A0A096N2C0_PAPAN Loading...

DNA polymerase alpha subunit B

Accessory subunit of the DNA polymerase alpha complex (also known as the alpha DNA polymerase-primase complex) which plays an essential role in the initiation of DNA synthesis. During the S phase of the cell cycle, the DNA polymerase alpha complex (composed of a catalytic subunit POLA1, an accessory subunit POLA2 and two primase subunits, the catalytic subunit PRIM1 and the regulatory subunit PRIM2) is recruited to DNA at the replicative forks via direct interactions with MCM10 and WDHD1. The primase subunit of the polymerase alpha complex initiates DNA synthesis by oligomerising short RNA primers on both leading and lagging strands. These primers are initially extended by the polymerase alpha catalytic subunit and subsequently transferred to polymerase delta and polymerase epsilon for processive synthesis on the lagging and leading strand, respectively.

AlphaFold DB (A0A096MMD0), UniProt , Accession A0A096N2C0, Species PAPAN (Papio anubis, Olive baboon), Gene POLA2, Length 598 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
1M56.7Low79Confident160 Ų16077.5 Ų77.579%0.78843%0.426SS*.  0135.40-74.9-172.4-86.600107.3G35M1-G35 WeakPolarHBondContact CE-O 3.34Å
2S61.5Low79.4Confident117 Ų11771.2 Ų71.282%0.81839%0.391SS*.  trans-94.3112.2176.753.30000108.4
3A75.1Confident79.7Confident18 Ų1875.5 Ų75.515%0.14941%0.407CS..  trans-84.8135.5176.300000110.8V28 C31 E38A3-V28 HydrophobicContact CB-CG1 4.2Å; A3-C31 HydrophobicContact CB-CB 3.61Å; A3-E38 WeakPolarHBondContact CA-OE1 3.47Å; A3-E38 HydrophobicContact CB-CG 4.28Å
4S83.9Confident80Confident34 Ų3478.4 Ų78.424%0.23842%0.42CS..  trans-92.4122.2179.1177.40000111.2Q6 Q7 L8 E38S4-Q6 PolarHBondContact O-N 3.01Å; S4-Q7 PolarHBondContact O-N 3Å; S4-L8 PolarHBondContact O-N 2.83Å; S4-L8 VanDerWaalsContact O-N 3.14Å; S4-E38 PolarHBondContact N-OE1 3.09Å
5P84.4Confident80Confident67 Ų6780.1 Ų80.144%0.43542%0.423SS..Hα-helixtrans-58.1-33.8176.7-20.428.6000113.2A9 I24 V28P5-A9 WeakPolarHBondContact O-CB 3.28Å; P5-A9 PolarHBondContact O-N 3.37Å; P5-A9 VanDerWaalsContact O-N 3.09Å; P5-I24 HydrophobicContact CB-CG2 3.97Å; P5-V28 HydrophobicContact CB-CG2 4.26Å; P5-V28 HydrophobicContact CG-CG2 4.1Å
6Q83.5Confident79.6Confident152 Ų15278.9 Ų78.971%0.7144%0.436SS*.Hα-helixtrans-69.5-42.9-178.5-68.9176.9-11.600111.7S4 L8 A9 E10S4-Q6 PolarHBondContact O-N 3.01Å; Q6-L8 VanDerWaalsContact C-N 3.35Å; Q6-A9 PolarHBondContact O-N 3.35Å; Q6-E10 WeakPolarHBondContact O-CG 3.36Å; Q6-E10 PolarHBondContact O-N 3.46Å; Q6-E10 VanDerWaalsContact O-N 3.08Å
7Q83.1Confident79.5Confident104 Ų10476.2 Ų76.249%0.48642%0.421SS..Hα-helixtrans-68.9-36.6177.9-69.8178.6-46.400111.4S4 A9 E10 E11 E38S4-Q7 PolarHBondContact O-N 3Å; Q7-A9 VanDerWaalsContact C-N 3.32Å; Q7-A9 PolarHBondContact O-N 2.96Å; Q7-E10 PolarHBondContact O-N 3.38Å; Q7-E11 WeakPolarHBondContact O-CG 3.45Å; Q7-E11 PolarHBondContact O-N 2.96Å; Q7-E38 HydrophobicContact CB-CG 4.4Å
8L85.3Confident79Confident0 Ų079.9 Ų79.90%044%0.44CS..Hα-helixtrans-66.5-36177.7-139.5149.4000111.8S4 Q6 L12 L27 V28 E38 V42S4-L8 PolarHBondContact O-N 2.83Å; S4-L8 VanDerWaalsContact O-N 3.14Å; Q6-L8 VanDerWaalsContact C-N 3.35Å; L8-L12 HydrophobicContact CD2-CD1 3.89Å; L8-L12 HydrophobicContact CD2-CG 4.43Å; L8-L12 WeakPolarHBondContact O-CD1 3.5Å; L8-L12 VanDerWaalsContact O-CG 3.3Å; L8-L12 WeakPolarHBondContact O-CG 3.1Å; L8-L12 PolarHBondContact O-N 3.37Å; L8-L12 VanDerWaalsContact O-N 3.08Å; L8-L27 HydrophobicContact CD1-CB 4.23Å; L8-L27 HydrophobicContact CD2-CB 3.66Å; L8-L27 HydrophobicContact CD2-CD1 3.79Å; L8-L27 HydrophobicContact CD2-CG 4.27Å; L8-V28 HydrophobicContact CD1-CG2 3.98Å; L8-E38 HydrophobicContact CB-CB 4.41Å; L8-E38 HydrophobicContact CB-CG 4.24Å; L8-E38 HydrophobicContact CD1-CB 4.32Å; L8-E38 HydrophobicContact CD1-CG 3.99Å; L8-E38 HydrophobicContact CG-CB 4.14Å; L8-E38 HydrophobicContact CG-CG 4.21Å; L8-V42 HydrophobicContact CD2-CG2 3.94Å; L8-V42 HydrophobicContact CG-CG2 4.31Å
9A83.9Confident78.8Confident35 Ų3577.4 Ų77.429%0.28943%0.428SS..Hα-helixtrans-67-42.7172.900000112.4P5 Q6 Q7 L12 Q13 I24P5-A9 WeakPolarHBondContact O-CB 3.28Å; P5-A9 PolarHBondContact O-N 3.37Å; P5-A9 VanDerWaalsContact O-N 3.09Å; Q6-A9 PolarHBondContact O-N 3.35Å; Q7-A9 VanDerWaalsContact C-N 3.32Å; Q7-A9 PolarHBondContact O-N 2.96Å; A9-L12 PolarHBondContact O-N 3.06Å; A9-Q13 WeakPolarHBondContact O-CB 3.4Å; A9-Q13 PolarHBondContact O-N 2.86Å; A9-I24 HydrophobicContact CB-CD1 3.93Å
10E85.2Confident78.9Confident121 Ų12180.8 Ų80.857%0.56544%0.44SS*.Hα-helixtrans-60.5-45.4175.7-73.6174179.800111.3Q6 Q7 Q13 I14Q6-E10 WeakPolarHBondContact O-CG 3.36Å; Q6-E10 PolarHBondContact O-N 3.46Å; Q6-E10 VanDerWaalsContact O-N 3.08Å; Q7-E10 PolarHBondContact O-N 3.38Å; E10-Q13 WeakPolarHBondContact O-CB 3.19Å; E10-Q13 PolarHBondContact O-N 2.95Å; E10-I14 WeakPolarHBondContact O-CG1 3.46Å; E10-I14 PolarHBondContact O-N 3.23Å
11E86Confident78.9Confident45 Ų4584.5 Ų84.521%0.2146%0.455CS..Hα-helixtrans-64.4-41.8178.1-73.3-59.4135.700112.7Q7 Q13 I14 F15 E39 V42Q7-E11 WeakPolarHBondContact O-CG 3.45Å; Q7-E11 PolarHBondContact O-N 2.96Å; E11-Q13 VanDerWaalsContact C-N 3.26Å; E11-Q13 PolarHBondContact O-N 2.9Å; E11-I14 WeakPolarHBondContact O-CB 3.12Å; E11-I14 PolarHBondContact O-N 2.94Å; E11-F15 VanDerWaalsContact O-CD2 3.3Å; E11-F15 WeakPolarHBondContact O-CD2 3.14Å; E11-E39 HydrophobicContact CG-CG 4.18Å; E11-V42 HydrophobicContact CB-CB 4.28Å; E11-V42 HydrophobicContact CB-CG1 4.3Å; E11-V42 HydrophobicContact CB-CG2 3.99Å
12L84Confident80Confident1 Ų179.9 Ų79.91%0.00544%0.442CS..Hα-helixtrans-63.7-34.5175.5-74.8165.5000112.2L8 A9 I14 F15 G16 L17 C19 L27 V42 L45L8-L12 HydrophobicContact CD2-CD1 3.89Å; L8-L12 HydrophobicContact CD2-CG 4.43Å; L8-L12 WeakPolarHBondContact O-CD1 3.5Å; L8-L12 VanDerWaalsContact O-CG 3.3Å; L8-L12 WeakPolarHBondContact O-CG 3.1Å; L8-L12 PolarHBondContact O-N 3.37Å; L8-L12 VanDerWaalsContact O-N 3.08Å; A9-L12 PolarHBondContact O-N 3.06Å; L12-I14 VanDerWaalsContact C-N 3.32Å; L12-I14 PolarHBondContact O-N 2.81Å; L12-F15 PolarHBondContact O-N 3.01Å; L12-G16 PolarHBondContact O-N 3.17Å; L12-L17 HydrophobicContact CB-CB 4.48Å; L12-L17 HydrophobicContact CD2-CB 4.47Å; L12-L17 HydrophobicContact CD2-CD1 4.21Å; L12-L17 PolarHBondContact O-N 2.99Å; L12-L17 VanDerWaalsContact O-N 3.1Å; L12-C19 HydrophobicContact CD1-CB 4.34Å; L12-L27 HydrophobicContact CD1-CD1 3.91Å; L12-V42 HydrophobicContact CD2-CG1 3.94Å; L12-V42 HydrophobicContact CD2-CG2 4.03Å; L12-V42 HydrophobicContact CG-CG1 4.33Å; L12-V42 HydrophobicContact CG-CG2 3.91Å; L12-L45 HydrophobicContact CD2-CD2 4.18Å
13Q83.3Confident81Confident127 Ų12775.1 Ų75.159%0.59341%0.407SS*.Hα-helixtrans-67.9-31.1178.2-165.6169.641.400112.4A9 E10 E11 F15 G16A9-Q13 WeakPolarHBondContact O-CB 3.4Å; A9-Q13 PolarHBondContact O-N 2.86Å; E10-Q13 WeakPolarHBondContact O-CB 3.19Å; E10-Q13 PolarHBondContact O-N 2.95Å; E11-Q13 VanDerWaalsContact C-N 3.26Å; E11-Q13 PolarHBondContact O-N 2.9Å; Q13-F15 PolarHBondContact O-N 2.9Å; Q13-G16 PolarHBondContact O-N 3.27Å
14I83.9Confident81.5Confident116 Ų11675.2 Ų75.260%0.59541%0.405SS*.Hα-helixtrans-56.7-34.3172.9-64.9171.4000111.1E10 E11 L12E10-I14 WeakPolarHBondContact O-CG1 3.46Å; E10-I14 PolarHBondContact O-N 3.23Å; E11-I14 WeakPolarHBondContact O-CB 3.12Å; E11-I14 PolarHBondContact O-N 2.94Å; L12-I14 VanDerWaalsContact C-N 3.32Å; L12-I14 PolarHBondContact O-N 2.81Å
15F79.8Confident81.6Confident104 Ų10479.3 Ų79.346%0.45642%0.421SS..THydrogen-bonded Turntrans-94.99.5179.2-62.3-80.4000113.8E11 L12 Q13 L17 V42 I46E11-F15 VanDerWaalsContact O-CD2 3.3Å; E11-F15 WeakPolarHBondContact O-CD2 3.14Å; L12-F15 PolarHBondContact O-N 3.01Å; Q13-F15 PolarHBondContact O-N 2.9Å; F15-L17 VanDerWaalsContact C-N 3.33Å; F15-L17 PolarHBondContact O-N 2.6Å; F15-V42 HydrophobicContact CD2-CG1 3.86Å; F15-V42 HydrophobicContact CE2-CG1 4.04Å; F15-I46 HydrophobicContact CB-CD1 3.68Å; F15-I46 HydrophobicContact CB-CG1 4.07Å; F15-I46 HydrophobicContact CD1-CG1 4.13Å; F15-I46 HydrophobicContact CD1-CG2 4.23Å; F15-I46 HydrophobicContact CD2-CD1 4.46Å; F15-I46 HydrophobicContact CD2-CG1 4.01Å; F15-I46 HydrophobicContact CG-CD1 3.99Å; F15-I46 HydrophobicContact CG-CG1 3.79Å
16G74.8Confident81.7Confident62 Ų6278.1 Ų78.164%0.63941%0.408SS*.THydrogen-bonded Turntrans70.525.1177.300000114.2L12 Q13L12-G16 PolarHBondContact O-N 3.17Å; Q13-G16 PolarHBondContact O-N 3.27Å
17L77.4Confident81.8Confident33 Ų3370.9 Ų70.917%0.17338%0.375CS..  trans-102.699.2176.9-64.9-178000110.7L12 F15 C19 I46 L57L12-L17 HydrophobicContact CB-CB 4.48Å; L12-L17 HydrophobicContact CD2-CB 4.47Å; L12-L17 HydrophobicContact CD2-CD1 4.21Å; L12-L17 PolarHBondContact O-N 2.99Å; L12-L17 VanDerWaalsContact O-N 3.1Å; F15-L17 VanDerWaalsContact C-N 3.33Å; F15-L17 PolarHBondContact O-N 2.6Å; L17-C19 PolarHBondContact O-N 3.42Å; L17-I46 HydrophobicContact CD1-CD1 3.31Å; L17-I46 HydrophobicContact CG-CD1 4.22Å; L17-L57 HydrophobicContact CD1-CD1 3.83Å
18D70.8Confident82Confident143 Ų14367.1 Ų67.177%0.76536%0.359SS*.  trans-77.3120.5168.2-69.2-33.6000109.4
19C75.1Confident82.1Confident31 Ų3173.5 Ų73.521%0.20939%0.389CS..  trans-118.8144.8-175-63.40000111.7L12 L17 I24L12-C19 HydrophobicContact CD1-CB 4.34Å; L17-C19 PolarHBondContact O-N 3.42Å; C19-I24 HydrophobicContact CB-CD1 4.46Å; C19-I24 HydrophobicContact CB-CG1 4.16Å
