicContact CB-CD1 4.46Å; L343-L352 HydrophobicContact CD1-CD1 4.05Å; R344-L352 WeakPolarHBondContact O-CD1 3.24Å; F345-L352 HydrophobicContact CD1-CB 4.2Å; F345-L352 HydrophobicContact CD1-CD1 3.66Å; F345-L352 HydrophobicContact CD2-CD1 4.14Å; F345-L352 HydrophobicContact CE1-CB 4.35Å; F345-L352 HydrophobicContact CE1-CD1 3.8Å; F345-L352 HydrophobicContact CE2-CD1 4.27Å; F345-L352 HydrophobicContact CG-CD1 3.86Å; F345-L352 HydrophobicContact CZ-CD1 4.12Å; L352-W364 HydrophobicContact CB-CB 4.35Å; L352-W364 PolarHBondContact N-O 3.03Å; L352-W364 PolarHBondContact O-N 2.78Å; L352-I366 HydrophobicContact CB-CD1 3.69Å; L352-I366 HydrophobicContact CB-CG1 4.36Å
353I97.9Very high96.6Very high0 Ų018.1 Ų18.10%08%0.084CC..EExtended strand (participates in β ladder)trans-114.8135.1177.4-65.9161.4000108.2P95 L343 R344 M361 R362 V363 L385 F387 V394P95-I353 HydrophobicContact CG-CD1 4.38Å; L343-I353 CarbonylContact C-O 3.55Å; L343-I353 WeakPolarHBondContact CA-O 3.4Å; R344-I353 PolarHBondContact N-O 3.39Å; R344-I353 PolarHBondContact O-N 2.7Å; I353-M361 HydrophobicContact CG2-CG 3.52Å; I353-M361 HydrophobicContact CG2-SD 3.56Å; I353-M361 VanDerWaalsContact CG2-SD 3.56Å; I353-R362 CarbonylContact C-O 3.55Å; I353-R362 VanDerWaalsContact CA-O 3.27Å; I353-R362 WeakPolarHBondContact CA-O 3.26Å; I353-V363 HydrophobicContact CG1-CG1 4.3Å; I353-V363 HydrophobicContact CG1-CG2 4.21Å; I353-L385 HydrophobicContact CB-CD1 4.39Å; I353-L385 HydrophobicContact CG2-CD1 4.03Å; I353-L385 HydrophobicContact CG2-CD2 4.12Å; I353-F387 HydrophobicContact CD1-CD2 3.29Å; I353-F387 HydrophobicContact CD1-CE2 3.35Å; I353-V394 HydrophobicContact CD1-CG2 4.26Å
354S98.5Very high96.6Very high0 Ų018 Ų180%08%0.084CC..EExtended strand (participates in β ladder)trans-130.4153.4179.661.30000111.7I319 H336 S342 M361 R362 W364 L385I319-S354 VanDerWaalsContact CD1-CB 3.44Å; H336-S354 PolarHBondContact NE2-OG 2.87Å; S342-S354 CarbonylContact O-C 3.52Å; S342-S354 VanDerWaalsContact O-CA 3.3Å; S342-S354 WeakPolarHBondContact O-CA 3.31Å; S354-M361 CarbonylContact O-C 3.51Å; S354-M361 WeakPolarHBondContact O-CA 3.28Å; S354-M361 WeakPolarHBondContact O-CG 3.43Å; S354-R362 PolarHBondContact N-O 2.94Å; S354-R362 PolarHBondContact O-N 3.1Å; S354-W364 PolarHBondContact OG-NE1 2.83Å; S354-L385 VanDerWaalsContact CA-CD2 3.47Å
355A98.3Very high96.6Very high0 Ų015.1 Ų15.10%07%0.074CC..EExtended strand (participates in β ladder)trans-125.3143.1176.800000109R341 S342 V382 L385R341-A355 PolarHBondContact N-O 2.93Å; S342-A355 PolarHBondContact N-O 3.02Å; S342-A355 PolarHBondContact O-N 2.95Å; A355-V382 HydrophobicContact CB-CB 3.85Å; A355-V382 HydrophobicContact CB-CG1 3.5Å; A355-L385 HydrophobicContact CB-CB 4.14Å; A355-L385 HydrophobicContact CB-CD2 3.45Å; A355-L385 VanDerWaalsContact CB-CD2 3.45Å; A355-L385 HydrophobicContact CB-CG 4.32Å
356S98.5Very high96.6Very high0 Ų014.3 Ų14.30%07%0.071CC..EExtended strand (participates in β ladder)trans-143160.8-171.7171.70000113.4H336 N338 W339 D358 K359 T360 V382H336-S356 WeakPolarHBondContact CE1-CB 3.34Å; H336-S356 WeakPolarHBondContact ND1-CB 3.48Å; N338-S356 PolarHBondContact O-OG 2.75Å; N338-S356 VanDerWaalsContact O-OG 3.11Å; W339-S356 CarbonylContact O-C 3.58Å; W339-S356 WeakPolarHBondContact O-CA 3.02Å; W339-S356 WeakPolarHBondContact O-CB 3.21Å; W339-S356 PolarHBondContact O-OG 3.07Å; S356-D358 VanDerWaalsContact CB-OD1 3.27Å; S356-D358 WeakPolarHBondContact CB-OD1 3.27Å; S356-D358 PolarHBondContact O-N 3.26Å; S356-D358 VanDerWaalsContact O-N 3.17Å; S356-D358 PolarHBondContact OG-N 3.21Å; S356-D358 VanDerWaalsContact OG-N 3.12Å; S356-D358 PolarHBondContact OG-OD1 3.07Å; S356-K359 PolarHBondContact O-N 2.95Å; S356-K359 VanDerWaalsContact O-N 3.13Å; S356-T360 PolarHBondContact N-O 2.8Å; S356-V382 PolarHBondContact O-N 2.96Å; S356-V382 VanDerWaalsContact O-N 3.11Å
357D98.4Very high96.6Very high5 Ų515 Ų153%0.0278%0.076CC..THydrogen-bonded Turntrans-66.9-1.9168.2-73.26.7000112.4N338 W339 R341 K359 F381N338-D357 HydrophobicContact CB-CB 3.96Å; N338-D357 WeakPolarHBondContact ND2-CB 3.48Å; N338-D357 PolarHBondContact ND2-O 3.13Å; W339-D357 HydrophobicContact CB-CB 4.26Å; W339-D357 PolarHBondContact O-N 2.94Å; R341-D357 WeakPolarHBondContact CG-OD1 3.37Å; R341-D357 IonicContact CZ-OD1 2.79Å; R341-D357 IonicContact CZ-OD2 3.26Å; R341-D357 VanDerWaalsContact NE-CG 3.26Å; R341-D357 IonicContact NE-OD1 3.58Å; R341-D357 PolarHBondContact NE-OD1 2.73Å; R341-D357 IonicContact NE-OD2 3.65Å; R341-D357 PolarHBondContact NE-OD2 3.15Å; R341-D357 IonicContact NH2-OD1 3.93Å; R341-D357 IonicContact NH2-OD2 2.91Å; R341-D357 PolarHBondContact NH2-OD2 3.4Å; D357-K359 PolarHBondContact O-N 3.08Å; D357-F381 HydrophobicContact CB-CB 4.18Å; D357-F381 HydrophobicContact CB-CD1 3.89Å; D357-F381 HydrophobicContact CB-CD2 4.23Å; D357-F381 HydrophobicContact CB-CE1 4.31Å; D357-F381 HydrophobicContact CB-CG 3.84Å; D357-F381 WeakPolarHBondContact O-CD1 3.31Å; D357-F381 WeakPolarHBondContact O-CE1 3.37Å; D357-F381 WeakPolarHBondContact OD1-CB 3.48Å