20E80.1Confident82.2Confident146 Ų14672 Ų7268%0.68238%0.376SS*.  trans-68.3148.9171.8-64-179.8175.700111A22 L23 I24E20-A22 PolarHBondContact O-N 2.99Å; E20-A22 VanDerWaalsContact O-N 3.15Å; E20-L23 HydrophobicContact CB-CD1 4.46Å; E20-L23 HydrophobicContact CB-CG 4.45Å; E20-L23 WeakPolarHBondContact O-CB 3.47Å; E20-L23 PolarHBondContact O-N 2.82Å; E20-I24 PolarHBondContact O-N 2.93Å
21E78.7Confident82.3Confident158 Ų15866.2 Ų66.274%0.73835%0.349SS*.Hα-helixtrans-54.2-37.3-178.1-163.8168.2-163.400112.3L23 I24 E25E21-L23 VanDerWaalsContact C-N 3.31Å; E21-L23 PolarHBondContact O-N 2.85Å; E21-I24 PolarHBondContact O-N 3.08Å; E21-E25 PolarHBondContact O-N 3.45Å
22A80.8Confident82.2Confident64 Ų6468.2 Ų68.253%0.52936%0.364SS..Hα-helixtrans-64.2-29.3176.400000114.1E20 K26E20-A22 PolarHBondContact O-N 2.99Å; E20-A22 VanDerWaalsContact O-N 3.15Å; A22-K26 PolarHBondContact O-N 2.94Å
23L82.6Confident82.3Confident16 Ų1673.4 Ų73.48%0.08439%0.388CS..Hα-helixtrans-79.5-32.2176.9-60.5175.3000111.1E20 E21 K26 L27 L57 L62E20-L23 HydrophobicContact CB-CD1 4.46Å; E20-L23 HydrophobicContact CB-CG 4.45Å; E20-L23 WeakPolarHBondContact O-CB 3.47Å; E20-L23 PolarHBondContact O-N 2.82Å; E21-L23 VanDerWaalsContact C-N 3.31Å; E21-L23 PolarHBondContact O-N 2.85Å; L23-K26 PolarHBondContact O-N 2.84Å; L23-L27 PolarHBondContact O-N 3.45Å; L23-L57 HydrophobicContact CB-CD2 4.33Å; L23-L57 HydrophobicContact CD1-CD2 4.37Å; L23-L62 HydrophobicContact CB-CD1 4.03Å; L23-L62 HydrophobicContact CD2-CD1 3.85Å; L23-L62 HydrophobicContact CG-CD1 4.48Å
24I84.4Confident82.3Confident21 Ų2169.2 Ų69.211%0.10837%0.367CS..Hα-helixtrans-68.1-43.8175.4-63.6166000109.8P5 A9 C19 E20 E21 K26 L27 V28P5-I24 HydrophobicContact CB-CG2 3.97Å; A9-I24 HydrophobicContact CB-CD1 3.93Å; C19-I24 HydrophobicContact CB-CD1 4.46Å; C19-I24 HydrophobicContact CB-CG1 4.16Å; E20-I24 PolarHBondContact O-N 2.93Å; E21-I24 PolarHBondContact O-N 3.08Å; I24-K26 VanDerWaalsContact C-N 3.3Å; I24-K26 PolarHBondContact O-N 3.21Å; I24-L27 PolarHBondContact O-N 3.48Å; I24-L27 VanDerWaalsContact O-N 3.14Å; I24-V28 WeakPolarHBondContact O-CG2 3.28Å; I24-V28 PolarHBondContact O-N 3.46Å
25E85.7Confident82.2Confident120 Ų12065.6 Ų65.656%0.56136%0.359SS*.Hα-helixtrans-56.9-45174.7-73.6-176.8164.600111.7E21 L27 V28 E29E21-E25 PolarHBondContact O-N 3.45Å; E25-L27 VanDerWaalsContact C-N 3.34Å; E25-L27 PolarHBondContact O-N 2.95Å; E25-V28 WeakPolarHBondContact O-CB 3.44Å; E25-V28 PolarHBondContact O-N 3.17Å; E25-E29 PolarHBondContact O-N 3.25Å
26K86.6Confident82.3Confident41 Ų4161.6 Ų61.618%0.17834%0.341CS..Hα-helixtrans-64-37.7176.5-171.3173.7-177.4174.30113A22 L23 I24 V28 E29 L30 L62 N63A22-K26 PolarHBondContact O-N 2.94Å; L23-K26 PolarHBondContact O-N 2.84Å; I24-K26 VanDerWaalsContact C-N 3.3Å; I24-K26 PolarHBondContact O-N 3.21Å; K26-V28 VanDerWaalsContact C-N 3.34Å; K26-E29 WeakPolarHBondContact O-CB 3.38Å; K26-E29 PolarHBondContact O-N 2.9Å; K26-L30 WeakPolarHBondContact O-CG 3.39Å; K26-L30 PolarHBondContact O-N 2.86Å; K26-L62 HydrophobicContact CD-CB 4.47Å; K26-L62 HydrophobicContact CD-CD1 4.33Å; K26-N63 PolarHBondContact NZ-OD1 3.17Å
27L85.6Confident82.9Confident0 Ų062.2 Ų62.20%033%0.33CS..Hα-helixtrans-67.1-36.1174.7-84.1165.7000112.2L8 L12 L23 I24 E25 E29 L30 C31 M41 L45 L57 L62L8-L27 HydrophobicContact CD1-CB 4.23Å; L8-L27 HydrophobicContact CD2-CB 3.66Å; L8-L27 HydrophobicContact CD2-CD1 3.79Å; L8-L27 HydrophobicContact CD2-CG 4.27Å; L12-L27 HydrophobicContact CD1-CD1 3.91Å; L23-L27 PolarHBondContact O-N 3.45Å; I24-L27 PolarHBondContact O-N 3.48Å; I24-L27 VanDerWaalsContact O-N 3.14Å; E25-L27 VanDerWaalsContact C-N 3.34Å; E25-L27 PolarHBondContact O-N 2.95Å; L27-E29 VanDerWaalsContact C-N 3.34Å; L27-L30 HydrophobicContact CD2-CD1 4.38Å; L27-L30 PolarHBondContact O-N 3.5Å; L27-C31 PolarHBondContact O-N 2.83Å; L27-C31 PolarHBondContact O-SG 3.02Å; L27-M41 HydrophobicContact CD2-CG 4.06Å; L27-L45 HydrophobicContact CD1-CD2 3.95Å; L27-L45 HydrophobicContact CD2-CD2 3.9Å; L27-L57 HydrophobicContact CD1-CD2 4.07Å; L27-L62 HydrophobicContact CD1-CD2 4.16Å; L27-L62 HydrophobicContact CD2-CD2 3.54Å; L27-L62 HydrophobicContact CG-CD1 4.3Å; L27-L62 HydrophobicContact CG-CD2 3.73Å
28V87.8Confident83.3Confident26 Ų2662 Ų6216%0.15833%0.328CS..Hα-helixtrans-62.4-42.9172.7169.80000110.6A3 P5 L8 I24 E25 K26 L30 C31 V32A3-V28 HydrophobicContact CB-CG1 4.2Å; P5-V28 HydrophobicContact CB-CG2 4.26Å; P5-V28 HydrophobicContact CG-CG2 4.1Å; L8-V28 HydrophobicContact CD1-CG2 3.98Å; I24-V28 WeakPolarHBondContact O-CG2 3.28Å; I24-V28 PolarHBondContact O-N 3.46Å; E25-V28 WeakPolarHBondContact O-CB 3.44Å; E25-V28 PolarHBondContact O-N 3.17Å; K26-V28 VanDerWaalsContact C-N 3.34Å; V28-L30 VanDerWaalsContact C-N 3.34Å; V28-L30 PolarHBondContact O-N 3.42Å; V28-C31 WeakPolarHBondContact O-CB 3.06Å; V28-C31 PolarHBondContact O-N 3.32Å; V28-V32 WeakPolarHBondContact O-CG2 3.17Å; V28-V32 PolarHBondContact O-N 2.69Å; V28-V32 VanDerWaalsContact O-N 3.08Å
29E87.2Confident84Confident133 Ų13361.2 Ų61.262%0.62132%0.32SS*.Hα-helixtrans-58.5-45.2173.1-69.5179.1168.300111.7E25 K26 L27 C31 V32 Q33E25-E29 PolarHBondContact O-N 3.25Å; K26-E29 WeakPolarHBondContact O-CB 3.38Å; K26-E29 PolarHBondContact O-N 2.9Å; L27-E29 VanDerWaalsContact C-N 3.34Å; E29-C31 PolarHBondContact O-N 3.15Å; E29-V32 PolarHBondContact O-N 2.64Å; E29-Q33 WeakPolarHBondContact O-CB 3.33Å; E29-Q33 PolarHBondContact O-N 3.02Å
30L86.5Confident84.5Confident3 Ų360.8 Ų60.82%0.01632%0.321CS..Hα-helixtrans-63.8-39.7176.6-67.4174.7000112.1K26 L27 V28 V32 Q33 Y34 M41 E66 L70K26-L30 WeakPolarHBondContact O-CG 3.39Å; K26-L30 PolarHBondContact O-N 2.86Å; L27-L30 HydrophobicContact CD2-CD1 4.38Å; L27-L30 PolarHBondContact O-N 3.5Å; V28-L30 VanDerWaalsContact C-N 3.34Å; V28-L30 PolarHBondContact O-N 3.42Å; L30-V32 VanDerWaalsContact C-N 3.29Å; L30-V32 PolarHBondContact O-N 3.23Å; L30-Q33 PolarHBondContact O-N 3.14Å; L30-Y34 HydrophobicContact CB-CD2 4.43Å; L30-Y34 HydrophobicContact CD2-CD2 4.1Å; L30-Y34 HydrophobicContact CD2-CE2 3.67Å; L30-Y34 WeakPolarHBondContact O-CB 3.46Å; L30-Y34 VanDerWaalsContact O-CD2 3.32Å; L30-Y34 WeakPolarHBondContact O-CD2 3.34Å; L30-Y34 PolarHBondContact O-N 3.12Å; L30-M41 HydrophobicContact CB-CE 3.98Å; L30-M41 WeakPolarHBondContact O-CE 3.31Å; L30-E66 HydrophobicContact CD2-CB 4.13Å; L30-E66 VanDerWaalsContact CD2-CD 3.43Å; L30-E66 HydrophobicContact CD2-CG 3.7Å; L30-L70 HydrophobicContact CB-CD1 4.42Å; L30-L70 HydrophobicContact CD1-CD1 4.27Å; L30-L70 HydrophobicContact CD2-CD1 4.28Å
31C86.8Confident84.8Confident1 Ų153.8 Ų53.81%0.00729%0.288CS..Hα-helixtrans-59.7-42.1175.4-73.30000111.5A3 L27 V28 E29 G35 Q36 M41A3-C31 HydrophobicContact CB-CB 3.61Å; L27-C31 PolarHBondContact O-N 2.83Å; L27-C31 PolarHBondContact O-SG 3.02Å; V28-C31 WeakPolarHBondContact O-CB 3.06Å; V28-C31 PolarHBondContact O-N 3.32Å; E29-C31 PolarHBondContact O-N 3.15Å; C31-G35 WeakPolarHBondContact O-CA 3.35Å; C31-G35 PolarHBondContact O-N 2.62Å; C31-Q36 PolarHBondContact O-N 3.47Å; C31-M41 WeakPolarHBondContact SG-CB 3.47Å; C31-M41 VanDerWaalsContact SG-CG 3.58Å
32V85.5Confident85.3Confident86 Ų8646.3 Ų46.352%0.52125%0.253SS..Hα-helixtrans-68.2-46.6177.2175.90000111V28 E29 L30 Y34 G35V28-V32 WeakPolarHBondContact O-CG2 3.17Å; V28-V32 PolarHBondContact O-N 2.69Å; V28-V32 VanDerWaalsContact O-N 3.08Å; E29-V32 PolarHBondContact O-N 2.64Å; L30-V32 VanDerWaalsContact C-N 3.29Å; L30-V32 PolarHBondContact O-N 3.23Å; V32-Y34 PolarHBondContact O-N 3.14Å; V32-G35 PolarHBondContact O-N 3.07Å
33Q85.6Confident85.5Confident110 Ų11044.9 Ų44.951%0.51425%0.245SC..Hα-helixtrans-66.3-38.2-176.4-177.5177.8-20.500112.9E29 L30 E66E29-Q33 WeakPolarHBondContact O-CB 3.33Å; E29-Q33 PolarHBondContact O-N 3.02Å; L30-Q33 PolarHBondContact O-N 3.14Å; Q33-E66 PolarHBondContact NE2-OE1 3.23Å
34Y82.7Confident85.8Confident39 Ų3945.8 Ų45.815%0.15325%0.248CC..Hα-helixtrans-100.62.6-177.5-66.7-91.1000113.4L30 V32 Q36 E66 L70 L74L30-Y34 HydrophobicContact CB-CD2 4.43Å; L30-Y34 HydrophobicContact CD2-CD2 4.1Å; L30-Y34 HydrophobicContact CD2-CE2 3.67Å; L30-Y34 WeakPolarHBondContact O-CB 3.46Å; L30-Y34 VanDerWaalsContact O-CD2 3.32Å; L30-Y34 WeakPolarHBondContact O-CD2 3.34Å; L30-Y34 PolarHBondContact O-N 3.12Å; V32-Y34 PolarHBondContact O-N 3.14Å; Y34-Q36 PolarHBondContact O-N 2.98Å; Y34-E66 HydrophobicContact CE2-CG 4.09Å; Y34-E66 WeakPolarHBondContact OH-CG 3.4Å; Y34-E66 PolarHBondContact OH-OE1 2.61Å; Y34-L70 HydrophobicContact CD1-CB 3.78Å; Y34-L70 HydrophobicContact CD2-CB 4.33Å; Y34-L70 HydrophobicContact CD2-CD1 3.97Å; Y34-L70 VanDerWaalsContact CE1-C 3.44Å; Y34-L70 HydrophobicContact CE1-CB 3.48Å; Y34-L70 VanDerWaalsContact CE1-CB 3.48Å; Y34-L70 WeakPolarHBondContact CE1-O 3.25Å; Y34-L70 HydrophobicContact CE2-CB 4.09Å; Y34-L70 HydrophobicContact CE2-CD1 4.06Å; Y34-L70 HydrophobicContact CG-CB 4.22Å; Y34-L70 HydrophobicContact CG-CD1 4.34Å; Y34-L74 HydrophobicContact CD1-CB 4.4Å; Y34-L74 HydrophobicContact CD1-CD1 3.58Å; Y34-L74 HydrophobicContact CD1-CG 4.15Å; Y34-L74 HydrophobicContact CE1-CB 4.15Å; Y34-L74 HydrophobicContact CE1-CD1 3.43Å; Y34-L74 VanDerWaalsContact CE1-CD1 3.43Å; Y34-L74 HydrophobicContact CE1-CG 4.19Å; Y34-L74 HydrophobicContact CG-CD1 4.49Å
35G82Confident85.9Confident41 Ų4144.8 Ų44.842%0.42324%0.243SC..THydrogen-bonded Turntrans58.945.8175.900000112.9M1 C31 V32M1-G35 WeakPolarHBondContact CE-O 3.34Å; C31-G35 WeakPolarHBondContact O-CA 3.35Å; C31-G35 PolarHBondContact O-N 2.62Å; V32-G35 PolarHBondContact O-N 3.07Å
36Q82.6Confident86Confident19 Ų1940.7 Ų40.79%0.08923%0.225CC..  trans-115.6154.7175.9-65.2-154.49.500111.8C31 Y34 M41 E44 R73C31-Q36 PolarHBondContact O-N 3.47Å; Y34-Q36 PolarHBondContact O-N 2.98Å; Q36-M41 HydrophobicContact CB-CE 4.17Å; Q36-E44 VanDerWaalsContact NE2-CD 3.34Å; Q36-E44 PolarHBondContact NE2-OE1 2.78Å; Q36-E44 PolarHBondContact NE2-OE2 2.79Å; Q36-E44 VanDerWaalsContact NE2-OE2 3.1Å; Q36-E44 PolarHBondContact OE1-OE1 2.73Å; Q36-R73 VanDerWaalsContact NE2-CZ 3.3Å; Q36-R73 VanDerWaalsContact NE2-NH2 3.16Å
37N86.9Confident85.9Confident76 Ų7641.3 Ų41.341%0.40624%0.238SC..  trans-79.3164.9167.866.2-17000110.8E39 G40 M41N37-E39 PolarHBondContact O-N 2.96Å; N37-G40 PolarHBondContact O-N 3.38Å; N37-G40 WeakPolarHBondContact OD1-CA 3.23Å; N37-G40 PolarHBondContact OD1-N 3.04Å; N37-G40 VanDerWaalsContact OD1-N 3.1Å; N37-M41 PolarHBondContact O-N 3.16Å
38E85.4Confident86Confident29 Ų2941.7 Ų41.714%0.13624%0.239CC..Hα-helixtrans-59.3-46.9-175.3-60.387.2163.400111.5A3 S4 Q7 L8 G40 M41 V42A3-E38 WeakPolarHBondContact CA-OE1 3.47Å; A3-E38 HydrophobicContact CB-CG 4.28Å; S4-E38 PolarHBondContact N-OE1 3.09Å; Q7-E38 HydrophobicContact CB-CG 4.4Å; L8-E38 HydrophobicContact CB-CB 4.41Å; L8-E38 HydrophobicContact CB-CG 4.24Å; L8-E38 HydrophobicContact CD1-CB 4.32Å; L8-E38 HydrophobicContact CD1-CG 3.99Å; L8-E38 HydrophobicContact CG-CB 4.14Å; L8-E38 HydrophobicContact CG-CG 4.21Å; E38-G40 PolarHBondContact O-N 2.56Å; E38-M41 PolarHBondContact O-N 3.08Å; E38-V42 WeakPolarHBondContact O-CB 3.27Å; E38-V42 WeakPolarHBondContact O-CG2 3.5Å; E38-V42 PolarHBondContact O-N 3.02Å
39E85.9Confident85.9Confident125 Ų12541.1 Ų41.158%0.58424%0.236SC*.Hα-helixtrans-59.6-45177.1-65.7177.1-171.900112.2E11 N37 G43E11-E39 HydrophobicContact CG-CG 4.18Å; N37-E39 PolarHBondContact O-N 2.96Å; E39-G43 PolarHBondContact O-N 3.46Å
40G85.1Confident85.7Confident22 Ų2239.2 Ų39.223%0.22723%0.234CC..Hα-helixtrans-65.8-44.5-179.800000112.3N37 E38 G43 E44N37-G40 PolarHBondContact O-N 3.38Å; N37-G40 WeakPolarHBondContact OD1-CA 3.23Å; N37-G40 PolarHBondContact OD1-N 3.04Å; N37-G40 VanDerWaalsContact OD1-N 3.1Å; E38-G40 PolarHBondContact O-N 2.56Å; G40-G43 PolarHBondContact O-N 3.3Å; G40-E44 WeakPolarHBondContact O-CG 3.42Å; G40-E44 PolarHBondContact O-N 3.28Å
41M87.2Confident85.6Confident0 Ų043.1 Ų43.10%026%0.262CS..Hα-helixtrans-64.4-44.2179.1-173.963.374.300111.7L27 L30 C31 Q36 N37 E38 E44 L45 F65 L70L27-M41 HydrophobicContact CD2-CG 4.06Å; L30-M41 HydrophobicContact CB-CE 3.98Å; L30-M41 WeakPolarHBondContact O-CE 3.31Å; C31-M41 WeakPolarHBondContact SG-CB 3.47Å; C31-M41 VanDerWaalsContact SG-CG 3.58Å; Q36-M41 HydrophobicContact CB-CE 4.17Å; N37-M41 PolarHBondContact O-N 3.16Å; E38-M41 PolarHBondContact O-N 3.08Å; M41-E44 PolarHBondContact O-N 3.29Å; M41-L45 WeakPolarHBondContact O-CB 3.45Å; M41-L45 PolarHBondContact O-N 3.37Å; M41-F65 HydrophobicContact SD-CE1 3.7Å; M41-F65 HydrophobicContact SD-CZ 4.12Å; M41-L70 HydrophobicContact CE-CD1 4.23Å; M41-L70 HydrophobicContact SD-CD1 3.97Å; M41-L70 HydrophobicContact SD-CD2 4.19Å
42V88.6Confident85.3Confident0 Ų045.3 Ų45.30%028%0.275CS..Hα-helixtrans-65.1-45177.2172.80000110.5L8 E11 L12 F15 E38 E44 L45 I46L8-V42 HydrophobicContact CD2-CG2 3.94Å; L8-V42 HydrophobicContact CG-CG2 4.31Å; E11-V42 HydrophobicContact CB-CB 4.28Å; E11-V42 HydrophobicContact CB-CG1 4.3Å; E11-V42 HydrophobicContact CB-CG2 3.99Å; L12-V42 HydrophobicContact CD2-CG1 3.94Å; L12-V42 HydrophobicContact CD2-CG2 4.03Å; L12-V42 HydrophobicContact CG-CG1 4.33Å; L12-V42 HydrophobicContact CG-CG2 3.91Å; F15-V42 HydrophobicContact CD2-CG1 3.86Å; F15-V42 HydrophobicContact CE2-CG1 4.04Å; E38-V42 WeakPolarHBondContact O-CB 3.27Å; E38-V42 WeakPolarHBondContact O-CG2 3.5Å; E38-V42 PolarHBondContact O-N 3.02Å; V42-E44 VanDerWaalsContact C-N 3.3Å; V42-E44 PolarHBondContact O-N 3.26Å; V42-L45 WeakPolarHBondContact O-CB 3.33Å; V42-L45 PolarHBondContact O-N 2.74Å; V42-I46 HydrophobicContact CG1-CG1 4.25Å; V42-I46 VanDerWaalsContact O-CG1 3.3Å; V42-I46 WeakPolarHBondContact O-CG1 3.23Å; V42-I46 PolarHBondContact O-N 3.46Å
43G85.6Confident84.8Confident34 Ų3449.3 Ų49.335%0.35129%0.288SS..Hα-helixtrans-57.4-41.5177.200000113.3E39 G40 A47E39-G43 PolarHBondContact O-N 3.46Å; G40-G43 PolarHBondContact O-N 3.3Å; G43-A47 WeakPolarHBondContact O-CB 3.44Å; G43-A47 PolarHBondContact O-N 3.48Å
44E87.7Confident84.2Confident35 Ų3547.5 Ų47.516%0.16428%0.278CS..Hα-helixtrans-70-38.6177.2-75.1176.8-152.100112.9Q36 G40 M41 V42 A47 F48 F65 F69 R73Q36-E44 VanDerWaalsContact NE2-CD 3.34Å; Q36-E44 PolarHBondContact NE2-OE1 2.78Å; Q36-E44 PolarHBondContact NE2-OE2 2.79Å; Q36-E44 VanDerWaalsContact NE2-OE2 3.1Å; Q36-E44 PolarHBondContact OE1-OE1 2.73Å; G40-E44 WeakPolarHBondContact O-CG 3.42Å; G40-E44 PolarHBondContact O-N 3.28Å; M41-E44 PolarHBondContact O-N 3.29Å; V42-E44 VanDerWaalsContact C-N 3.3Å; V42-E44 PolarHBondContact O-N 3.26Å; E44-A47 PolarHBondContact O-N 3.03Å; E44-F48 WeakPolarHBondContact O-CB 3.13Å; E44-F48 PolarHBondContact O-N 2.82Å; E44-F65 HydrophobicContact CB-CE2 4.2Å; E44-F65 HydrophobicContact CB-CZ 3.88Å; E44-F69 HydrophobicContact CB-CE1 4.04Å; E44-F69 HydrophobicContact CG-CE1 4.17Å; E44-F69 WeakPolarHBondContact OE2-CE1 3.21Å; E44-R73 IonicContact OE1-CZ 3.45Å; E44-R73 IonicContact OE1-NH1 2.89Å; E44-R73 PolarHBondContact OE1-NH1 2.87Å; E44-R73 IonicContact OE1-NH2 3.12Å; E44-R73 IonicContact OE2-CZ 2.79Å; E44-R73 IonicContact OE2-NH1 2.76Å; E44-R73 PolarHBondContact OE2-NH1 3.28Å
45L87Confident83.4Confident0 Ų052.6 Ų52.60%031%0.313CS..Hα-helixtrans-62.7-44.3174.9-177.864.2000111.1L12 L27 M41 V42 F48 C49 L57 L62 F65L12-L45 HydrophobicContact CD2-CD2 4.18Å; L27-L45 HydrophobicContact CD1-CD2 3.95Å; L27-L45 HydrophobicContact CD2-CD2 3.9Å; M41-L45 WeakPolarHBondContact O-CB 3.45Å; M41-L45 PolarHBondContact O-N 3.37Å; V42-L45 WeakPolarHBondContact O-CB 3.33Å; V42-L45 PolarHBondContact O-N 2.74Å; L45-F48 PolarHBondContact O-N 3.26Å; L45-C49 WeakPolarHBondContact O-CB 3.4Å; L45-C49 PolarHBondContact O-N 3.25Å; L45-C49 PolarHBondContact O-SG 3.03Å; L45-L57 HydrophobicContact CD1-CD1 4.4Å; L45-L57 HydrophobicContact CD2-CD1 3.58Å; L45-L57 HydrophobicContact CD2-CD2 4.33Å; L45-L57 HydrophobicContact CG-CD1 4.05Å; L45-L62 HydrophobicContact CD1-CD2 3.9Å; L45-L62 HydrophobicContact CD2-CD2 4.18Å; L45-F65 HydrophobicContact CB-CE1 4.08Å; L45-F65 HydrophobicContact CB-CZ 4.05Å; L45-F65 HydrophobicContact CD1-CB 4.11Å; L45-F65 HydrophobicContact CD1-CD1 3.58Å; L45-F65 HydrophobicContact CD1-CD2 4.25Å; L45-F65 HydrophobicContact CD1-CE1 3.95Å; L45-F65 HydrophobicContact CD1-CG 3.72Å; L45-F65 HydrophobicContact CD1-CZ 4.45Å
46I86.9Confident82.7Confident34 Ų3452.2 Ų52.217%0.17431%0.309CS..Hα-helixtrans-63.3-43.4175.4-63.2-58.2000111F15 L17 V42 F48 C49 T50F15-I46 HydrophobicContact CB-CD1 3.68Å; F15-I46 HydrophobicContact CB-CG1 4.07Å; F15-I46 HydrophobicContact CD1-CG1 4.13Å; F15-I46 HydrophobicContact CD1-CG2 4.23Å; F15-I46 HydrophobicContact CD2-CD1 4.46Å; F15-I46 HydrophobicContact CD2-CG1 4.01Å; F15-I46 HydrophobicContact CG-CD1 3.99Å; F15-I46 HydrophobicContact CG-CG1 3.79Å; L17-I46 HydrophobicContact CD1-CD1 3.31Å; L17-I46 HydrophobicContact CG-CD1 4.22Å; V42-I46 HydrophobicContact CG1-CG1 4.25Å; V42-I46 VanDerWaalsContact O-CG1 3.3Å; V42-I46 WeakPolarHBondContact O-CG1 3.23Å; V42-I46 PolarHBondContact O-N 3.46Å; I46-F48 VanDerWaalsContact C-N 3.32Å; I46-F48 PolarHBondContact O-N 2.95Å; I46-C49 PolarHBondContact O-N 2.64Å; I46-T50 WeakPolarHBondContact O-CB 3.26Å; I46-T50 PolarHBondContact O-N 2.79Å; I46-T50 PolarHBondContact O-OG1 2.85Å
47A86.2Confident82.3Confident54 Ų5452.4 Ų52.445%0.44631%0.311SS..Hα-helixtrans-60.5-42.6176.100000111.6G43 E44 T50 S51G43-A47 WeakPolarHBondContact O-CB 3.44Å; G43-A47 PolarHBondContact O-N 3.48Å; E44-A47 PolarHBondContact O-N 3.03Å; A47-T50 PolarHBondContact O-N 3.48Å; A47-S51 WeakPolarHBondContact O-CB 3.4Å; A47-S51 PolarHBondContact O-N 3.06Å; A47-S51 PolarHBondContact O-OG 2.85Å
48F87.3Confident82Confident9 Ų951.8 Ų51.84%0.03931%0.31CS..Hα-helixtrans-63.2-49.4176.2177.5-103.1000112E44 L45 I46 T50 S51 T52 I61 F65 E68 F69E44-F48 WeakPolarHBondContact O-CB 3.13Å; E44-F48 PolarHBondContact O-N 2.82Å; L45-F48 PolarHBondContact O-N 3.26Å; I46-F48 VanDerWaalsContact C-N 3.32Å; I46-F48 PolarHBondContact O-N 2.95Å; F48-T50 VanDerWaalsContact C-N 3.29Å; F48-T50 PolarHBondContact O-N 2.8Å; F48-S51 PolarHBondContact O-N 3.15Å; F48-S51 PolarHBondContact O-OG 3.43Å; F48-T52 HydrophobicContact CD2-CG2 4.19Å; F48-T52 HydrophobicContact CE2-CG2 3.84Å; F48-T52 HydrophobicContact CZ-CG2 4.02Å; F48-T52 WeakPolarHBondContact O-CB 3.36Å; F48-T52 WeakPolarHBondContact O-CG2 3.49Å; F48-T52 PolarHBondContact O-N 3Å; F48-T52 PolarHBondContact O-OG1 3.25Å; F48-I61 HydrophobicContact CE1-CG2 4.47Å; F48-F65 HydrophobicContact CB-CD2 3.55Å; F48-F65 HydrophobicContact CB-CE2 3.85Å; F48-F65 HydrophobicContact CD1-CB 3.77Å; F48-F65 AromaticContact CD1-CD2 3.77Å; F48-F65 HydrophobicContact CD1-CD2 3.77Å; F48-F65 HydrophobicContact CD1-CG 4.18Å; F48-F65 HydrophobicContact CD2-CD2 4.16Å; F48-F65 HydrophobicContact CE1-CB 3.81Å; F48-F65 HydrophobicContact CG-CB 4.38Å; F48-F65 AromaticContact CG-CD2 3.56Å; F48-F65 HydrophobicContact CG-CD2 3.56Å; F48-F65 HydrophobicContact CG-CE2 4.34Å; F48-F65 HydrophobicContact CG-CG 4.41Å; F48-F65 HydrophobicContact CZ-CB 4.46Å; F48-E68 HydrophobicContact CE2-CB 4.38Å; F48-F69 HydrophobicContact CD2-CB 4.08Å; F48-F69 HydrophobicContact CD2-CG 4.46Å; F48-F69 HydrophobicContact CE2-CB 4.4Å