358D97.8Very high96.7Very high28 Ų2816.9 Ų16.915%0.159%0.087CC..THydrogen-bonded Turntrans-81.58.2167.871.86.4000112.6H336 D337 N338 S356 T360 R362H336-D358 WeakPolarHBondContact CA-OD2 3.32Å; H336-D358 IonicContact CE1-OD1 3.41Å; H336-D358 IonicContact CE1-OD2 3.57Å; H336-D358 IonicContact CG-OD2 2.72Å; H336-D358 IonicContact ND1-OD1 3.44Å; H336-D358 PolarHBondContact ND1-OD1 2.76Å; H336-D358 IonicContact ND1-OD2 3.87Å; H336-D358 PolarHBondContact ND1-OD2 3.43Å; D337-D358 HydrophobicContact CB-CB 4.26Å; D337-D358 PolarHBondContact N-OD2 2.97Å; N338-D358 HydrophobicContact CB-CB 3.85Å; S356-D358 VanDerWaalsContact CB-OD1 3.27Å; S356-D358 WeakPolarHBondContact CB-OD1 3.27Å; S356-D358 PolarHBondContact O-N 3.26Å; S356-D358 VanDerWaalsContact O-N 3.17Å; S356-D358 PolarHBondContact OG-N 3.21Å; S356-D358 VanDerWaalsContact OG-N 3.12Å; S356-D358 PolarHBondContact OG-OD1 3.07Å; D358-T360 PolarHBondContact O-N 3.15Å; D358-T360 WeakPolarHBondContact OD1-CA 3.11Å; D358-T360 VanDerWaalsContact OD1-CB 3.31Å; D358-T360 WeakPolarHBondContact OD1-CB 3.42Å; D358-T360 PolarHBondContact OD1-N 3.33Å; D358-T360 PolarHBondContact OD1-OG1 2.85Å; D358-T360 PolarHBondContact OD2-OG1 2.73Å; D358-R362 IonicContact OD2-NE 2.74Å; D358-R362 IonicContact OD2-NH2 3.9Å
359K98.2Very high96.9Very high94 Ų9420.4 Ų20.441%0.40910%0.1SC..SBendtrans72.33.2179.3-41.7177.4178.2-165.20114.2S356 D357 A377 H378 N379 H380S356-K359 PolarHBondContact O-N 2.95Å; S356-K359 VanDerWaalsContact O-N 3.13Å; D357-K359 PolarHBondContact O-N 3.08Å; K359-A377 PolarHBondContact O-N 2.73Å; K359-A377 VanDerWaalsContact O-N 3.08Å; K359-H378 WeakPolarHBondContact CB-O 3.31Å; K359-H378 PolarHBondContact O-N 3.44Å; K359-N379 WeakPolarHBondContact CD-O 3.31Å; K359-N379 WeakPolarHBondContact CE-O 3.33Å; K359-N379 PolarHBondContact NZ-O 3.13Å; K359-H380 WeakPolarHBondContact CA-O 3.5Å; K359-H380 WeakPolarHBondContact CB-O 3.48Å; K359-H380 WeakPolarHBondContact CG-O 3.36Å
360T98Very high97Very high13 Ų1329.4 Ų29.48%0.0813%0.134CC..EExtended strand (participates in β ladder)trans-103.1148.9-176.2730000112.2H336 S356 D358 R362 I375H336-T360 PolarHBondContact CE1-OG1 3.49Å; S356-T360 PolarHBondContact N-O 2.8Å; D358-T360 PolarHBondContact O-N 3.15Å; D358-T360 WeakPolarHBondContact OD1-CA 3.11Å; D358-T360 VanDerWaalsContact OD1-CB 3.31Å; D358-T360 WeakPolarHBondContact OD1-CB 3.42Å; D358-T360 PolarHBondContact OD1-N 3.33Å; D358-T360 PolarHBondContact OD1-OG1 2.85Å; D358-T360 PolarHBondContact OD2-OG1 2.73Å; T360-R362 PolarHBondContact OG1-NE 3.09Å; T360-I375 CarbonylContact C-O 3.53Å; T360-I375 WeakPolarHBondContact CA-O 3.36Å; T360-I375 WeakPolarHBondContact CB-O 3.4Å
361M97.6Very high97.1Very high0 Ų029.5 Ų29.50%014%0.14CC..EExtended strand (participates in β ladder)trans-102.8130.8155.4178178.860.800108.2P95 I353 S354 I375 A377 V394 T396 W406P95-M361 HydrophobicContact CB-CE 3.6Å; P95-M361 HydrophobicContact CG-CE 3.47Å; P95-M361 VanDerWaalsContact CG-CE 3.47Å; P95-M361 HydrophobicContact CG-SD 4.3Å; I353-M361 HydrophobicContact CG2-CG 3.52Å; I353-M361 HydrophobicContact CG2-SD 3.56Å; I353-M361 VanDerWaalsContact CG2-SD 3.56Å; S354-M361 CarbonylContact O-C 3.51Å; S354-M361 WeakPolarHBondContact O-CA 3.28Å; S354-M361 WeakPolarHBondContact O-CG 3.43Å; M361-I375 HydrophobicContact CE-CD1 4.09Å; M361-I375 PolarHBondContact N-O 3.01Å; M361-I375 PolarHBondContact O-N 3.28Å; M361-A377 HydrophobicContact CB-CB 3.97Å; M361-V394 HydrophobicContact CE-CG1 4.22Å; M361-V394 HydrophobicContact SD-CG1 3.55Å; M361-V394 VanDerWaalsContact SD-CG1 3.55Å; M361-T396 HydrophobicContact CB-CG2 4.45Å; M361-T396 HydrophobicContact CE-CG2 4.43Å; M361-T396 HydrophobicContact SD-CG2 3.63Å; M361-W406 HydrophobicContact CE-CD2 4.35Å; M361-W406 HydrophobicContact CE-CG 4.21Å
362R98Very high97Very high29 Ų2933.1 Ų33.111%0.10916%0.16CC..EExtended strand (participates in β ladder)trans-117.8142.1-179.6-66.8-172.7-177.2-154.512.3111.6G335 H336 D337 I353 S354 D358 T360 W364 K373G335-R362 PolarHBondContact O-NH1 2.84Å; G335-R362 PolarHBondContact O-NH2 3.04Å; H336-R362 VanDerWaalsContact CE1-CD 3.46Å; H336-R362 WeakPolarHBondContact CE1-CD 3.43Å; H336-R362 PolarHBondContact ND1-NE 2.87Å; D337-R362 IonicContact OD2-NH2 2.7Å; I353-R362 CarbonylContact C-O 3.55Å; I353-R362 VanDerWaalsContact CA-O 3.27Å; I353-R362 WeakPolarHBondContact CA-O 3.26Å; S354-R362 PolarHBondContact N-O 2.94Å; S354-R362 PolarHBondContact O-N 3.1Å; D358-R362 IonicContact OD2-NE 2.74Å; D358-R362 IonicContact OD2-NH2 3.9Å; T360-R362 PolarHBondContact OG1-NE 3.09Å; R362-W364 HydrophobicContact CB-CZ2 4.04Å; R362-K373 CarbonylContact C-O 3.5Å; R362-K373 WeakPolarHBondContact CA-O 3.22Å
363V97.7Very high96.8Very high0 Ų036.8 Ų36.80%018%0.176CC..EExtended strand (participates in β ladder)trans-106.1119.4174-172.10000107.8I94 P95 Y351 I353 C371 L372 K373I94-V363 HydrophobicContact CB-CG1 4.34Å; I94-V363 HydrophobicContact CB-CG2 4.46Å; I94-V363 HydrophobicContact CG2-CG1 3.93Å; P95-V363 HydrophobicContact CG-CG2 4.03Å; Y351-V363 HydrophobicContact CD1-CG1 4.18Å; Y351-V363 HydrophobicContact CG-CG1 4.09Å; I353-V363 HydrophobicContact CG1-CG1 4.3Å; I353-V363 HydrophobicContact CG1-CG2 4.21Å; V363-C371 CarbonylContact O-C 3.58Å; V363-L372 WeakPolarHBondContact O-CB 3.44Å; V363-L372 PolarHBondContact O-N 2.9Å; V363-K373 HydrophobicContact CB-CB 4.22Å; V363-K373 HydrophobicContact CG2-CB 4.28Å; V363-K373 PolarHBondContact N-O 3.3Å; V363-K373 PolarHBondContact O-N 3.48Å