49C84.7Confident81.8Confident13 Ų1353.4 Ų53.49%0.08832%0.324CS..Hα-helixtrans-60-40.2177.5-69.70000111.8L45 I46 T52 H53 K54L45-C49 WeakPolarHBondContact O-CB 3.4Å; L45-C49 PolarHBondContact O-N 3.25Å; L45-C49 PolarHBondContact O-SG 3.03Å; I46-C49 PolarHBondContact O-N 2.64Å; C49-T52 PolarHBondContact O-N 3.05Å; C49-H53 PolarHBondContact O-N 2.9Å; C49-K54 PolarHBondContact O-N 3.46Å
50T83.6Confident81.5Confident94 Ų9454.7 Ų54.758%0.57733%0.33SS*.Hα-helixtrans-64.5-45.8176.9-55.30000111.3I46 A47 F48 T52 H53I46-T50 WeakPolarHBondContact O-CB 3.26Å; I46-T50 PolarHBondContact O-N 2.79Å; I46-T50 PolarHBondContact O-OG1 2.85Å; A47-T50 PolarHBondContact O-N 3.48Å; F48-T50 VanDerWaalsContact C-N 3.29Å; F48-T50 PolarHBondContact O-N 2.8Å; T50-T52 VanDerWaalsContact C-N 3.3Å; T50-T52 PolarHBondContact O-N 3.13Å; T50-H53 PolarHBondContact O-N 3.41Å
51S84.1Confident81.5Confident85 Ų8554.3 Ų54.359%0.59432%0.323SS*.Hα-helixtrans-69-26.7-179.170.70000113.8A47 F48A47-S51 WeakPolarHBondContact O-CB 3.4Å; A47-S51 PolarHBondContact O-N 3.06Å; A47-S51 PolarHBondContact O-OG 2.85Å; F48-S51 PolarHBondContact O-N 3.15Å; F48-S51 PolarHBondContact O-OG 3.43Å
52T80.1Confident81.4Confident46 Ų4654.3 Ų54.328%0.28232%0.323SS..Hα-helixtrans-100.71.8-177.756.60000113.3F48 C49 T50 K54F48-T52 HydrophobicContact CD2-CG2 4.19Å; F48-T52 HydrophobicContact CE2-CG2 3.84Å; F48-T52 HydrophobicContact CZ-CG2 4.02Å; F48-T52 WeakPolarHBondContact O-CB 3.36Å; F48-T52 WeakPolarHBondContact O-CG2 3.49Å; F48-T52 PolarHBondContact O-N 3Å; F48-T52 PolarHBondContact O-OG1 3.25Å; C49-T52 PolarHBondContact O-N 3.05Å; T50-T52 VanDerWaalsContact C-N 3.3Å; T50-T52 PolarHBondContact O-N 3.13Å; T52-K54 PolarHBondContact O-N 3.11Å
53H75.6Confident81.2Confident171 Ų17157.3 Ų57.379%0.79234%0.339SS*.THydrogen-bonded Turntrans51.531.9-176.6-63.1-64.4000114.1C49 T50C49-H53 PolarHBondContact O-N 2.9Å; T50-H53 PolarHBondContact O-N 3.41Å
54K73.9Confident81.1Confident71 Ų7157 Ų5731%0.30933%0.332SS..  trans-89.7128177.9-61.2-170.9-170.6176.60109.6C49 T52 I61 S64C49-K54 PolarHBondContact O-N 3.46Å; T52-K54 PolarHBondContact O-N 3.11Å; K54-I61 HydrophobicContact CB-CD1 3.93Å; K54-I61 HydrophobicContact CB-CG1 4.42Å; K54-I61 HydrophobicContact CD-CD1 4.22Å; K54-I61 HydrophobicContact CD-CG1 3.8Å; K54-I61 HydrophobicContact CD-CG2 4.42Å; K54-S64 PolarHBondContact NZ-OG 2.87Å
55V63.8Low81.1Confident146 Ų14655.4 Ų55.489%0.88532%0.324SS*.  trans-104.2120.6-176.4-176.80000109.4
56G67.9Low81.2Confident34 Ų3456.9 Ų56.935%0.35133%0.331SS..SBendtrans90.4156.918000000113.8I61G56-I61 WeakPolarHBondContact O-CD1 3.33Å
57L75Confident81Confident23 Ų2361.2 Ų61.212%0.1235%0.35CS..  trans-93.7119.9176.6-136.295.4000110.2L17 L23 L27 L45 L62L17-L57 HydrophobicContact CD1-CD1 3.83Å; L23-L57 HydrophobicContact CB-CD2 4.33Å; L23-L57 HydrophobicContact CD1-CD2 4.37Å; L27-L57 HydrophobicContact CD1-CD2 4.07Å; L45-L57 HydrophobicContact CD1-CD1 4.4Å; L45-L57 HydrophobicContact CD2-CD1 3.58Å; L45-L57 HydrophobicContact CD2-CD2 4.33Å; L45-L57 HydrophobicContact CG-CD1 4.05Å; L57-L62 HydrophobicContact CD2-CD1 3.87Å; L57-L62 HydrophobicContact CD2-CD2 4.17Å; L57-L62 HydrophobicContact CD2-CG 4.01Å
58T81.3Confident80.9Confident63 Ų6363.3 Ų63.339%0.38735%0.35SS..  trans-127.2160.3171.667.50000110.1E60 I61 L62T58-E60 PolarHBondContact O-N 3.18Å; T58-I61 HydrophobicContact CG2-CD1 4.47Å; T58-I61 PolarHBondContact O-N 3.3Å; T58-I61 WeakPolarHBondContact OG1-CG1 3.2Å; T58-I61 PolarHBondContact OG1-N 3Å; T58-L62 PolarHBondContact O-N 2.92Å; T58-L62 VanDerWaalsContact O-N 3.1Å
59S79.8Confident80.6Confident62 Ų6266.4 Ų66.443%0.43436%0.364SS..Hα-helixtrans-57.3-33.3177.3-174.50000112.6L62 N63S59-L62 PolarHBondContact O-N 2.88Å; S59-N63 PolarHBondContact O-N 3.16Å; S59-N63 PolarHBondContact O-ND2 3.28Å
60E81Confident80.6Confident152 Ų15265.9 Ų65.971%0.7136%0.36SS*.Hα-helixtrans-66.4-39.5175.4-65.6178.2178.500112.3T58 N63 S64T58-E60 PolarHBondContact O-N 3.18Å; E60-N63 PolarHBondContact O-N 2.94Å; E60-S64 PolarHBondContact O-N 3.47Å; E60-S64 PolarHBondContact O-OG 2.76Å
61I83.5Confident80.5Confident14 Ų1463.6 Ų63.67%0.07235%0.349CS..Hα-helixtrans-68.3-40.9178.1-66.3170000110.7F48 K54 G56 T58 N63 S64 F65F48-I61 HydrophobicContact CE1-CG2 4.47Å; K54-I61 HydrophobicContact CB-CD1 3.93Å; K54-I61 HydrophobicContact CB-CG1 4.42Å; K54-I61 HydrophobicContact CD-CD1 4.22Å; K54-I61 HydrophobicContact CD-CG1 3.8Å; K54-I61 HydrophobicContact CD-CG2 4.42Å; G56-I61 WeakPolarHBondContact O-CD1 3.33Å; T58-I61 HydrophobicContact CG2-CD1 4.47Å; T58-I61 PolarHBondContact O-N 3.3Å; T58-I61 WeakPolarHBondContact OG1-CG1 3.2Å; T58-I61 PolarHBondContact OG1-N 3Å; I61-N63 VanDerWaalsContact C-N 3.34Å; I61-S64 PolarHBondContact O-N 3.32Å; I61-F65 WeakPolarHBondContact O-CB 3.42Å; I61-F65 PolarHBondContact O-N 2.6Å
62L84.7Confident80.1Confident0 Ų065.6 Ų65.60%035%0.347CS..Hα-helixtrans-63.1-39.6174.3-78.4173.6000112.2L23 K26 L27 L45 L57 T58 S59 F65 E66L23-L62 HydrophobicContact CB-CD1 4.03Å; L23-L62 HydrophobicContact CD2-CD1 3.85Å; L23-L62 HydrophobicContact CG-CD1 4.48Å; K26-L62 HydrophobicContact CD-CB 4.47Å; K26-L62 HydrophobicContact CD-CD1 4.33Å; L27-L62 HydrophobicContact CD1-CD2 4.16Å; L27-L62 HydrophobicContact CD2-CD2 3.54Å; L27-L62 HydrophobicContact CG-CD1 4.3Å; L27-L62 HydrophobicContact CG-CD2 3.73Å; L45-L62 HydrophobicContact CD1-CD2 3.9Å; L45-L62 HydrophobicContact CD2-CD2 4.18Å; L57-L62 HydrophobicContact CD2-CD1 3.87Å; L57-L62 HydrophobicContact CD2-CD2 4.17Å; L57-L62 HydrophobicContact CD2-CG 4.01Å; T58-L62 PolarHBondContact O-N 2.92Å; T58-L62 VanDerWaalsContact O-N 3.1Å; S59-L62 PolarHBondContact O-N 2.88Å; L62-F65 PolarHBondContact O-N 3.25Å; L62-E66 PolarHBondContact O-N 3.25Å
63N85Confident79.6Confident63 Ų6368.7 Ų68.734%0.33735%0.353SS..Hα-helixtrans-62.8-45.1173-76-31.3000111.8K26 S59 E60 I61 F65 E66 H67K26-N63 PolarHBondContact NZ-OD1 3.17Å; S59-N63 PolarHBondContact O-N 3.16Å; S59-N63 PolarHBondContact O-ND2 3.28Å; E60-N63 PolarHBondContact O-N 2.94Å; I61-N63 VanDerWaalsContact C-N 3.34Å; N63-F65 VanDerWaalsContact C-N 3.32Å; N63-F65 PolarHBondContact O-N 3.46Å; N63-E66 PolarHBondContact O-N 2.72Å; N63-H67 PolarHBondContact O-CD2 3.29Å; N63-H67 VanDerWaalsContact O-CD2 3.23Å; N63-H67 PolarHBondContact O-N 3.01Å
64S84.9Confident78.9Confident29 Ų2963.4 Ų63.420%0.20333%0.33CS..Hα-helixtrans-61.6-41.8175.1-65.40000111.6K54 E60 I61 H67 E68K54-S64 PolarHBondContact NZ-OG 2.87Å; E60-S64 PolarHBondContact O-N 3.47Å; E60-S64 PolarHBondContact O-OG 2.76Å; I61-S64 PolarHBondContact O-N 3.32Å; S64-H67 PolarHBondContact O-N 3.42Å; S64-E68 WeakPolarHBondContact O-CB 3.37Å; S64-E68 WeakPolarHBondContact O-CG 3.48Å; S64-E68 PolarHBondContact O-N 3.44Å
65F87.3Confident78.2Confident0 Ų063 Ų630%034%0.336CS..Hα-helixtrans-61.6-44.8178175.6-121.1000111.5M41 E44 L45 F48 I61 L62 N63 F69 L70M41-F65 HydrophobicContact SD-CE1 3.7Å; M41-F65 HydrophobicContact SD-CZ 4.12Å; E44-F65 HydrophobicContact CB-CE2 4.2Å; E44-F65 HydrophobicContact CB-CZ 3.88Å; L45-F65 HydrophobicContact CB-CE1 4.08Å; L45-F65 HydrophobicContact CB-CZ 4.05Å; L45-F65 HydrophobicContact CD1-CB 4.11Å; L45-F65 HydrophobicContact CD1-CD1 3.58Å; L45-F65 HydrophobicContact CD1-CD2 4.25Å; L45-F65 HydrophobicContact CD1-CE1 3.95Å; L45-F65 HydrophobicContact CD1-CG 3.72Å; L45-F65 HydrophobicContact CD1-CZ 4.45Å; F48-F65 HydrophobicContact CB-CD2 3.55Å; F48-F65 HydrophobicContact CB-CE2 3.85Å; F48-F65 HydrophobicContact CD1-CB 3.77Å; F48-F65 AromaticContact CD1-CD2 3.77Å; F48-F65 HydrophobicContact CD1-CD2 3.77Å; F48-F65 HydrophobicContact CD1-CG 4.18Å; F48-F65 HydrophobicContact CD2-CD2 4.16Å; F48-F65 HydrophobicContact CE1-CB 3.81Å; F48-F65 HydrophobicContact CG-CB 4.38Å; F48-F65 AromaticContact CG-CD2 3.56Å; F48-F65 HydrophobicContact CG-CD2 3.56Å; F48-F65 HydrophobicContact CG-CE2 4.34Å; F48-F65 HydrophobicContact CG-CG 4.41Å; F48-F65 HydrophobicContact CZ-CB 4.46Å; I61-F65 WeakPolarHBondContact O-CB 3.42Å; I61-F65 PolarHBondContact O-N 2.6Å; L62-F65 PolarHBondContact O-N 3.25Å; N63-F65 VanDerWaalsContact C-N 3.32Å; N63-F65 PolarHBondContact O-N 3.46Å; F65-F69 HydrophobicContact CD2-CB 4.01Å; F65-F69 HydrophobicContact CD2-CD1 4.11Å; F65-F69 HydrophobicContact CD2-CG 4.31Å; F65-F69 HydrophobicContact CE2-CB 4.26Å; F65-F69 AromaticContact CE2-CD1 3.48Å; F65-F69 HydrophobicContact CE2-CD1 3.48Å; F65-F69 VanDerWaalsContact CE2-CD1 3.48Å; F65-F69 HydrophobicContact CE2-CE1 4.12Å; F65-F69 HydrophobicContact CE2-CG 4.11Å; F65-F69 HydrophobicContact CZ-CD1 4.26Å; F65-F69 VanDerWaalsContact O-CB 3.28Å; F65-F69 WeakPolarHBondContact O-CB 3.47Å; F65-F69 PolarHBondContact O-N 3.5Å; F65-F69 VanDerWaalsContact O-N 3.15Å; F65-L70 HydrophobicContact CD1-CD1 3.87Å; F65-L70 HydrophobicContact CD1-CG 4.21Å; F65-L70 HydrophobicContact CE1-CD1 3.57Å; F65-L70 HydrophobicContact CE1-CD2 4.13Å; F65-L70 HydrophobicContact CE1-CG 3.86Å; F65-L70 HydrophobicContact CE2-CD2 4.44Å; F65-L70 HydrophobicContact CE2-CG 4.37Å; F65-L70 HydrophobicContact CZ-CD1 4.15Å; F65-L70 HydrophobicContact CZ-CD2 3.85Å; F65-L70 HydrophobicContact CZ-CG 3.94Å; F65-L70 PolarHBondContact O-N 2.73Å; F65-L70 VanDerWaalsContact O-N 3.07Å
66E88Confident77.9Confident32 Ų3263.7 Ų63.715%0.1533%0.327CS..Iπ-helixtrans-61.6-52.8176.1-173.4-178.9-177.400111.8L30 Q33 Y34 L62 N63 L70 S71L30-E66 HydrophobicContact CD2-CB 4.13Å; L30-E66 VanDerWaalsContact CD2-CD 3.43Å; L30-E66 HydrophobicContact CD2-CG 3.7Å; Q33-E66 PolarHBondContact NE2-OE1 3.23Å; Y34-E66 HydrophobicContact CE2-CG 4.09Å; Y34-E66 WeakPolarHBondContact OH-CG 3.4Å; Y34-E66 PolarHBondContact OH-OE1 2.61Å; L62-E66 PolarHBondContact O-N 3.25Å; N63-E66 PolarHBondContact O-N 2.72Å; E66-L70 PolarHBondContact O-N 3.29Å; E66-S71 WeakPolarHBondContact O-CB 3.35Å; E66-S71 PolarHBondContact O-N 2.86Å