364W98Very high96.7Very high2 Ų239.2 Ų39.21%0.00819%0.193CC..EExtended strand (participates in β ladder)trans-106.9132.2-179.6-53.286.1000109.4I319 L333 E334 H336 Y351 L352 S354 R362 C371I319-W364 HydrophobicContact CD1-CZ2 4.19Å; L333-W364 HydrophobicContact CB-CD2 4.31Å; L333-W364 HydrophobicContact CB-CE3 3.84Å; L333-W364 HydrophobicContact CB-CZ3 3.97Å; L333-W364 HydrophobicContact CD1-CB 3.96Å; L333-W364 HydrophobicContact CD1-CD2 4.19Å; L333-W364 HydrophobicContact CD1-CE3 4.27Å; L333-W364 HydrophobicContact CD1-CG 4.05Å; L333-W364 HydrophobicContact CD2-CE3 4.49Å; L333-W364 HydrophobicContact CG-CE3 4.43Å; E334-W364 WeakPolarHBondContact O-CZ3 3.27Å; H336-W364 AromaticContact CD2-CZ2 3.74Å; Y351-W364 CarbonylContact C-O 3.48Å; Y351-W364 WeakPolarHBondContact CA-O 3.34Å; L352-W364 HydrophobicContact CB-CB 4.35Å; L352-W364 PolarHBondContact N-O 3.03Å; L352-W364 PolarHBondContact O-N 2.78Å; S354-W364 PolarHBondContact OG-NE1 2.83Å; R362-W364 HydrophobicContact CB-CZ2 4.04Å; W364-C371 HydrophobicContact CD2-CB 4.35Å; W364-C371 HydrophobicContact CE3-CB 3.75Å; W364-C371 HydrophobicContact CH2-CB 4.1Å; W364-C371 HydrophobicContact CZ3-CB 3.63Å
365N96.4Very high96.7Very high19 Ų1939.6 Ų39.610%0.10220%0.195CC..EExtended strand (participates in β ladder)trans-86.6120.8168.7176-60.1000108.7Y351 S367 T368 K369 R370Y351-N365 HydrophobicContact CD1-CB 4.29Å; Y351-N365 HydrophobicContact CE1-CB 4.37Å; N365-S367 PolarHBondContact OD1-N 3.12Å; N365-S367 PolarHBondContact OD1-OG 3.31Å; N365-S367 VanDerWaalsContact OD1-OG 3.06Å; N365-T368 WeakPolarHBondContact CB-OG1 3.33Å; N365-T368 PolarHBondContact OD1-N 2.89Å; N365-T368 PolarHBondContact OD1-OG1 2.9Å; N365-K369 WeakPolarHBondContact O-CA 3.22Å; N365-K369 PolarHBondContact O-N 3.05Å; N365-R370 PolarHBondContact N-O 2.81Å; N365-R370 PolarHBondContact O-N 2.79Å
366I96.5Very high96.6Very high0 Ų047.7 Ų47.70%023%0.233CC..THydrogen-bonded Turntrans-67.4-47.5-173.2-68.4-57.3000111.9V292 A295 F331 F345 K350 L352 T368 K369V292-I366 HydrophobicContact CG2-CG2 3.78Å; A295-I366 VanDerWaalsContact CB-O 3.25Å; A295-I366 WeakPolarHBondContact CB-O 3.32Å; F331-I366 HydrophobicContact CZ-CG2 4.22Å; F345-I366 HydrophobicContact CE1-CD1 4.16Å; K350-I366 PolarHBondContact O-N 3.07Å; K350-I366 VanDerWaalsContact O-N 3.1Å; L352-I366 HydrophobicContact CB-CD1 3.69Å; L352-I366 HydrophobicContact CB-CG1 4.36Å; I366-T368 PolarHBondContact O-N 3.02Å; I366-K369 PolarHBondContact O-N 3.32Å
367S94.6Very high96.4Very high20 Ų2047.7 Ų47.714%0.1423%0.233CC..THydrogen-bonded Turntrans-64.7-42.8-17658.20000112.5E294 A295 N365E294-S367 VanDerWaalsContact CD-CB 3.44Å; E294-S367 VanDerWaalsContact OE2-CB 3.29Å; E294-S367 WeakPolarHBondContact OE2-CB 3.18Å; A295-S367 WeakPolarHBondContact CA-O 3.43Å; N365-S367 PolarHBondContact OD1-N 3.12Å; N365-S367 PolarHBondContact OD1-OG 3.31Å; N365-S367 VanDerWaalsContact OD1-OG 3.06Å
368T94.5Very high96.4Very high76 Ų7647.8 Ų47.847%0.46623%0.233SC..THydrogen-bonded Turntrans-84.8-12.1179.963.30000114N365 I366 R370N365-T368 WeakPolarHBondContact CB-OG1 3.33Å; N365-T368 PolarHBondContact OD1-N 2.89Å; N365-T368 PolarHBondContact OD1-OG1 2.9Å; I366-T368 PolarHBondContact O-N 3.02Å; T368-R370 PolarHBondContact O-N 3.49Å
369K95.3Very high96.3Very high82 Ų8252.9 Ų52.936%0.35726%0.26SS..THydrogen-bonded Turntrans58.325.7-176.1-51.7172.1-172.5169.80114A295 F331 L333 N365 I366A295-K369 HydrophobicContact CB-CG 4.31Å; A295-K369 WeakPolarHBondContact O-CE 3.4Å; A295-K369 PolarHBondContact O-NZ 3.4Å; F331-K369 HydrophobicContact CB-CD 4.02Å; F331-K369 HydrophobicContact CD1-CD 4.46Å; F331-K369 HydrophobicContact CD2-CD 4.13Å; F331-K369 HydrophobicContact CD2-CG 3.98Å; F331-K369 HydrophobicContact CE2-CG 4.2Å; F331-K369 HydrophobicContact CG-CD 3.96Å; F331-K369 HydrophobicContact CG-CG 4.28Å; L333-K369 HydrophobicContact CD2-CB 3.84Å; N365-K369 WeakPolarHBondContact O-CA 3.22Å; N365-K369 PolarHBondContact O-N 3.05Å; I366-K369 PolarHBondContact O-N 3.32Å
370R94.7Very high96.3Very high188 Ų18852.1 Ų52.171%0.70926%0.258SS*.EExtended strand (participates in β ladder)trans-110.7144.4-176.6-70.7-178.9-178.3-160.6-0.6111.6N365 T368 L372N365-R370 PolarHBondContact N-O 2.81Å; N365-R370 PolarHBondContact O-N 2.79Å; T368-R370 PolarHBondContact O-N 3.49Å; R370-L372 PolarHBondContact O-N 2.9Å; R370-L372 VanDerWaalsContact O-N 3.14Å
371C95.4Very high96.3Very high47 Ų4754.7 Ų54.732%0.31827%0.268SS..EExtended strand (participates in β ladder)trans-66.3108.1163.8-179.90000108.5V363 W364V363-C371 CarbonylContact O-C 3.58Å; W364-C371 HydrophobicContact CD2-CB 4.35Å; W364-C371 HydrophobicContact CE3-CB 3.75Å; W364-C371 HydrophobicContact CH2-CB 4.1Å; W364-C371 HydrophobicContact CZ3-CB 3.63Å
372L94.1Very high96.3Very high92 Ų9254.7 Ų54.748%0.48227%0.268SS..EExtended strand (participates in β ladder)trans-74.1-41.4177.9177.364000111.1I94 Y351 V363 R370I94-L372 HydrophobicContact CD1-CD2 3.93Å; Y351-L372 HydrophobicContact CD1-CD2 4.25Å; Y351-L372 HydrophobicContact CE1-CD2 3.64Å; V363-L372 WeakPolarHBondContact O-CB 3.44Å; V363-L372 PolarHBondContact O-N 2.9Å; R370-L372 PolarHBondContact O-N 2.9Å; R370-L372 VanDerWaalsContact O-N 3.14Å
373K94.5Very high96.3Very high78 Ų7854.6 Ų54.634%0.33927%0.271SS..EExtended strand (participates in β ladder)trans-148.3137.3-176.7-169.164.6177.3174.50110.7I94 R362 V363 I375I94-K373 HydrophobicContact CD1-CB 4.5Å; R362-K373 CarbonylContact C-O 3.5Å; R362-K373 WeakPolarHBondContact CA-O 3.22Å; V363-K373 HydrophobicContact CB-CB 4.22Å; V363-K373 HydrophobicContact CG2-CB 4.28Å; V363-K373 PolarHBondContact N-O 3.3Å; V363-K373 PolarHBondContact O-N 3.48Å; K373-I375 HydrophobicContact CG-CD1 4.32Å; K373-I375 HydrophobicContact CG-CG1 3.9Å
374S96.4Very high96.3Very high51 Ų5154.6 Ų54.636%0.35727%0.271SS..EExtended strand (participates in β ladder)trans-110.4134.7164.6-172.40000108.6
375I96.8Very high96.3Very high8 Ų854.5 Ų54.54%0.04127%0.271CS..EExtended strand (participates in β ladder)trans-127.1123.4-180-56.9175.8000106.9P95 T360 M361 K373 A377 W406P95-I375 HydrophobicContact CB-CD1 4.2Å; P95-I375 HydrophobicContact CG-CD1 4.16Å; P95-I375 WeakPolarHBondContact O-CD1 3.36Å; T360-I375 CarbonylContact C-O 3.53Å; T360-I375 WeakPolarHBondContact CA-O 3.36Å; T360-I375 WeakPolarHBondContact CB-O 3.4Å; M361-I375 HydrophobicContact CE-CD1 4.09Å; M361-I375 PolarHBondContact N-O 3.01Å; M361-I375 PolarHBondContact O-N 3.28Å; K373-I375 HydrophobicContact CG-CD1 4.32Å; K373-I375 HydrophobicContact CG-CG1 3.9Å; I375-A377 VanDerWaalsContact C-N 3.33Å; I375-A377 PolarHBondContact O-N 3.02Å; I375-W406 HydrophobicContact CG2-CH2 4.26Å; I375-W406 HydrophobicContact CG2-CZ3 4.03Å
376E96.7Very high96.4Very high170 Ų17054.1 Ų54.179%0.79427%0.268SS*.EExtended strand (participates in β ladder)trans-67.995.4167.5-67.3-179.5-177.300107.9
377A95.9Very high96.3Very high0 Ų054.7 Ų54.70%027%0.271CS..  trans-78.2-44.4-171.500000110K359 M361 I375 V382 K404 W406K359-A377 PolarHBondContact O-N 2.73Å; K359-A377 VanDerWaalsContact O-N 3.08Å; M361-A377 HydrophobicContact CB-CB 3.97Å; I375-A377 VanDerWaalsContact C-N 3.33Å; I375-A377 PolarHBondContact O-N 3.02Å; A377-V382 HydrophobicContact CB-CG2 4.03Å; A377-K404 WeakPolarHBondContact O-CD 3.44Å; A377-K404 VanDerWaalsContact O-CE 3.27Å; A377-K404 WeakPolarHBondContact O-CE 3.24Å; A377-K404 PolarHBondContact O-NZ 3.25Å; A377-W406 HydrophobicContact CB-CH2 4.32Å; A377-W406 HydrophobicContact CB-CZ2 3.72Å; A377-W406 WeakPolarHBondContact O-CH2 3.19Å; A377-W406 WeakPolarHBondContact O-CZ2 3.06Å
378H97.9Very high96.2Very high6 Ų654.8 Ų54.83%0.02827%0.269CS..  trans-137167.5-173.2-74.3-92.3000111.9K359 H380 V382 T396 S398 D400 T402K359-H378 WeakPolarHBondContact CB-O 3.31Å; K359-H378 PolarHBondContact O-N 3.44Å; H378-H380 VanDerWaalsContact C-N 3.28Å; H378-V382 HydrophobicContact CB-CG2 4.22Å; H378-T396 PolarHBondContact CD2-OG1 3.27Å; H378-T396 WeakPolarHBondContact NE2-CB 3.45Å; H378-T396 PolarHBondContact NE2-O 3.21Å; H378-T396 PolarHBondContact NE2-OG1 2.87Å; H378-S398 WeakPolarHBondContact CB-OG 3.11Å; H378-S398 WeakPolarHBondContact ND1-CB 3.33Å; H378-D400 WeakPolarHBondContact CB-OD2 3.47Å; H378-D400 IonicContact CG-OD2 3.41Å; H378-D400 IonicContact ND1-OD1 2.74Å; H378-D400 IonicContact ND1-OD2 3.76Å; H378-D400 PolarHBondContact ND1-OD2 2.95Å; H378-T402 PolarHBondContact CE1-OG1 3.08Å; H378-T402 PolarHBondContact ND1-OG1 3.34Å; H378-T402 VanDerWaalsContact ND1-OG1 3.13Å
379N95.4Very high95.9Very high136 Ų13657.6 Ų57.673%0.72728%0.28SS*.SBendtrans-83.4-11.2176.4-68.8-38.9000112.4K359 D400K359-N379 WeakPolarHBondContact CD-O 3.31Å; K359-N379 WeakPolarHBondContact CE-O 3.33Å; K359-N379 PolarHBondContact NZ-O 3.13Å; N379-D400 PolarHBondContact N-OD2 2.77Å
380H97.3Very high95.3Very high78 Ų7861.8 Ų61.836%0.36130%0.304SS..SBendtrans-133.1-164.4175.3-146.1-49.7000110.8K359 H378 V399 D400K359-H380 WeakPolarHBondContact CA-O 3.5Å; K359-H380 WeakPolarHBondContact CB-O 3.48Å; K359-H380 WeakPolarHBondContact CG-O 3.36Å; H378-H380 VanDerWaalsContact C-N 3.28Å; H380-V399 HydrophobicContact CB-CB 4.31Å; H380-D400 HydrophobicContact CB-CB 4Å
381F98.3Very high95Very high66 Ų6654 Ų5429%0.28928%0.279SS..  trans-71.1131.4-169.4-59.5-19.4000109.9D357 T383 S398 V399D357-F381 HydrophobicContact CB-CB 4.18Å; D357-F381 HydrophobicContact CB-CD1 3.89Å; D357-F381 HydrophobicContact CB-CD2 4.23Å; D357-F381 HydrophobicContact CB-CE1 4.31Å; D357-F381 HydrophobicContact CB-CG 3.84Å; D357-F381 WeakPolarHBondContact O-CD1 3.31Å; D357-F381 WeakPolarHBondContact O-CE1 3.37Å; D357-F381 WeakPolarHBondContact OD1-CB 3.48Å; F381-T383 PolarHBondContact O-N 2.97Å; F381-S398 VanDerWaalsContact O-CA 3.23Å; F381-S398 WeakPolarHBondContact O-CA 3.25Å; F381-S398 WeakPolarHBondContact O-CB 3.47Å; F381-S398 PolarHBondContact O-OG 3.42Å; F381-S398 VanDerWaalsContact O-OG 3.12Å; F381-V399 HydrophobicContact CB-CB 4.38Å; F381-V399 HydrophobicContact CB-CG2 3.83Å; F381-V399 HydrophobicContact CD2-CG2 4.38Å; F381-V399 PolarHBondContact O-N 2.58Å