67H84.3Confident77.2Confident124 Ų12464.2 Ų64.257%0.57433%0.328SS*.Iπ-helixtrans-74.2-40.8-173.5-75.6-64000113.5N63 S64 S71N63-H67 PolarHBondContact O-CD2 3.29Å; N63-H67 VanDerWaalsContact O-CD2 3.23Å; N63-H67 PolarHBondContact O-N 3.01Å; S64-H67 PolarHBondContact O-N 3.42Å; H67-S71 PolarHBondContact O-OG 3.12Å
68E82.1Confident75.9Confident98 Ų9872.3 Ų72.346%0.45836%0.357SS..Iπ-helixtrans-87.8-26.3-172.3-63.1178.8-164.600113.1F48 S64 K72F48-E68 HydrophobicContact CE2-CB 4.38Å; S64-E68 WeakPolarHBondContact O-CB 3.37Å; S64-E68 WeakPolarHBondContact O-CG 3.48Å; S64-E68 PolarHBondContact O-N 3.44Å; E68-K72 VanDerWaalsContact O-CD 3.24Å; E68-K72 WeakPolarHBondContact O-CD 3.26Å; E68-K72 WeakPolarHBondContact O-CE 3.42Å; E68-K72 PolarHBondContact O-NZ 2.89Å; E68-K72 VanDerWaalsContact O-NZ 3.15Å
69F82.7Confident74.2Confident75 Ų7576.6 Ų76.633%0.32937%0.373SS..Iπ-helixtrans-117.2-61.3-172.9-168.6-97.1000112.6E44 F48 F65 S71 K72 R73E44-F69 HydrophobicContact CB-CE1 4.04Å; E44-F69 HydrophobicContact CG-CE1 4.17Å; E44-F69 WeakPolarHBondContact OE2-CE1 3.21Å; F48-F69 HydrophobicContact CD2-CB 4.08Å; F48-F69 HydrophobicContact CD2-CG 4.46Å; F48-F69 HydrophobicContact CE2-CB 4.4Å; F65-F69 HydrophobicContact CD2-CB 4.01Å; F65-F69 HydrophobicContact CD2-CD1 4.11Å; F65-F69 HydrophobicContact CD2-CG 4.31Å; F65-F69 HydrophobicContact CE2-CB 4.26Å; F65-F69 AromaticContact CE2-CD1 3.48Å; F65-F69 HydrophobicContact CE2-CD1 3.48Å; F65-F69 VanDerWaalsContact CE2-CD1 3.48Å; F65-F69 HydrophobicContact CE2-CE1 4.12Å; F65-F69 HydrophobicContact CE2-CG 4.11Å; F65-F69 HydrophobicContact CZ-CD1 4.26Å; F65-F69 VanDerWaalsContact O-CB 3.28Å; F65-F69 WeakPolarHBondContact O-CB 3.47Å; F65-F69 PolarHBondContact O-N 3.5Å; F65-F69 VanDerWaalsContact O-N 3.15Å; F69-S71 PolarHBondContact O-N 3.42Å; F69-K72 PolarHBondContact O-N 3.45Å; F69-R73 PolarHBondContact O-N 3.45Å
70L84.9Confident72.4Confident1 Ų177 Ų771%0.00538%0.375CS..Iπ-helixtrans-66.2-42.2-174.1-64.9177.8000112.6L30 Y34 M41 F65 E66 K72 R73 L74L30-L70 HydrophobicContact CB-CD1 4.42Å; L30-L70 HydrophobicContact CD1-CD1 4.27Å; L30-L70 HydrophobicContact CD2-CD1 4.28Å; Y34-L70 HydrophobicContact CD1-CB 3.78Å; Y34-L70 HydrophobicContact CD2-CB 4.33Å; Y34-L70 HydrophobicContact CD2-CD1 3.97Å; Y34-L70 VanDerWaalsContact CE1-C 3.44Å; Y34-L70 HydrophobicContact CE1-CB 3.48Å; Y34-L70 VanDerWaalsContact CE1-CB 3.48Å; Y34-L70 WeakPolarHBondContact CE1-O 3.25Å; Y34-L70 HydrophobicContact CE2-CB 4.09Å; Y34-L70 HydrophobicContact CE2-CD1 4.06Å; Y34-L70 HydrophobicContact CG-CB 4.22Å; Y34-L70 HydrophobicContact CG-CD1 4.34Å; M41-L70 HydrophobicContact CE-CD1 4.23Å; M41-L70 HydrophobicContact SD-CD1 3.97Å; M41-L70 HydrophobicContact SD-CD2 4.19Å; F65-L70 HydrophobicContact CD1-CD1 3.87Å; F65-L70 HydrophobicContact CD1-CG 4.21Å; F65-L70 HydrophobicContact CE1-CD1 3.57Å; F65-L70 HydrophobicContact CE1-CD2 4.13Å; F65-L70 HydrophobicContact CE1-CG 3.86Å; F65-L70 HydrophobicContact CE2-CD2 4.44Å; F65-L70 HydrophobicContact CE2-CG 4.37Å; F65-L70 HydrophobicContact CZ-CD1 4.15Å; F65-L70 HydrophobicContact CZ-CD2 3.85Å; F65-L70 HydrophobicContact CZ-CG 3.94Å; F65-L70 PolarHBondContact O-N 2.73Å; F65-L70 VanDerWaalsContact O-N 3.07Å; E66-L70 PolarHBondContact O-N 3.29Å; L70-K72 PolarHBondContact O-N 2.93Å; L70-R73 WeakPolarHBondContact O-CB 3.13Å; L70-R73 PolarHBondContact O-N 2.71Å; L70-R73 VanDerWaalsContact O-N 3.11Å; L70-L74 PolarHBondContact O-N 3.05Å
71S80.3Confident70.3Confident47 Ų4773.4 Ų73.433%0.32937%0.372SS..Hα-helixtrans-64.6-38-179.382.90000113.1E66 H67 F69 R73 L74 S75E66-S71 WeakPolarHBondContact O-CB 3.35Å; E66-S71 PolarHBondContact O-N 2.86Å; H67-S71 PolarHBondContact O-OG 3.12Å; F69-S71 PolarHBondContact O-N 3.42Å; S71-R73 VanDerWaalsContact C-N 3.27Å; S71-R73 PolarHBondContact O-N 2.96Å; S71-L74 PolarHBondContact O-N 2.98Å; S71-S75 PolarHBondContact O-N 3.36Å; S71-S75 VanDerWaalsContact O-N 3.16Å
72K76.7Confident68Low127 Ų12778.2 Ų78.255%0.55241%0.405SS*.Hα-helixtrans-69.8-26.4174.9-66.4-173.7-168.6150.70112.2E68 F69 L70 S75 K76E68-K72 VanDerWaalsContact O-CD 3.24Å; E68-K72 WeakPolarHBondContact O-CD 3.26Å; E68-K72 WeakPolarHBondContact O-CE 3.42Å; E68-K72 PolarHBondContact O-NZ 2.89Å; E68-K72 VanDerWaalsContact O-NZ 3.15Å; F69-K72 PolarHBondContact O-N 3.45Å; L70-K72 PolarHBondContact O-N 2.93Å; K72-S75 WeakPolarHBondContact CA-OG 3.4Å; K72-S75 PolarHBondContact O-OG 2.84Å; K72-K76 PolarHBondContact O-N 2.75Å; K72-K76 VanDerWaalsContact O-N 3.13Å
73R69.2Low65.7Low111 Ų11184.9 Ų84.942%0.41943%0.434SS..Hα-helixtrans-73.2-40.8171.3-103.8-170.169.4168-0.2111.8Q36 E44 F69 L70 S71 S75 K76 A77Q36-R73 VanDerWaalsContact NE2-CZ 3.3Å; Q36-R73 VanDerWaalsContact NE2-NH2 3.16Å; E44-R73 IonicContact OE1-CZ 3.45Å; E44-R73 IonicContact OE1-NH1 2.89Å; E44-R73 PolarHBondContact OE1-NH1 2.87Å; E44-R73 IonicContact OE1-NH2 3.12Å; E44-R73 IonicContact OE2-CZ 2.79Å; E44-R73 IonicContact OE2-NH1 2.76Å; E44-R73 PolarHBondContact OE2-NH1 3.28Å; F69-R73 PolarHBondContact O-N 3.45Å; L70-R73 WeakPolarHBondContact O-CB 3.13Å; L70-R73 PolarHBondContact O-N 2.71Å; L70-R73 VanDerWaalsContact O-N 3.11Å; S71-R73 VanDerWaalsContact C-N 3.27Å; S71-R73 PolarHBondContact O-N 2.96Å; R73-S75 VanDerWaalsContact C-N 3.25Å; R73-S75 PolarHBondContact O-N 2.86Å; R73-K76 CarbonylContact O-C 3.59Å; R73-K76 PolarHBondContact O-N 2.86Å; R73-A77 WeakPolarHBondContact O-CB 3.47Å; R73-A77 PolarHBondContact O-N 3.05Å
74L61.4Low63.1Low60 Ų6089.3 Ų89.331%0.31446%0.458SS..Hα-helixtrans-62.5-36.2177.2-131.6167000110.9Y34 L70 S71 R78Y34-L74 HydrophobicContact CD1-CB 4.4Å; Y34-L74 HydrophobicContact CD1-CD1 3.58Å; Y34-L74 HydrophobicContact CD1-CG 4.15Å; Y34-L74 HydrophobicContact CE1-CB 4.15Å; Y34-L74 HydrophobicContact CE1-CD1 3.43Å; Y34-L74 VanDerWaalsContact CE1-CD1 3.43Å; Y34-L74 HydrophobicContact CE1-CG 4.19Å; Y34-L74 HydrophobicContact CG-CD1 4.49Å; L70-L74 PolarHBondContact O-N 3.05Å; S71-L74 PolarHBondContact O-N 2.98Å; L74-R78 HydrophobicContact CD2-CG 4.37Å; L74-R78 WeakPolarHBondContact O-CB 3.32Å; L74-R78 WeakPolarHBondContact O-CG 3.35Å; L74-R78 PolarHBondContact O-N 3.4Å
75S58.8Low60.6Low62 Ų6293.2 Ų93.243%0.43449%0.485SS..Hα-helixtrans-68.2-44.217265.10000112.9S71 K72 R73 H79S71-S75 PolarHBondContact O-N 3.36Å; S71-S75 VanDerWaalsContact O-N 3.16Å; K72-S75 WeakPolarHBondContact CA-OG 3.4Å; K72-S75 PolarHBondContact O-OG 2.84Å; R73-S75 VanDerWaalsContact C-N 3.25Å; R73-S75 PolarHBondContact O-N 2.86Å; S75-H79 PolarHBondContact O-CD2 3.04Å; S75-H79 PolarHBondContact O-N 3.25Å
76K56.4Low58.2Low161 Ų16196.7 Ų96.770%0.752%0.521SS*.Hα-helixtrans-66.5-36.4174.3-86-176.9174.9179.60113.9K72 R73 H79 S80K72-K76 PolarHBondContact O-N 2.75Å; K72-K76 VanDerWaalsContact O-N 3.13Å; R73-K76 CarbonylContact O-C 3.59Å; R73-K76 PolarHBondContact O-N 2.86Å; K76-H79 CarbonylContact O-C 3.55Å; K76-H79 WeakPolarHBondContact O-CB 3.21Å; K76-H79 PolarHBondContact O-N 3.35Å; K76-S80 PolarHBondContact O-N 2.86Å
77A54.5Low55.5Low45 Ų45102.6 Ų102.637%0.37255%0.549SS..Hα-helixtrans-71.4-33.9179.200000111.6R73 H79 S80 A81R73-A77 WeakPolarHBondContact O-CB 3.47Å; R73-A77 PolarHBondContact O-N 3.05Å; A77-H79 VanDerWaalsContact C-N 3.3Å; A77-S80 WeakPolarHBondContact CA-OG 3.49Å; A77-S80 PolarHBondContact O-N 2.85Å; A77-S80 PolarHBondContact O-OG 2.68Å; A77-S80 VanDerWaalsContact O-OG 3.13Å; A77-A81 VanDerWaalsContact O-CB 3.26Å; A77-A81 WeakPolarHBondContact O-CB 3.2Å; A77-A81 PolarHBondContact O-N 2.98Å
78R47.4Very low53Low193 Ų19399.8 Ų99.873%0.72855%0.547SS*.Hα-helixtrans-65.1-33.5168.3-77.4179.4175.2-172.2-0.7112.3L74L74-R78 HydrophobicContact CD2-CG 4.37Å; L74-R78 WeakPolarHBondContact O-CB 3.32Å; L74-R78 WeakPolarHBondContact O-CG 3.35Å; L74-R78 PolarHBondContact O-N 3.4Å
79H45.4Very low50.9Low153 Ų15398.1 Ų98.171%0.70856%0.556SS**Hα-helixtrans-74.6-24.7172.3-74.6-61.9000113.9S75 K76 A77S75-H79 PolarHBondContact O-CD2 3.04Å; S75-H79 PolarHBondContact O-N 3.25Å; K76-H79 CarbonylContact O-C 3.55Å; K76-H79 WeakPolarHBondContact O-CB 3.21Å; K76-H79 PolarHBondContact O-N 3.35Å; A77-H79 VanDerWaalsContact C-N 3.3Å
80S41Very low48.9Very low70 Ų70100 Ų10049%0.4959%0.586SS.*Hα-helixtrans-91.2-29.9176.567.60000114K76 A77 C82 K83K76-S80 PolarHBondContact O-N 2.86Å; A77-S80 WeakPolarHBondContact CA-OG 3.49Å; A77-S80 PolarHBondContact O-N 2.85Å; A77-S80 PolarHBondContact O-OG 2.68Å; A77-S80 VanDerWaalsContact O-OG 3.13Å; S80-C82 PolarHBondContact O-N 2.96Å; S80-K83 WeakPolarHBondContact O-CA 3.45Å; S80-K83 VanDerWaalsContact O-CB 3.28Å; S80-K83 WeakPolarHBondContact O-CB 3.18Å; S80-K83 PolarHBondContact O-N 3.32Å
81A37.9Very low46.7Very low77 Ų77107.1 Ų107.164%0.63661%0.612SS**Hα-helixtrans-70.6-19175.300000112.9A77 K83A77-A81 VanDerWaalsContact O-CB 3.26Å; A77-A81 WeakPolarHBondContact O-CB 3.2Å; A77-A81 PolarHBondContact O-N 2.98Å; A81-K83 PolarHBondContact O-N 3.44Å
82C35.2Very low44.8Very low115 Ų115110.4 Ų110.478%0.77763%0.626SS**THydrogen-bonded Turntrans-76.5-1.6167.6-159.10000112.7S80S80-C82 PolarHBondContact O-N 2.96Å
83K36.1Very low43.3Very low140 Ų140111.1 Ų111.161%0.60964%0.635SS**THydrogen-bonded Turntrans-109.64.8-176.3-108.2-178.6179-177.40115.2S80 A81 S85S80-K83 WeakPolarHBondContact O-CA 3.45Å; S80-K83 VanDerWaalsContact O-CB 3.28Å; S80-K83 WeakPolarHBondContact O-CB 3.18Å; S80-K83 PolarHBondContact O-N 3.32Å; A81-K83 PolarHBondContact O-N 3.44Å; K83-S85 PolarHBondContact O-N 2.85Å