382V98.4Very high94.7Very high0 Ų053.3 Ų53.30%027%0.274CS..EExtended strand (participates in β ladder)trans-86.2113.7179.4-165.60000108.2R341 A355 S356 A377 H378 T396 S397R341-V382 WeakPolarHBondContact CB-O 3.31Å; R341-V382 WeakPolarHBondContact CG-O 3.48Å; A355-V382 HydrophobicContact CB-CB 3.85Å; A355-V382 HydrophobicContact CB-CG1 3.5Å; S356-V382 PolarHBondContact O-N 2.96Å; S356-V382 VanDerWaalsContact O-N 3.11Å; A377-V382 HydrophobicContact CB-CG2 4.03Å; H378-V382 HydrophobicContact CB-CG2 4.22Å; V382-T396 HydrophobicContact CG1-CG2 4.25Å; V382-S397 CarbonylContact C-O 3.51Å; V382-S397 WeakPolarHBondContact CA-O 3.39Å; V382-S397 VanDerWaalsContact CG1-O 3.3Å; V382-S397 WeakPolarHBondContact CG1-O 3.29Å
383T97.9Very high94.7Very high27 Ų2750.1 Ų50.117%0.16626%0.256CS..EExtended strand (participates in β ladder)trans-89.4-37-168.651.70000113V110 R341 F381 S397 V399V110-T383 VanDerWaalsContact O-CB 3.27Å; V110-T383 WeakPolarHBondContact O-CB 3.26Å; V110-T383 WeakPolarHBondContact O-CG2 3.33Å; V110-T383 PolarHBondContact O-OG1 3.06Å; R341-T383 WeakPolarHBondContact CB-O 3.37Å; F381-T383 PolarHBondContact O-N 2.97Å; T383-S397 PolarHBondContact N-O 3.41Å; T383-S397 VanDerWaalsContact OG1-C 3.31Å; T383-S397 PolarHBondContact OG1-O 2.81Å; T383-S397 PolarHBondContact OG1-OG 2.81Å; T383-V399 HydrophobicContact CG2-CG2 3.63Å
384S98.1Very high94.8Very high1 Ų146.4 Ų46.41%0.00724%0.24CC..EExtended strand (participates in β ladder)trans-146.7155.4-179.5-173.60000110.5R112 V113 T396 S397R112-S384 PolarHBondContact NH1-OG 2.88Å; R112-S384 VanDerWaalsContact NH1-OG 3.08Å; V113-S384 PolarHBondContact N-OG 2.75Å; V113-S384 PolarHBondContact O-OG 2.76Å; S384-T396 WeakPolarHBondContact O-CA 3.2Å; S384-S397 VanDerWaalsContact CB-OG 3.25Å; S384-S397 WeakPolarHBondContact CB-OG 3.27Å; S384-S397 PolarHBondContact N-OG 3.41Å; S384-S397 PolarHBondContact O-N 2.77Å
385L97.5Very high94.9Very high0 Ų044 Ų440%022%0.223CC..EExtended strand (participates in β ladder)trans-140.8150.9169.277.993.8000109.6S342 R344 I353 S354 A355 V395 T396S342-L385 WeakPolarHBondContact O-CD2 3.43Å; S342-L385 PolarHBondContact OG-N 3.38Å; S342-L385 PolarHBondContact OG-O 3.33Å; R344-L385 HydrophobicContact CB-CD1 3.67Å; R344-L385 HydrophobicContact CG-CD1 3.75Å; I353-L385 HydrophobicContact CB-CD1 4.39Å; I353-L385 HydrophobicContact CG2-CD1 4.03Å; I353-L385 HydrophobicContact CG2-CD2 4.12Å; S354-L385 VanDerWaalsContact CA-CD2 3.47Å; A355-L385 HydrophobicContact CB-CB 4.14Å; A355-L385 HydrophobicContact CB-CD2 3.45Å; A355-L385 VanDerWaalsContact CB-CD2 3.45Å; A355-L385 HydrophobicContact CB-CG 4.32Å; L385-V395 CarbonylContact C-O 3.55Å; L385-V395 WeakPolarHBondContact CA-O 3.44Å; L385-T396 HydrophobicContact CB-CG2 4.16Å
386D97.7Very high95Very high10 Ų1043.6 Ų43.65%0.05322%0.221CC..EExtended strand (participates in β ladder)trans-140.6150.5168.8-154.833.3000110.6I114 F115 R344 V394 V395I114-D386 WeakPolarHBondContact CA-OD2 3.4Å; F115-D386 HydrophobicContact CD2-CB 4.08Å; F115-D386 WeakPolarHBondContact CE2-O 3.32Å; F115-D386 PolarHBondContact N-OD2 3.25Å; R344-D386 IonicContact CZ-OD1 3.94Å; R344-D386 VanDerWaalsContact CZ-OD1 3.26Å; R344-D386 IonicContact NE-OD1 3.11Å; R344-D386 PolarHBondContact NE-OD1 3.13Å; R344-D386 IonicContact NH2-OD1 3.4Å; R344-D386 PolarHBondContact NH2-OD1 3.4Å; D386-V394 WeakPolarHBondContact O-CA 3.08Å; D386-V395 HydrophobicContact CB-CG2 3.96Å; D386-V395 PolarHBondContact N-O 2.9Å; D386-V395 PolarHBondContact O-N 2.8Å
387F94.7Very high95.1Very high13 Ų1335.5 Ų35.56%0.05718%0.183CC..EExtended strand (participates in β ladder)trans-117.2127.1179.7-159.5-66.6000108.5R344 H346 P347 I353 L389 V394R344-F387 HydrophobicContact CB-CB 4.44Å; H346-F387 AromaticContact CD2-CE1 3.91Å; H346-F387 AromaticContact CD2-CE2 3.42Å; H346-F387 VanDerWaalsContact CD2-CE2 3.42Å; H346-F387 WeakPolarHBondContact CD2-CE2 3.4Å; H346-F387 AromaticContact CD2-CZ 3.24Å; H346-F387 WeakPolarHBondContact CD2-CZ 3.48Å; H346-F387 AromaticContact NE2-CE1 3.92Å; H346-F387 AromaticContact NE2-CZ 3.37Å; H346-F387 WeakPolarHBondContact NE2-CZ 3.48Å; P347-F387 VanDerWaalsContact CD-CE1 3.4Å; P347-F387 HydrophobicContact CG-CD1 3.56Å; P347-F387 HydrophobicContact CG-CE1 3.77Å; I353-F387 HydrophobicContact CD1-CD2 3.29Å; I353-F387 HydrophobicContact CD1-CE2 3.35Å; F387-L389 PolarHBondContact O-N 3.02Å; F387-V394 HydrophobicContact CB-CG2 4.48Å; F387-V394 HydrophobicContact CD2-CB 4.5Å; F387-V394 HydrophobicContact CD2-CG2 3.11Å; F387-V394 HydrophobicContact CE2-CG2 3.19Å; F387-V394 HydrophobicContact CG-CG2 3.88Å; F387-V394 HydrophobicContact CZ-CG2 4.04Å
388H93.4Very high95.2Very high22 Ų2235.5 Ų35.510%0.10218%0.183CC..  trans-70.5131.6-179.7-167.9-49.6000110.7F115 F136 M390 A391 Y393F115-H388 HydrophobicContact CD1-CB 4.17Å; F115-H388 AromaticContact CD1-CD2 3.56Å; F115-H388 HydrophobicContact CD2-CB 3.81Å; F115-H388 HydrophobicContact CE1-CB 4.12Å; F115-H388 AromaticContact CE1-CD2 3.9Å; F115-H388 HydrophobicContact CE2-CB 3.71Å; F115-H388 VanDerWaalsContact CE2-N 3.32Å; F115-H388 HydrophobicContact CG-CB 4.02Å; F115-H388 AromaticContact CG-CD2 3.94Å; F115-H388 HydrophobicContact CZ-CB 3.87Å; F136-H388 AromaticContact CE1-CD2 3.9Å; F136-H388 AromaticContact CZ-CD2 3.55Å; F136-H388 AromaticContact CZ-NE2 3.77Å; H388-M390 PolarHBondContact ND1-N 3.42Å; H388-M390 PolarHBondContact O-N 3.43Å; H388-A391 HydrophobicContact CB-CB 4.33Å; H388-A391 WeakPolarHBondContact CB-O 3.5Å; H388-A391 PolarHBondContact ND1-N 3.02Å; H388-A391 VanDerWaalsContact ND1-N 3.19Å; H388-Y393 PolarHBondContact N-O 3Å
389L86.7Confident95.2Very high134 Ų13437.2 Ų37.270%0.70219%0.194SC*.SBendtrans-66-14.6-172-63.7176.3000115.8F387F387-L389 PolarHBondContact O-N 3.02Å
390M84.2Confident95.3Very high171 Ų17132.8 Ų32.884%0.84217%0.17SC*.SBendtrans-142.5-41-167.8-65.6-173.571.200111.6H388H388-M390 PolarHBondContact ND1-N 3.42Å; H388-M390 PolarHBondContact O-N 3.43Å
391A87.1Confident95.3Very high24 Ų2432.9 Ų32.920%0.19817%0.171CC..SBendtrans-84.7151.3174.700000110.7H388 Y393H388-A391 HydrophobicContact CB-CB 4.33Å; H388-A391 WeakPolarHBondContact CB-O 3.5Å; H388-A391 PolarHBondContact ND1-N 3.02Å; H388-A391 VanDerWaalsContact ND1-N 3.19Å; A391-Y393 HydrophobicContact CB-CD2 3.71Å; A391-Y393 HydrophobicContact CB-CE2 4.22Å; A391-Y393 PolarHBondContact O-N 3.4Å
392P89.9Confident95.2Very high33 Ų3331.2 Ų31.221%0.21417%0.166CC..SBendtrans-81.955-176.537.3-40.2000111.8W93 C408W93-P392 HydrophobicContact CE3-CB 3.38Å; W93-P392 HydrophobicContact CE3-CG 4.03Å; W93-P392 HydrophobicContact CZ3-CB 3.77Å; W93-P392 HydrophobicContact CZ3-CG 3.88Å; P392-C408 HydrophobicContact CB-CB 4.01Å; P392-C408 VanDerWaalsContact O-CB 3.31Å; P392-C408 WeakPolarHBondContact O-CB 3.16Å; P392-C408 PolarHBondContact O-N 2.82Å
393Y94.4Very high95.2Very high25 Ų2531.2 Ų31.210%0.09817%0.166CC..EExtended strand (participates in β ladder)trans-127.7141.7-176.7-64.2-71.8000112.3K100 F136 H388 A391 V405 W406 E407K100-Y393 HydrophobicContact CD-CE1 3.91Å; K100-Y393 PolarHBondContact NZ-OH 2.9Å; K100-Y393 VanDerWaalsContact NZ-OH 3.08Å; F136-Y393 AromaticContact CD2-CD2 3.94Å; F136-Y393 HydrophobicContact CD2-CD2 3.94Å; F136-Y393 HydrophobicContact CD2-CE2 4.25Å; F136-Y393 HydrophobicContact CD2-CG 4.21Å; F136-Y393 AromaticContact CE2-CD2 3.44Å; F136-Y393 HydrophobicContact CE2-CD2 3.44Å; F136-Y393 VanDerWaalsContact CE2-CD2 3.44Å; F136-Y393 AromaticContact CE2-CE2 3.74Å; F136-Y393 HydrophobicContact CE2-CE2 3.74Å; F136-Y393 HydrophobicContact CE2-CG 4.13Å; F136-Y393 HydrophobicContact CZ-CD2 4.43Å; H388-Y393 PolarHBondContact N-O 3Å; A391-Y393 HydrophobicContact CB-CD2 3.71Å; A391-Y393 HydrophobicContact CB-CE2 4.22Å; A391-Y393 PolarHBondContact O-N 3.4Å; Y393-V405 HydrophobicContact CD1-CG1 4.11Å; Y393-W406 WeakPolarHBondContact CA-O 3.49Å; Y393-E407 HydrophobicContact CD1-CB 4.3Å; Y393-E407 HydrophobicContact CD1-CG 4.48Å; Y393-E407 HydrophobicContact CE1-CB 4.06Å; Y393-E407 HydrophobicContact CE1-CG 3.99Å
394V97Very high95.2Very high0 Ų031 Ų310%016%0.163CC..EExtended strand (participates in β ladder)trans-118.9143.91681750000108.1P95 I353 M361 D386 F387 T396 W406P95-V394 HydrophobicContact CB-CB 4.35Å; P95-V394 HydrophobicContact CB-CG2 4.32Å; P95-V394 HydrophobicContact CG-CG2 4.25Å; I353-V394 HydrophobicContact CD1-CG2 4.26Å; M361-V394 HydrophobicContact CE-CG1 4.22Å; M361-V394 HydrophobicContact SD-CG1 3.55Å; M361-V394 VanDerWaalsContact SD-CG1 3.55Å; D386-V394 WeakPolarHBondContact O-CA 3.08Å; F387-V394 HydrophobicContact CB-CG2 4.48Å; F387-V394 HydrophobicContact CD2-CB 4.5Å; F387-V394 HydrophobicContact CD2-CG2 3.11Å; F387-V394 HydrophobicContact CE2-CG2 3.19Å; F387-V394 HydrophobicContact CG-CG2 3.88Å; F387-V394 HydrophobicContact CZ-CG2 4.04Å; V394-T396 HydrophobicContact CG1-CG2 4.45Å; V394-W406 HydrophobicContact CB-CB 4.22Å; V394-W406 PolarHBondContact N-O 3.09Å; V394-W406 PolarHBondContact O-N 3.31Å
395V98Very high95.2Very high0 Ų031 Ų310%016%0.163CC..EExtended strand (participates in β ladder)trans-120.8144.3169.7-73.30000110.7V113 F115 I122 L385 D386 K404 V405V113-V395 HydrophobicContact CB-CG2 4.41Å; V113-V395 HydrophobicContact CG1-CB 4.39Å; V113-V395 HydrophobicContact CG1-CG2 4.01Å; V113-V395 HydrophobicContact CG2-CB 3.93Å; V113-V395 HydrophobicContact CG2-CG2 3.53Å; F115-V395 HydrophobicContact CD2-CG2 3.98Å; F115-V395 HydrophobicContact CE1-CG1 4.01Å; F115-V395 HydrophobicContact CE1-CG2 4.48Å; F115-V395 HydrophobicContact CE2-CB 4.32Å; F115-V395 HydrophobicContact CE2-CG1 4.18Å; F115-V395 HydrophobicContact CE2-CG2 3.53Å; F115-V395 HydrophobicContact CZ-CB 4.19Å; F115-V395 HydrophobicContact CZ-CG1 3.57Å; F115-V395 HydrophobicContact CZ-CG2 3.82Å; I122-V395 HydrophobicContact CD1-CG1 4.1Å; I122-V395 HydrophobicContact CG2-CG1 4.12Å; I122-V395 HydrophobicContact CG2-CG2 4.47Å; L385-V395 CarbonylContact C-O 3.55Å; L385-V395 WeakPolarHBondContact CA-O 3.44Å; D386-V395 HydrophobicContact CB-CG2 3.96Å; D386-V395 PolarHBondContact N-O 2.9Å; D386-V395 PolarHBondContact O-N 2.8Å; V395-K404 VanDerWaalsContact CA-O 3.28Å; V395-K404 WeakPolarHBondContact CA-O 3.46Å; V395-V405 HydrophobicContact CG1-CB 4.32Å; V395-V405 HydrophobicContact CG1-CG1 4.27Å; V395-V405 HydrophobicContact CG1-CG2 3.94Å