84D29.7Very low42.2Very low155 Ų155110.3 Ų110.383%0.82964%0.642SS**  trans-98.664.6171.6-83-24.7000111.4
85S33Very low41.5Very low111 Ų111109.8 Ų109.878%0.77664%0.643SS**SBendtrans-144.598.813654.40000107.7K83K83-S85 PolarHBondContact O-N 2.85Å
86G37.5Very low41Very low74 Ų74111 Ų11176%0.76364%0.644SS**SBendtrans65.559.4165.200000117.2
87H31.2Very low40.5Very low155 Ų155108.4 Ų108.472%0.71863%0.634SS**  trans-124.1106.2153.1-92.563.7000109.6G89H87-G89 PolarHBondContact O-N 2.71Å
88A31.8Very low39.9Very low65 Ų65111.9 Ų111.954%0.53764%0.643SS.*  trans-58.7119.6170.200000109.2R91A88-R91 HydrophobicContact CB-CG 4.29Å
89G37.9Very low39.7Very low64 Ų64107 Ų10766%0.6663%0.63SS**  trans-55.3152.4162.500000110.5H87 R91H87-G89 PolarHBondContact O-N 2.71Å; G89-R91 PolarHBondContact O-N 2.78Å
90A41.5Very low40Very low114 Ų114103.2 Ų103.294%0.94262%0.615SS**  trans-30.995.8-170.400000114
91R38.5Very low40.6Very low151 Ų151104.7 Ų104.757%0.5761%0.614SS**  trans-85.9142165.9-68.8-175.5178.9171.80.3108A88 G89A88-R91 HydrophobicContact CB-CG 4.29Å; G89-R91 PolarHBondContact O-N 2.78Å
92D40.3Very low41.2Very low116 Ų116104.6 Ų104.662%0.6261%0.605SS**  trans-52.6139.4174.3-164.5-1.7000110.1V94 S95D92-V94 PolarHBondContact O-N 3.32Å; D92-S95 PolarHBondContact O-N 2.82Å
93I43.7Very low41.7Very low142 Ų142105.6 Ų105.673%0.72860%0.599SS**Hα-helixtrans-59-24.1-170.5-67169.2000111.2
94V46Very low42.4Very low93 Ų93104.6 Ų104.656%0.56460%0.596SS**Hα-helixtrans-68.3-36.8177-175.40000112.3D92 I96 Q97 E98D92-V94 PolarHBondContact O-N 3.32Å; V94-I96 VanDerWaalsContact C-N 3.33Å; V94-I96 PolarHBondContact O-N 3.32Å; V94-Q97 PolarHBondContact O-N 2.65Å; V94-E98 PolarHBondContact O-N 3.28Å
95S47.3Very low43.3Very low49 Ų49103.3 Ų103.334%0.34359%0.585SS.*Hα-helixtrans-77.5-15.6-178.2-63.30000114D92 L99D92-S95 PolarHBondContact O-N 2.82Å; S95-L99 WeakPolarHBondContact O-CD1 3.41Å; S95-L99 WeakPolarHBondContact O-CG 3.43Å; S95-L99 PolarHBondContact O-N 3.42Å
96I47.8Very low43.8Very low89 Ų89103.9 Ų103.946%0.45658%0.575SS.*Hα-helixtrans-79.7-35173.9-63.7174.2000110.1V94 L99 I100V94-I96 VanDerWaalsContact C-N 3.33Å; V94-I96 PolarHBondContact O-N 3.32Å; I96-L99 PolarHBondContact O-N 2.98Å; I96-I100 HydrophobicContact CG2-CD1 3.99Å; I96-I100 WeakPolarHBondContact O-CG1 3.33Å; I96-I100 PolarHBondContact O-N 2.62Å
97Q45.8Very low44.3Very low105 Ų105106.9 Ų106.949%0.49157%0.57SS.*Hα-helixtrans-67.9-40.1176.2-164.264.343.300111.6V94 L99 I100 E101V94-Q97 PolarHBondContact O-N 2.65Å; Q97-L99 VanDerWaalsContact C-N 3.33Å; Q97-L99 PolarHBondContact O-N 2.91Å; Q97-I100 PolarHBondContact O-N 2.92Å; Q97-E101 WeakPolarHBondContact O-CG 3.3Å; Q97-E101 PolarHBondContact O-N 2.92Å
98E43.5Very low45.2Very low119 Ų119105 Ų10556%0.55656%0.564SS**Hα-helixtrans-63-35.9173.7-81.4179.6154.100112.6V94 V102V94-E98 PolarHBondContact O-N 3.28Å; E98-V102 WeakPolarHBondContact O-CB 3.35Å; E98-V102 WeakPolarHBondContact O-CG2 3.36Å; E98-V102 PolarHBondContact O-N 3.07Å
99L43.3Very low45.8Very low89 Ų89106.6 Ų106.647%0.46656%0.563SS.*Hα-helixtrans-71.6-34.8178.6-75.2165.8000112.7S95 I96 Q97 V102 E103S95-L99 WeakPolarHBondContact O-CD1 3.41Å; S95-L99 WeakPolarHBondContact O-CG 3.43Å; S95-L99 PolarHBondContact O-N 3.42Å; I96-L99 PolarHBondContact O-N 2.98Å; Q97-L99 VanDerWaalsContact C-N 3.33Å; Q97-L99 PolarHBondContact O-N 2.91Å; L99-V102 PolarHBondContact O-N 3.29Å; L99-E103 PolarHBondContact O-N 3.29Å
100I51.6Low46.1Very low74 Ų74109.8 Ų109.838%0.37956%0.564SS.*Hα-helixtrans-71.7-40.3176.1-66.4165.8000110.6I96 Q97 V102 E103 E104I96-I100 HydrophobicContact CG2-CD1 3.99Å; I96-I100 WeakPolarHBondContact O-CG1 3.33Å; I96-I100 PolarHBondContact O-N 2.62Å; Q97-I100 PolarHBondContact O-N 2.92Å; I100-V102 VanDerWaalsContact C-N 3.32Å; I100-E103 PolarHBondContact O-N 2.88Å; I100-E104 PolarHBondContact O-N 3.13Å
101E53.8Low46.4Very low102 Ų102110 Ų11048%0.47755%0.549SS..Hα-helixtrans-66-35.8174.5-74.6175-173.200111.6Q97 E105Q97-E101 WeakPolarHBondContact O-CG 3.3Å; Q97-E101 PolarHBondContact O-N 2.92Å; E101-E105 WeakPolarHBondContact O-CB 3.38Å; E101-E105 WeakPolarHBondContact O-CG 3.32Å; E101-E105 PolarHBondContact O-N 3.32Å
102V48.8Very low46.5Very low75 Ų75106.7 Ų106.746%0.45555%0.549SS..Hα-helixtrans-69.8-38.6174.7170.20000112.1E98 L99 I100 E105 E106E98-V102 WeakPolarHBondContact O-CB 3.35Å; E98-V102 WeakPolarHBondContact O-CG2 3.36Å; E98-V102 PolarHBondContact O-N 3.07Å; L99-V102 PolarHBondContact O-N 3.29Å; I100-V102 VanDerWaalsContact C-N 3.32Å; V102-E105 PolarHBondContact O-N 3.5Å; V102-E106 PolarHBondContact O-N 3.05Å
103E46.4Very low46.6Very low136 Ų136110.3 Ų110.364%0.63656%0.556SS**Hα-helixtrans-66.4-40.9173.4-91.3-178.5151.900112.2L99 I100 E106 E107L99-E103 PolarHBondContact O-N 3.29Å; I100-E103 PolarHBondContact O-N 2.88Å; E103-E106 PolarHBondContact O-N 3.31Å; E103-E107 PolarHBondContact O-N 2.8Å
104E51.8Low46.6Very low119 Ų119108.7 Ų108.756%0.55655%0.553SS**Hα-helixtrans-66.1-39.2174.2-78.8-173.816100111.7I100 E107 I108I100-E104 PolarHBondContact O-N 3.13Å; E104-E107 PolarHBondContact O-N 2.9Å; E104-I108 WeakPolarHBondContact O-CB 3.27Å; E104-I108 WeakPolarHBondContact O-CD1 3.38Å; E104-I108 WeakPolarHBondContact O-CG1 3.4Å; E104-I108 PolarHBondContact O-N 2.84Å
105E48.6Very low46.2Very low128 Ų128110.7 Ų110.760%0.59857%0.565SS**Hα-helixtrans-66.3-37174.4-79-171.1167.700112.4E101 V102 I108 L109E101-E105 WeakPolarHBondContact O-CB 3.38Å; E101-E105 WeakPolarHBondContact O-CG 3.32Å; E101-E105 PolarHBondContact O-N 3.32Å; V102-E105 PolarHBondContact O-N 3.5Å; E105-I108 PolarHBondContact O-N 2.88Å; E105-L109 WeakPolarHBondContact O-CB 3.13Å; E105-L109 PolarHBondContact O-N 2.78Å
106E43.5Very low45.7Very low122 Ų122114.1 Ų114.157%0.5759%0.586SS**Hα-helixtrans-67-41.2174.2-81.8-168.715900112.4V102 E103 I108 L109 L110V102-E106 PolarHBondContact O-N 3.05Å; E103-E106 PolarHBondContact O-N 3.31Å; E106-I108 VanDerWaalsContact C-N 3.33Å; E106-I108 PolarHBondContact O-N 2.84Å; E106-L109 PolarHBondContact O-N 2.95Å; E106-L110 WeakPolarHBondContact O-CB 3.2Å; E106-L110 WeakPolarHBondContact O-CD1 3.21Å; E106-L110 PolarHBondContact O-N 3.41Å
107E46.8Very low45Very low138 Ų138115.8 Ų115.865%0.64561%0.606SS**Hα-helixtrans-65-35.2174.3-80.3-158.6152.600112.6E103 E104 N111E103-E107 PolarHBondContact O-N 2.8Å; E104-E107 PolarHBondContact O-N 2.9Å; E107-N111 PolarHBondContact O-N 3.19Å; E107-N111 PolarHBondContact O-ND2 3.25Å
108I49.8Very low44.5Very low115 Ų115120.9 Ų120.959%0.5963%0.626SS**Hα-helixtrans-71.9-37.7175.7-67.1165.2000111.1E104 E105 E106 N111 S112E104-I108 WeakPolarHBondContact O-CB 3.27Å; E104-I108 WeakPolarHBondContact O-CD1 3.38Å; E104-I108 WeakPolarHBondContact O-CG1 3.4Å; E104-I108 PolarHBondContact O-N 2.84Å; E105-I108 PolarHBondContact O-N 2.88Å; E106-I108 VanDerWaalsContact C-N 3.33Å; E106-I108 PolarHBondContact O-N 2.84Å; I108-N111 PolarHBondContact O-N 2.91Å; I108-S112 PolarHBondContact O-N 3.44Å; I108-S112 PolarHBondContact O-OG 3.26Å
109L44.8Very low43.8Very low98 Ų98118.9 Ų118.951%0.51364%0.638SS.*Hα-helixtrans-68-38.4174.7-90.7156.6000112.5E105 E106 N111 S112 Y113E105-L109 WeakPolarHBondContact O-CB 3.13Å; E105-L109 PolarHBondContact O-N 2.78Å; E106-L109 PolarHBondContact O-N 2.95Å; L109-N111 VanDerWaalsContact C-N 3.29Å; L109-N111 PolarHBondContact O-N 3.46Å; L109-S112 WeakPolarHBondContact CA-OG 3.48Å; L109-S112 PolarHBondContact O-N 2.99Å; L109-S112 PolarHBondContact O-OG 3.27Å; L109-Y113 VanDerWaalsContact O-CD2 3.28Å; L109-Y113 WeakPolarHBondContact O-CD2 3.44Å
110L44.4Very low43.1Very low131 Ų131120.8 Ų120.869%0.68666%0.658SS**Hα-helixtrans-63.8-33.7175-89.5147.2000112.6E106 S112E106-L110 WeakPolarHBondContact O-CB 3.2Å; E106-L110 WeakPolarHBondContact O-CD1 3.21Å; E106-L110 PolarHBondContact O-N 3.41Å; L110-S112 VanDerWaalsContact C-N 3.34Å; L110-S112 PolarHBondContact O-N 2.84Å
111N46.9Very low42.3Very low118 Ų118126.2 Ų126.263%0.63168%0.682SS**Hα-helixtrans-73.9-20.5177.2-79.2-40.4000114.1E107 I108 L109 T114E107-N111 PolarHBondContact O-N 3.19Å; E107-N111 PolarHBondContact O-ND2 3.25Å; I108-N111 PolarHBondContact O-N 2.91Å; L109-N111 VanDerWaalsContact C-N 3.29Å; L109-N111 PolarHBondContact O-N 3.46Å; N111-T114 PolarHBondContact O-OG1 3.11Å
112S41.8Very low41.3Very low83 Ų83131 Ų13158%0.5870%0.701SS**THydrogen-bonded Turntrans-86.8-5-177.741.20000114.9I108 L109 L110I108-S112 PolarHBondContact O-N 3.44Å; I108-S112 PolarHBondContact O-OG 3.26Å; L109-S112 WeakPolarHBondContact CA-OG 3.48Å; L109-S112 PolarHBondContact O-N 2.99Å; L109-S112 PolarHBondContact O-OG 3.27Å; L110-S112 VanDerWaalsContact C-N 3.34Å; L110-S112 PolarHBondContact O-N 2.84Å
113Y41.5Very low40.3Very low192 Ų192138.6 Ų138.675%0.75372%0.722SS**THydrogen-bonded Turntrans-93.51.7173.6-75.7-79.9000114.8L109L109-Y113 VanDerWaalsContact O-CD2 3.28Å; L109-Y113 WeakPolarHBondContact O-CD2 3.44Å
114T45.1Very low39.4Very low108 Ų108138.8 Ų138.866%0.66373%0.733SS**PPolyproline II helixtrans-84.8116.5173.557.80000110.5N111N111-T114 PolarHBondContact O-OG1 3.11Å
115T36Very low38.5Very low135 Ų135140.4 Ų140.483%0.82874%0.743SS**PPolyproline II helixtrans-83.1127179.137.50000110.8
116P37.7Very low37.6Very low120 Ų120139.5 Ų139.578%0.77975%0.751SS**PPolyproline II helixtrans-86.6126.817730.3-28.2000111.2
117S34.1Very low37Very low124 Ų124139.6 Ų139.687%0.86776%0.76SS**PPolyproline II helixtrans-72.6137.7167.753.40000110.6
118K34Very low36.5Very low213 Ų213138.5 Ų138.593%0.92677%0.765SS**PPolyproline II helixtrans-75.2134.7-163.5-69.8179.7172.9178.20114.2
119G29.9Very low35.8Very low77 Ų77142.3 Ų142.379%0.79478%0.78SS**  120.892.7121.600000118.7