396T98.5Very high95.2Very high0 Ų031 Ų310%016%0.163CC..EExtended strand (participates in β ladder)trans-129.5144.7174.558.20000110M361 H378 V382 S384 L385 V394 V403 K404 W406M361-T396 HydrophobicContact CB-CG2 4.45Å; M361-T396 HydrophobicContact CE-CG2 4.43Å; M361-T396 HydrophobicContact SD-CG2 3.63Å; H378-T396 PolarHBondContact CD2-OG1 3.27Å; H378-T396 WeakPolarHBondContact NE2-CB 3.45Å; H378-T396 PolarHBondContact NE2-O 3.21Å; H378-T396 PolarHBondContact NE2-OG1 2.87Å; V382-T396 HydrophobicContact CG1-CG2 4.25Å; S384-T396 WeakPolarHBondContact O-CA 3.2Å; L385-T396 HydrophobicContact CB-CG2 4.16Å; V394-T396 HydrophobicContact CG1-CG2 4.45Å; T396-V403 CarbonylContact O-C 3.52Å; T396-V403 VanDerWaalsContact O-CA 3.28Å; T396-V403 WeakPolarHBondContact O-CA 3.21Å; T396-V403 WeakPolarHBondContact O-CG1 3.49Å; T396-K404 PolarHBondContact N-O 2.75Å; T396-K404 PolarHBondContact O-N 2.8Å; T396-W406 PolarHBondContact OG1-NE1 3.21Å
397S98.1Very high95Very high0 Ų034.6 Ų34.60%018%0.179CC..EExtended strand (participates in β ladder)trans-118.7158.6172.764.10000110.6V110 V382 T383 S384V110-S397 VanDerWaalsContact CG1-CB 3.49Å; V382-S397 CarbonylContact C-O 3.51Å; V382-S397 WeakPolarHBondContact CA-O 3.39Å; V382-S397 VanDerWaalsContact CG1-O 3.3Å; V382-S397 WeakPolarHBondContact CG1-O 3.29Å; T383-S397 PolarHBondContact N-O 3.41Å; T383-S397 VanDerWaalsContact OG1-C 3.31Å; T383-S397 PolarHBondContact OG1-O 2.81Å; T383-S397 PolarHBondContact OG1-OG 2.81Å; S384-S397 VanDerWaalsContact CB-OG 3.25Å; S384-S397 WeakPolarHBondContact CB-OG 3.27Å; S384-S397 PolarHBondContact N-OG 3.41Å; S384-S397 PolarHBondContact O-N 2.77Å
398S98.3Very high94.8Very high0 Ų034 Ų340%018%0.176CC..EExtended strand (participates in β ladder)trans-146.5162.2-174.1169.20000113.6V110 H378 F381 D400 Q401 T402V110-S398 PolarHBondContact N-O 2.9Å; V110-S398 VanDerWaalsContact N-O 3.16Å; H378-S398 WeakPolarHBondContact CB-OG 3.11Å; H378-S398 WeakPolarHBondContact ND1-CB 3.33Å; F381-S398 VanDerWaalsContact O-CA 3.23Å; F381-S398 WeakPolarHBondContact O-CA 3.25Å; F381-S398 WeakPolarHBondContact O-CB 3.47Å; F381-S398 PolarHBondContact O-OG 3.42Å; F381-S398 VanDerWaalsContact O-OG 3.12Å; S398-D400 WeakPolarHBondContact CB-OD1 3.28Å; S398-D400 PolarHBondContact O-N 3.37Å; S398-D400 PolarHBondContact OG-N 3.37Å; S398-D400 VanDerWaalsContact OG-N 3.12Å; S398-D400 PolarHBondContact OG-OD1 3.09Å; S398-D400 VanDerWaalsContact OG-OD1 3.08Å; S398-D400 PolarHBondContact OG-OD2 2.97Å; S398-D400 VanDerWaalsContact OG-OD2 3.05Å; S398-Q401 PolarHBondContact O-N 2.57Å; S398-T402 PolarHBondContact N-O 3.19Å
399V97.9Very high94.4Very high42 Ų4238.6 Ų38.626%0.25519%0.193SC..THydrogen-bonded Turntrans-61.9-23170175.30000112P109 H380 F381 T383 Q401P109-V399 HydrophobicContact CB-CB 4.45Å; P109-V399 HydrophobicContact CB-CG1 4.35Å; P109-V399 HydrophobicContact CB-CG2 4.45Å; P109-V399 HydrophobicContact CG-CG1 3.98Å; H380-V399 HydrophobicContact CB-CB 4.31Å; F381-V399 HydrophobicContact CB-CB 4.38Å; F381-V399 HydrophobicContact CB-CG2 3.83Å; F381-V399 HydrophobicContact CD2-CG2 4.38Å; F381-V399 PolarHBondContact O-N 2.58Å; T383-V399 HydrophobicContact CG2-CG2 3.63Å; V399-Q401 PolarHBondContact O-N 3.38Å
400D97.1Very high94.8Very high42 Ų4233.8 Ų33.823%0.22517%0.167CC..THydrogen-bonded Turntrans-71.49.2174.566.820.2000114.6H378 N379 H380 S398 T402H378-D400 WeakPolarHBondContact CB-OD2 3.47Å; H378-D400 IonicContact CG-OD2 3.41Å; H378-D400 IonicContact ND1-OD1 2.74Å; H378-D400 IonicContact ND1-OD2 3.76Å; H378-D400 PolarHBondContact ND1-OD2 2.95Å; N379-D400 PolarHBondContact N-OD2 2.77Å; H380-D400 HydrophobicContact CB-CB 4Å; S398-D400 WeakPolarHBondContact CB-OD1 3.28Å; S398-D400 PolarHBondContact O-N 3.37Å; S398-D400 PolarHBondContact OG-N 3.37Å; S398-D400 VanDerWaalsContact OG-N 3.12Å; S398-D400 PolarHBondContact OG-OD1 3.09Å; S398-D400 VanDerWaalsContact OG-OD1 3.08Å; S398-D400 PolarHBondContact OG-OD2 2.97Å; S398-D400 VanDerWaalsContact OG-OD2 3.05Å; D400-T402 VanDerWaalsContact CG-OG1 3.32Å; D400-T402 PolarHBondContact O-N 2.81Å; D400-T402 WeakPolarHBondContact OD1-CB 3.11Å; D400-T402 PolarHBondContact OD1-N 3.37Å; D400-T402 PolarHBondContact OD1-OG1 2.63Å
401Q97.7Very high95.3Very high80 Ų8026.6 Ų26.637%0.37413%0.132SC..SBendtrans71.19.2176.2-39.8179.42.700114H106 S398 V399H106-Q401 PolarHBondContact O-OE1 3.37Å; S398-Q401 PolarHBondContact O-N 2.57Å; V399-Q401 PolarHBondContact O-N 3.38Å
402T97.6Very high95.8Very high31 Ų3126.7 Ų26.719%0.1913%0.128CC..EExtended strand (participates in β ladder)trans-107.3155.517971.80000112.5L103 H378 S398 D400L103-T402 WeakPolarHBondContact O-CA 3.33Å; H378-T402 PolarHBondContact CE1-OG1 3.08Å; H378-T402 PolarHBondContact ND1-OG1 3.34Å; H378-T402 VanDerWaalsContact ND1-OG1 3.13Å; S398-T402 PolarHBondContact N-O 3.19Å; D400-T402 VanDerWaalsContact CG-OG1 3.32Å; D400-T402 PolarHBondContact O-N 2.81Å; D400-T402 WeakPolarHBondContact OD1-CB 3.11Å; D400-T402 PolarHBondContact OD1-N 3.37Å; D400-T402 PolarHBondContact OD1-OG1 2.63Å