120S28.6Very low35.2Very low128 Ų128143.4 Ų143.490%0.89579%0.792SS**  170.8120.7106.2-1680000110.4
121Q34.1Very low34.7Very low189 Ų189142.6 Ų142.688%0.88379%0.794SS**  trans-86.5129.1-176.1-69.2-177.9-21.900112.2
122K32.4Very low33.9Very low203 Ų203145.2 Ų145.288%0.88381%0.807SS**  -171.2126.6126.5-113.7174.6179.1174.70113.6
123R28.8Very low33.3Very low233 Ų233147.8 Ų147.888%0.87982%0.819SS**  trans73.593.8166.2-72.4-175.5-176.6171.81.4118.1I125R123-I125 PolarHBondContact O-N 3.14Å
124T27.6Very low33.1Very low141 Ų141148.5 Ų148.587%0.86583%0.826SS**  trans-61.8112.6157.7-3.90000109.9
125I31.4Very low32.9Very low152 Ų152154.7 Ų154.778%0.77984%0.838SS**  trans-83.4101.4160-67.7169.3000105.2R123R123-I125 PolarHBondContact O-N 3.14Å
126S30.7Very low32.6Very low110 Ų110153.8 Ų153.877%0.76984%0.837SS**  trans-98.9101.2165.657.90000107.9
127T31.6Very low32.3Very low123 Ų123153.8 Ų153.876%0.75583%0.834SS**PPolyproline II helixtrans-76.1151.8158.727.80000110.2
128P36.5Very low32.6Very low115 Ų115153.2 Ų153.275%0.74783%0.831SS**PPolyproline II helixtrans-95.3132.7-148.334.6-29.9000112.6
129E34.8Very low32.6Very low195 Ų195148.7 Ų148.791%0.91182%0.821SS**PPolyproline II helixtrans-78.7130.9155.8-68.2-167.6155.800108.8
130T31.2Very low33Very low122 Ų122157.5 Ų157.575%0.74883%0.83SS**PPolyproline II helixtrans-59.2145.3-176.425.80000113L132T130-L132 PolarHBondContact O-N 2.94Å
131P33.2Very low33.3Very low114 Ų114155 Ų15574%0.7481%0.813SS**PPolyproline II helixtrans-72.6121.6-175.329.2-32.8000111.1T133P131-T133 PolarHBondContact O-N 3.48Å; P131-T133 VanDerWaalsContact O-N 3.08Å
132L31.3Very low33.6Very low172 Ų172152.2 Ų152.290%0.90181%0.811SS**  trans-63.1107.7158.3-72.9167.9000107.8T130 K134T130-L132 PolarHBondContact O-N 2.94Å; L132-K134 PolarHBondContact O-N 2.95Å
133T29.2Very low33.9Very low137 Ų137149.7 Ų149.784%0.8480%0.802SS**  trans-57.9108.417230000109.5P131 R135P131-T133 PolarHBondContact O-N 3.48Å; P131-T133 VanDerWaalsContact O-N 3.08Å; T133-R135 VanDerWaalsContact C-N 3.34Å; T133-R135 PolarHBondContact O-N 3.44Å
134K38.1Very low34.7Very low207 Ų207147.9 Ų147.990%0.980%0.803SS**  trans-63.691.6164.6-73.7-177.3176.3-1790109.7L132L132-K134 PolarHBondContact O-N 2.95Å
135R40.7Very low35.3Very low238 Ų238148.6 Ų148.690%0.89880%0.801SS**  trans-167.484.9147.5-112.3-178.7-167.8178.44.4109.6T133T133-R135 VanDerWaalsContact C-N 3.34Å; T133-R135 PolarHBondContact O-N 3.44Å
136S29.1Very low35.6Very low116 Ų116148.2 Ų148.281%0.81180%0.8SS**  trans-127.7109.9152175.30000105.9S138S136-S138 PolarHBondContact O-N 3.04Å
137V31.6Very low36.3Very low120 Ų120144.9 Ų144.973%0.72778%0.776SS**  trans-72.7115.2170.3-179.70000105.4T139V137-T139 HydrophobicContact CG1-CG2 4.37Å; V137-T139 PolarHBondContact O-N 2.74Å
138S39.8Very low37.3Very low113 Ų113144.1 Ų144.179%0.7977%0.774SS**  trans-62.8103.5172.452.90000110.2S136S136-S138 PolarHBondContact O-N 3.04Å
139T33.6Very low37.8Very low118 Ų118142.9 Ų142.972%0.72477%0.768SS**  trans-129.491.516053.50000108.8V137V137-T139 HydrophobicContact CG1-CG2 4.37Å; V137-T139 PolarHBondContact O-N 2.74Å
140R39.8Very low38.5Very low262 Ų262136.8 Ų136.899%0.98975%0.747SS**  trans-94.788.7164.7-75.5-172.6177.8-175.5-0.4108.5
141S34.4Very low39.5Very low76 Ų76137.5 Ų137.553%0.53174%0.74SS.*  trans-112.4152154.763.10000107.8H143S141-H143 PolarHBondContact O-N 2.84Å
142P40Very low40.8Very low129 Ų129135.5 Ų135.584%0.83873%0.728SS**SBendtrans-75.517.6-172.831.6-34.7000114.1
143H39.2Very low42.3Very low150 Ų150133.2 Ų133.269%0.69472%0.724SS**  trans-120.890.5170.6-66.5-56.1000108S141 L145S141-H143 PolarHBondContact O-N 2.84Å; H143-L145 VanDerWaalsContact C-N 3.32Å; H143-L145 PolarHBondContact O-N 2.94Å
144Q44.7Very low44Very low195 Ų195129.5 Ų129.591%0.91170%0.704SS**  trans-60.5101.9161.2-87.6-177.7-17.900107.3L146Q144-L146 PolarHBondContact O-N 2.85Å; Q144-L146 VanDerWaalsContact O-N 3.16Å
145L40.3Very low45.6Very low156 Ų156124.4 Ų124.482%0.81770%0.7SS**  trans-63.8115.1166.4-74.1167.7000106.7H143 S147H143-L145 VanDerWaalsContact C-N 3.32Å; H143-L145 PolarHBondContact O-N 2.94Å; L145-S147 VanDerWaalsContact C-N 3.32Å; L145-S147 PolarHBondContact O-N 2.94Å
146L37.8Very low47.4Very low145 Ų145117.1 Ų117.176%0.75968%0.682SS**  trans-46.396.6166.7-65.5166000108.7Q144 F151Q144-L146 PolarHBondContact O-N 2.85Å; Q144-L146 VanDerWaalsContact O-N 3.16Å; L146-F151 HydrophobicContact CB-CE2 4.19Å; L146-F151 HydrophobicContact CD2-CE2 3.78Å; L146-F151 HydrophobicContact CD2-CZ 3.72Å
147S46.2Very low49.8Very low39 Ų39114 Ų11427%0.27366%0.659SS.*  trans-88.2141.6176.7790000108.5L145 S149 S150L145-S147 VanDerWaalsContact C-N 3.32Å; L145-S147 PolarHBondContact O-N 2.94Å; S147-S149 WeakPolarHBondContact CB-OG 3.38Å; S147-S149 PolarHBondContact O-N 3.06Å; S147-S149 VanDerWaalsContact O-N 3.07Å; S147-S149 PolarHBondContact OG-OG 3.23Å; S147-S150 VanDerWaalsContact O-CB 3.29Å; S147-S150 WeakPolarHBondContact O-CB 3.07Å; S147-S150 PolarHBondContact O-N 3.07Å; S147-S150 PolarHBondContact O-OG 3.09Å; S147-S150 PolarHBondContact OG-N 3.49Å; S147-S150 PolarHBondContact OG-OG 3.11Å
148P51.5Low52.4Low107 Ų107108.3 Ų108.370%0.69562%0.624SS**G310 helixtrans-56.4-26.1176.5-24.833.3000113.4S150 F151 S152P148-S150 VanDerWaalsContact C-N 3.29Å; P148-S150 PolarHBondContact O-N 3.24Å; P148-F151 PolarHBondContact O-N 3.41Å; P148-S152 PolarHBondContact O-N 2.91Å; P148-S152 PolarHBondContact O-OG 3.27Å
149S47.3Very low54.8Low90 Ų90108.7 Ų108.763%0.62961%0.614SS**G310 helixtrans-65.2-26.4173.526.30000113.9S147 F151S147-S149 WeakPolarHBondContact CB-OG 3.38Å; S147-S149 PolarHBondContact O-N 3.06Å; S147-S149 VanDerWaalsContact O-N 3.07Å; S147-S149 PolarHBondContact OG-OG 3.23Å; S149-F151 PolarHBondContact O-N 3.09Å
150S49.3Very low57.6Low66 Ų66108.5 Ų108.546%0.46260%0.603SS.*G310 helixtrans-73.7-14.5175.8-48.40000112.9S147 P148S147-S150 VanDerWaalsContact O-CB 3.29Å; S147-S150 WeakPolarHBondContact O-CB 3.07Å; S147-S150 PolarHBondContact O-N 3.07Å; S147-S150 PolarHBondContact O-OG 3.09Å; S147-S150 PolarHBondContact OG-N 3.49Å; S147-S150 PolarHBondContact OG-OG 3.11Å; P148-S150 VanDerWaalsContact C-N 3.29Å; P148-S150 PolarHBondContact O-N 3.24Å
151F53.4Low60.2Low137 Ų13796 Ų9660%0.60156%0.556SS**SBendtrans-115.70.1-179.7-65.1-75.2000113.3L146 P148 S149L146-F151 HydrophobicContact CB-CE2 4.19Å; L146-F151 HydrophobicContact CD2-CE2 3.78Å; L146-F151 HydrophobicContact CD2-CZ 3.72Å; P148-F151 PolarHBondContact O-N 3.41Å; S149-F151 PolarHBondContact O-N 3.09Å
152S58.5Low63Low72 Ų7296.5 Ų96.550%0.50355%0.552SS.*SBendtrans-82.8135.3-179.4-64.30000109.6P148P148-S152 PolarHBondContact O-N 2.91Å; P148-S152 PolarHBondContact O-OG 3.27Å
153P63.7Low65.6Low124 Ų12494.6 Ų94.681%0.80554%0.542SS*.PPolyproline II helixtrans-52.1141.8174.8-24.332.4000111.3A155P153-A155 PolarHBondContact O-N 3.25Å
154S65.8Low68.2Low60 Ų6089.2 Ų89.242%0.4252%0.516SS..PPolyproline II helixtrans-47.8132.8173.8-67.20000109.9T156 P157S154-T156 VanDerWaalsContact C-N 3.3Å; S154-T156 PolarHBondContact O-N 2.94Å; S154-P157 VanDerWaalsContact O-CD 3.32Å; S154-P157 WeakPolarHBondContact O-CD 3.35Å
155A70.3Confident70.6Confident100 Ų10085.8 Ų85.883%0.82651%0.514SS*.SBendtrans-72.3-24.5-176.700000113.1P153P153-A155 PolarHBondContact O-N 3.25Å
156T78.9Confident73.2Confident85 Ų8580.5 Ų80.552%0.52149%0.486SS..SBendtrans-144.756.1-17847.20000112.5S154 S158S154-T156 VanDerWaalsContact C-N 3.3Å; S154-T156 PolarHBondContact O-N 2.94Å; T156-S158 PolarHBondContact O-N 2.92Å
157P79.4Confident75.9Confident50 Ų5079.6 Ų79.633%0.32547%0.472SS..THydrogen-bonded Turntrans-62.1133.2-177.426.1-28.9000110.3S154 Q159 S354 T356S154-P157 VanDerWaalsContact O-CD 3.32Å; S154-P157 WeakPolarHBondContact O-CD 3.35Å; P157-Q159 PolarHBondContact O-N 3.35Å; P157-Q159 VanDerWaalsContact O-N 3.1Å; P157-S354 VanDerWaalsContact CB-OG 3.31Å; P157-S354 WeakPolarHBondContact CB-OG 3.44Å; P157-T356 HydrophobicContact CB-CG2 4.29Å
158S85.6Confident78.1Confident0 Ų079.9 Ų79.90%048%0.482CS..THydrogen-bonded Turntrans60.219.1173.5-38.50000116T156 K160 Y161 N162 T351 S354 T356 D358T156-S158 PolarHBondContact O-N 2.92Å; S158-K160 VanDerWaalsContact C-N 3.33Å; S158-K160 PolarHBondContact O-N 3.37Å; S158-Y161 WeakPolarHBondContact O-CB 3.03Å; S158-Y161 PolarHBondContact O-N 3.02Å; S158-Y161 VanDerWaalsContact O-N 3.09Å; S158-N162 PolarHBondContact O-N 3.12Å; S158-N162 PolarHBondContact O-ND2 3.07Å; S158-T351 PolarHBondContact OG-OG1 2.84Å; S158-S354 WeakPolarHBondContact OG-CB 3.43Å; S158-S354 PolarHBondContact OG-OG 2.76Å; S158-T356 PolarHBondContact OG-OG1 3.04Å; S158-D358 WeakPolarHBondContact CB-OD2 3.35Å; S158-D358 PolarHBondContact OG-OD2 2.92Å
159Q90.2Very high80.2Confident121 Ų12179.3 Ų79.357%0.56547%0.47SS*.Hα-helixtrans-58.4-42-172.5-174.4-178.25.100112.8P157 S163P157-Q159 PolarHBondContact O-N 3.35Å; P157-Q159 VanDerWaalsContact O-N 3.1Å; Q159-S163 WeakPolarHBondContact O-CB 3.39Å; Q159-S163 PolarHBondContact O-N 3.06Å; Q159-S163 PolarHBondContact O-OG 3.36Å
160K92.3Very high82.5Confident114 Ų11478.1 Ų78.150%0.49646%0.459SS..Hα-helixtrans-67.5-37.1177.8-73.5-177-176.3167.30112.5S158 S163 Q566S158-K160 VanDerWaalsContact C-N 3.33Å; S158-K160 PolarHBondContact O-N 3.37Å; K160-S163 PolarHBondContact O-OG 2.96Å; K160-Q566 HydrophobicContact CB-CB 4.43Å; K160-Q566 WeakPolarHBondContact CB-O 3.32Å; K160-Q566 HydrophobicContact CD-CB 4.09Å