403V98Very high96.1Very high1 Ų126.4 Ų26.41%0.00612%0.123CC..EExtended strand (participates in β ladder)trans-123.4130170.1176.50000107.7L103 V110 V113 I122 T124 T396L103-V403 HydrophobicContact CB-CB 4.29Å; L103-V403 WeakPolarHBondContact CB-O 3.33Å; L103-V403 HydrophobicContact CD1-CG1 4.39Å; L103-V403 PolarHBondContact N-O 3.35Å; L103-V403 PolarHBondContact O-N 2.67Å; V110-V403 HydrophobicContact CB-CG2 4.4Å; V110-V403 HydrophobicContact CG1-CG2 3.89Å; V110-V403 HydrophobicContact CG2-CG2 4.14Å; V113-V403 HydrophobicContact CG2-CG1 3.95Å; I122-V403 HydrophobicContact CD1-CG1 4.02Å; T124-V403 HydrophobicContact CG2-CB 4.37Å; T124-V403 HydrophobicContact CG2-CG1 4.1Å; T124-V403 HydrophobicContact CG2-CG2 3.72Å; T396-V403 CarbonylContact O-C 3.52Å; T396-V403 VanDerWaalsContact O-CA 3.28Å; T396-V403 WeakPolarHBondContact O-CA 3.21Å; T396-V403 WeakPolarHBondContact O-CG1 3.49Å
404K98.2Very high96.2Very high23 Ų2326.4 Ų26.410%0.113%0.125CC..EExtended strand (participates in β ladder)trans-113.4138-179.6-71.4-179.5179.6-160.60111E99 Y101 A102 A377 V395 T396 W406E99-K404 HydrophobicContact CB-CB 4.17Å; E99-K404 HydrophobicContact CB-CD 4.22Å; E99-K404 HydrophobicContact CB-CG 4.36Å; E99-K404 HydrophobicContact CG-CD 4.03Å; E99-K404 HydrophobicContact CG-CG 4.22Å; E99-K404 WeakPolarHBondContact OE1-CE 3.27Å; E99-K404 IonicContact OE1-NZ 3.6Å; E99-K404 PolarHBondContact OE1-NZ 3.17Å; E99-K404 IonicContact OE2-NZ 3.09Å; Y101-K404 WeakPolarHBondContact O-CA 3.4Å; A102-K404 HydrophobicContact CB-CG 4.27Å; A377-K404 WeakPolarHBondContact O-CD 3.44Å; A377-K404 VanDerWaalsContact O-CE 3.27Å; A377-K404 WeakPolarHBondContact O-CE 3.24Å; A377-K404 PolarHBondContact O-NZ 3.25Å; V395-K404 VanDerWaalsContact CA-O 3.28Å; V395-K404 WeakPolarHBondContact CA-O 3.46Å; T396-K404 PolarHBondContact N-O 2.75Å; T396-K404 PolarHBondContact O-N 2.8Å; K404-W406 HydrophobicContact CB-CZ2 3.78Å; K404-W406 HydrophobicContact CD-CH2 3.97Å; K404-W406 HydrophobicContact CD-CZ2 3.55Å; K404-W406 HydrophobicContact CG-CZ2 4.35Å
405V97.5Very high96.2Very high0 Ų028.2 Ų28.20%013%0.133CC..EExtended strand (participates in β ladder)trans-103.8126.2174.6-173.30000108.3K100 Y101 L103 I122 F136 Y393 V395K100-V405 PolarHBondContact N-O 2.95Å; Y101-V405 HydrophobicContact CD2-CB 4.39Å; Y101-V405 PolarHBondContact N-O 2.87Å; Y101-V405 PolarHBondContact O-N 2.7Å; L103-V405 HydrophobicContact CD1-CG2 4.13Å; I122-V405 HydrophobicContact CD1-CG2 4.45Å; F136-V405 HydrophobicContact CB-CG1 4.26Å; F136-V405 HydrophobicContact CB-CG2 4.14Å; Y393-V405 HydrophobicContact CD1-CG1 4.11Å; V395-V405 HydrophobicContact CG1-CB 4.32Å; V395-V405 HydrophobicContact CG1-CG1 4.27Å; V395-V405 HydrophobicContact CG1-CG2 3.94Å
406W96.8Very high96Very high1 Ų130.2 Ų30.20%0.00414%0.142CC..EExtended strand (participates in β ladder)trans-116.7123.5-176.3-50.387.9000109.6P95 E99 M361 I375 A377 Y393 V394 T396 K404P95-W406 HydrophobicContact CB-CB 3.9Å; E99-W406 HydrophobicContact CB-CD2 4.24Å; E99-W406 HydrophobicContact CB-CE3 3.93Å; E99-W406 HydrophobicContact CB-CH2 4.07Å; E99-W406 HydrophobicContact CB-CZ2 4.37Å; E99-W406 HydrophobicContact CB-CZ3 3.84Å; M361-W406 HydrophobicContact CE-CD2 4.35Å; M361-W406 HydrophobicContact CE-CG 4.21Å; I375-W406 HydrophobicContact CG2-CH2 4.26Å; I375-W406 HydrophobicContact CG2-CZ3 4.03Å; A377-W406 HydrophobicContact CB-CH2 4.32Å; A377-W406 HydrophobicContact CB-CZ2 3.72Å; A377-W406 WeakPolarHBondContact O-CH2 3.19Å; A377-W406 WeakPolarHBondContact O-CZ2 3.06Å; Y393-W406 WeakPolarHBondContact CA-O 3.49Å; V394-W406 HydrophobicContact CB-CB 4.22Å; V394-W406 PolarHBondContact N-O 3.09Å; V394-W406 PolarHBondContact O-N 3.31Å; T396-W406 PolarHBondContact OG1-NE1 3.21Å; K404-W406 HydrophobicContact CB-CZ2 3.78Å; K404-W406 HydrophobicContact CD-CH2 3.97Å; K404-W406 HydrophobicContact CD-CZ2 3.55Å; K404-W406 HydrophobicContact CG-CZ2 4.35Å
407E93.3Very high95.9Very high84 Ų8432.5 Ų32.539%0.39315%0.153SC..EExtended strand (participates in β ladder)trans-79.9133.2171.8-169.1175.6-17000110.1R96 Y393R96-E407 PolarHBondContact N-O 3.09Å; Y393-E407 HydrophobicContact CD1-CB 4.3Å; Y393-E407 HydrophobicContact CD1-CG 4.48Å; Y393-E407 HydrophobicContact CE1-CB 4.06Å; Y393-E407 HydrophobicContact CE1-CG 3.99Å
408C91.2Very high95.7Very high0 Ų035.3 Ų35.30%017%0.166CC..BIsolated β-bridgetrans-91.9130.6175.6-58.10000109W93 I94 P392W93-C408 HydrophobicContact CB-CB 3.78Å; W93-C408 VanDerWaalsContact CE3-O 3.23Å; I94-C408 VanDerWaalsContact O-CA 3.25Å; I94-C408 WeakPolarHBondContact O-CA 3.12Å; P392-C408 HydrophobicContact CB-CB 4.01Å; P392-C408 VanDerWaalsContact O-CB 3.31Å; P392-C408 WeakPolarHBondContact O-CB 3.16Å; P392-C408 PolarHBondContact O-N 2.82Å
409R84.6Confident95.4Very high119 Ų11938.5 Ų38.545%0.44918%0.181SC..  trans-149.60-178.757-176.3174.2166.7-1.6113.6R88 I94 R96 P97R88-R409 WeakPolarHBondContact CD-OXT 3.49Å; R88-R409 PolarHBondContact NE-OXT 2.82Å; R88-R409 PolarHBondContact NH1-OXT 3.45Å; R88-R409 PolarHBondContact NH2-OXT 3.32Å; I94-R409 PolarHBondContact O-N 2.92Å; I94-R409 VanDerWaalsContact O-N 3.13Å; R96-R409 HydrophobicContact CB-CG 4.02Å; R96-R409 HydrophobicContact CG-CG 3.66Å; P97-R409 PolarHBondContact O-NH2 3.33Å; P97-R409 VanDerWaalsContact O-NH2 3.13Å

Retrieved 409 of 409 residues in 406.6 ms (Link to these results)

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