161Y95.6Very high84.7Confident0 Ų076.4 Ų76.40%045%0.445CS..Hα-helixtrans-66.2-47.8177.1175.7-96.9000111.7S158 S163 R164 T351 D358 P359 D362 Q566 I598S158-Y161 WeakPolarHBondContact O-CB 3.03Å; S158-Y161 PolarHBondContact O-N 3.02Å; S158-Y161 VanDerWaalsContact O-N 3.09Å; Y161-S163 VanDerWaalsContact C-N 3.28Å; Y161-S163 PolarHBondContact O-N 2.83Å; Y161-R164 VanDerWaalsContact CZ-NH1 3.29Å; Y161-R164 WeakPolarHBondContact O-CB 3.38Å; Y161-R164 WeakPolarHBondContact O-CD 3.28Å; Y161-R164 WeakPolarHBondContact O-CG 3.49Å; Y161-R164 PolarHBondContact O-N 2.78Å; Y161-R164 PolarHBondContact O-NH1 2.75Å; Y161-R164 VanDerWaalsContact OH-CZ 3.25Å; Y161-R164 PolarHBondContact OH-NH2 3.26Å; Y161-T351 HydrophobicContact CD2-CG2 4.29Å; Y161-T351 HydrophobicContact CG-CG2 3.96Å; Y161-D358 HydrophobicContact CD1-CB 3.74Å; Y161-D358 HydrophobicContact CE1-CB 3.69Å; Y161-P359 HydrophobicContact CD1-CG 4.19Å; Y161-P359 HydrophobicContact CD2-CG 3.95Å; Y161-P359 HydrophobicContact CE1-CB 4.35Å; Y161-P359 HydrophobicContact CE1-CG 3.9Å; Y161-P359 HydrophobicContact CE2-CB 3.93Å; Y161-P359 HydrophobicContact CE2-CG 3.66Å; Y161-P359 HydrophobicContact CG-CG 4.24Å; Y161-P359 VanDerWaalsContact OH-CA 3.28Å; Y161-P359 WeakPolarHBondContact OH-CA 3.39Å; Y161-D362 WeakPolarHBondContact OH-CB 3.42Å; Y161-D362 PolarHBondContact OH-OD2 2.99Å; Y161-D362 VanDerWaalsContact OH-OD2 3.06Å; Y161-Q566 PolarHBondContact N-O 2.77Å; Y161-I598 HydrophobicContact CE2-CG2 4.27Å
162N92.8Very high86.7Confident86 Ų8671.6 Ų71.646%0.4643%0.427SS..Hα-helixtrans-71.9-21-176.3-71.6-37.3000113.6S158 D358S158-N162 PolarHBondContact O-N 3.12Å; S158-N162 PolarHBondContact O-ND2 3.07Å; N162-D358 PolarHBondContact ND2-OD2 2.77Å
163S94.1Very high88.5Confident89 Ų8972 Ų7262%0.62243%0.43SS*.THydrogen-bonded Turntrans-92.27.8176.855.10000114.4Q159 K160 Y161Q159-S163 WeakPolarHBondContact O-CB 3.39Å; Q159-S163 PolarHBondContact O-N 3.06Å; Q159-S163 PolarHBondContact O-OG 3.36Å; K160-S163 PolarHBondContact O-OG 2.96Å; Y161-S163 VanDerWaalsContact C-N 3.28Å; Y161-S163 PolarHBondContact O-N 2.83Å
164R94.9Very high89.9Confident37 Ų3768.7 Ų68.714%0.1440%0.403CS..  trans-66.9141.6-17875.9-168.6180-72-1.8112.3Y161 D362 I598Y161-R164 VanDerWaalsContact CZ-NH1 3.29Å; Y161-R164 WeakPolarHBondContact O-CB 3.38Å; Y161-R164 WeakPolarHBondContact O-CD 3.28Å; Y161-R164 WeakPolarHBondContact O-CG 3.49Å; Y161-R164 PolarHBondContact O-N 2.78Å; Y161-R164 PolarHBondContact O-NH1 2.75Å; Y161-R164 VanDerWaalsContact OH-CZ 3.25Å; Y161-R164 PolarHBondContact OH-NH2 3.26Å; R164-D362 IonicContact CZ-OD2 3.64Å; R164-D362 IonicContact NH1-OD2 2.77Å; R164-D362 PolarHBondContact NH1-OD2 3.45Å; R164-D362 IonicContact NH2-OD2 3.99Å; R164-D362 PolarHBondContact NH2-OD2 3.03Å; R164-I598 WeakPolarHBondContact CD-O 3.48Å; R164-I598 PolarHBondContact NE-O 2.94Å; R164-I598 PolarHBondContact NE-OXT 2.91Å; R164-I598 PolarHBondContact NH2-OXT 3.16Å
165S94.8Very high91Very high124 Ų12468.2 Ų68.287%0.86741%0.408SS*.SBendtrans-104.5-8.4179.256.50000114
166N93.9Very high91.5Very high44 Ų4468.4 Ų68.424%0.23540%0.403CS..  trans-98.815.7-17461.1-13000113.5G168 E169 R597N166-G168 PolarHBondContact O-N 3.18Å; N166-E169 VanDerWaalsContact O-CB 3.25Å; N166-E169 WeakPolarHBondContact O-CB 3.37Å; N166-E169 PolarHBondContact O-N 3.05Å; N166-R597 WeakPolarHBondContact ND2-CD 3.32Å; N166-R597 PolarHBondContact ND2-NE 2.86Å; N166-R597 VanDerWaalsContact O-CB 3.27Å; N166-R597 WeakPolarHBondContact O-CB 3.38Å; N166-R597 WeakPolarHBondContact O-CD 3.49Å
167R94.7Very high90.9Very high126 Ų12664.6 Ų64.648%0.47538%0.381SS..THydrogen-bonded Turntrans-56.4129174.5176.3176.4-176156.711.1110.2E169 D362R167-E169 VanDerWaalsContact C-N 3.27Å; R167-E169 PolarHBondContact O-N 3.47Å; R167-D362 IonicContact CZ-OD1 3.05Å; R167-D362 IonicContact NH1-OD1 3.52Å; R167-D362 PolarHBondContact NH1-OD1 2.83Å; R167-D362 IonicContact NH1-OD2 2.67Å; R167-D362 IonicContact NH2-OD1 3.48Å; R167-D362 PolarHBondContact NH2-OD1 2.89Å
168G93.4Very high89.6Confident46 Ų4671.2 Ų71.247%0.47441%0.407SS..THydrogen-bonded Turntrans78.32.7178.800000115.2N166 V170 R597N166-G168 PolarHBondContact O-N 3.18Å; G168-V170 PolarHBondContact O-N 2.88Å; G168-R597 WeakPolarHBondContact CA-O 2.96Å; G168-R597 PolarHBondContact N-O 3.49Å
169E95.6Very high88.4Confident95 Ų9575.4 Ų75.444%0.44445%0.451SS..  trans-64.1124.4175.2-175.4-170.4-172.400110.4N166 R167 V171 V596 R597N166-E169 VanDerWaalsContact O-CB 3.25Å; N166-E169 WeakPolarHBondContact O-CB 3.37Å; N166-E169 PolarHBondContact O-N 3.05Å; R167-E169 VanDerWaalsContact C-N 3.27Å; R167-E169 PolarHBondContact O-N 3.47Å; E169-V171 HydrophobicContact CG-CG1 4.28Å; E169-V171 PolarHBondContact O-N 3.5Å; E169-V596 CarbonylContact O-C 3.55Å; E169-V596 WeakPolarHBondContact O-CA 3.41Å; E169-R597 HydrophobicContact CB-CB 4.35Å; E169-R597 HydrophobicContact CB-CG 4.29Å; E169-R597 PolarHBondContact O-N 2.97Å; E169-R597 VanDerWaalsContact OE2-CD 3.23Å; E169-R597 WeakPolarHBondContact OE2-CD 3.25Å; E169-R597 IonicContact OE2-NE 3.72Å; E169-R597 PolarHBondContact OE2-NE 3.09Å
170V95.5Very high86.7Confident65 Ų6572.7 Ų72.739%0.39444%0.442SS..EExtended strand (participates in β ladder)trans-79.4116.5172-177.60000108.6G168 Q594 V596G168-V170 PolarHBondContact O-N 2.88Å; V170-Q594 HydrophobicContact CG1-CB 4.28Å; V170-Q594 HydrophobicContact CG1-CG 3.96Å; V170-V596 HydrophobicContact CG2-CG2 4.27Å
171V96.3Very high86Confident29 Ų2972.4 Ų72.418%0.17645%0.454CS..EExtended strand (participates in β ladder)trans-102.4-22.6-173.9-68.90000113.7E169 Y546 T570 V595 R597E169-V171 HydrophobicContact CG-CG1 4.28Å; E169-V171 PolarHBondContact O-N 3.5Å; V171-Y546 HydrophobicContact CB-CD2 4.36Å; V171-Y546 HydrophobicContact CB-CE1 4.25Å; V171-Y546 HydrophobicContact CB-CE2 3.52Å; V171-Y546 VanDerWaalsContact CB-CZ 3.46Å; V171-Y546 WeakPolarHBondContact CB-OH 3.26Å; V171-Y546 HydrophobicContact CG2-CD1 4.17Å; V171-Y546 HydrophobicContact CG2-CD2 3.7Å; V171-Y546 HydrophobicContact CG2-CE1 3.83Å; V171-Y546 HydrophobicContact CG2-CE2 3.34Å; V171-Y546 HydrophobicContact CG2-CG 4.15Å; V171-Y546 VanDerWaalsContact CG2-CZ 3.44Å; V171-T570 HydrophobicContact CG2-CG2 3.95Å; V171-V595 HydrophobicContact CG2-CB 3.96Å; V171-V595 HydrophobicContact CG2-CG1 3.71Å; V171-V595 VanDerWaalsContact CG2-O 3.3Å; V171-V595 WeakPolarHBondContact CG2-O 3.34Å; V171-V595 PolarHBondContact N-O 3.04Å; V171-R597 HydrophobicContact CG1-CG 3.77Å
172T95.2Very high85.7Confident37 Ų3772.9 Ų72.923%0.22746%0.456CS..EExtended strand (participates in β ladder)trans-147.4141.8173.7-61.20000109.3Y546 V548 Q594 V595T172-Y546 VanDerWaalsContact OG1-CD2 3.24Å; T172-Y546 WeakPolarHBondContact OG1-CD2 3.38Å; T172-Y546 WeakPolarHBondContact OG1-CE2 3.4Å; T172-V548 HydrophobicContact CG2-CG2 4.26Å; T172-Q594 WeakPolarHBondContact O-CA 3.41Å; T172-V595 PolarHBondContact N-O 3.35Å; T172-V595 PolarHBondContact O-N 3.45Å
173S94.7Very high85.6Confident80 Ų8071.5 Ų71.556%0.55945%0.453SS*.EExtended strand (participates in β ladder)trans-132.4146.4172.859.90000110.6V593S173-V593 CarbonylContact C-O 3.38Å; S173-V593 WeakPolarHBondContact CA-O 3.5Å
174F94.3Very high85.4Confident54 Ų5467.9 Ų67.924%0.23743%0.43CS..EExtended strand (participates in β ladder)trans-137146.7174.7174.1-89.1000109.8V548 D550 V555 A592 V593F174-V548 HydrophobicContact CB-CB 3.76Å; F174-V548 HydrophobicContact CB-CG1 3.44Å; F174-V548 VanDerWaalsContact CB-CG1 3.44Å; F174-V548 HydrophobicContact CB-CG2 4.39Å; F174-V548 HydrophobicContact CD1-CG1 3.98Å; F174-V548 HydrophobicContact CD2-CG1 3.94Å; F174-V548 HydrophobicContact CG-CB 4.28Å; F174-V548 HydrophobicContact CG-CG1 3.52Å; F174-D550 HydrophobicContact CE2-CB 4.16Å; F174-D550 HydrophobicContact CZ-CB 4.13Å; F174-V555 HydrophobicContact CD1-CG1 4.33Å; F174-V555 HydrophobicContact CE1-CG1 4.12Å; F174-V555 HydrophobicContact CE1-CG2 4.06Å; F174-V555 HydrophobicContact CZ-CG2 4.33Å; F174-A592 WeakPolarHBondContact O-CA 3.32Å; F174-V593 HydrophobicContact CB-CB 4.28Å; F174-V593 HydrophobicContact CD1-CG2 4.37Å; F174-V593 PolarHBondContact N-O 3.24Å; F174-V593 PolarHBondContact O-N 3.07Å
175G89.7Confident85.1Confident51 Ų5169.9 Ų69.953%0.52644%0.438SS..EExtended strand (participates in β ladder)trans69-158.6-177.400000113.4A177 V591G175-A177 PolarHBondContact O-N 2.98Å; G175-V591 WeakPolarHBondContact CA-O 3.36Å
176S79.8Confident84.5Confident103 Ų10364 Ų6472%0.7240%0.396SS*.SBendtrans-81.660-176.7-63.70000112V591S176-V591 PolarHBondContact N-O 3.22Å
177A66.1Low83.5Confident6 Ų663.9 Ų63.95%0.0541%0.406CS..  trans-88.13.7-172.500000115.2G175 W182 A592 Q594G175-A177 PolarHBondContact O-N 2.98Å; A177-W182 HydrophobicContact CB-CZ2 4.49Å; A177-A592 HydrophobicContact CB-CB 4.14Å; A177-Q594 HydrophobicContact CB-CG 4.09Å; A177-Q594 PolarHBondContact O-NE2 3.18Å; A177-Q594 VanDerWaalsContact O-NE2 3.12Å
178Q52.6Low82.6Confident188 Ų18860.8 Ų60.888%0.87941%0.407SS*.SBendtrans-80.1131.3-176.5-69.6-171.9-0.100112.1V180Q178-V180 VanDerWaalsContact C-N 3.33Å; Q178-V180 PolarHBondContact O-N 3.41Å
179G59.1Low81.7Confident89 Ų8961.2 Ų61.292%0.91841%0.411SS*.SBendtrans78.51.516700000117.1
180V55.8Low81Confident64 Ų6463 Ų6339%0.38842%0.423SS..  trans-86.5118.5179.6-170.90000109.6Q178 W182 Y575Q178-V180 VanDerWaalsContact C-N 3.33Å; Q178-V180 PolarHBondContact O-N 3.41Å; V180-W182 PolarHBondContact O-N 3.12Å; V180-Y575 HydrophobicContact CB-CE2 4.42Å; V180-Y575 HydrophobicContact CG1-CE2 3.6Å
181S78.1Confident80.8Confident107 Ų10761 Ų6175%0.74841%0.411SS*.  trans-62.3106.9161.5-1790000107S183S181-S183 PolarHBondContact O-N 3.32Å
182W89.2Confident80.6Confident10 Ų1060.6 Ų60.64%0.03841%0.409CS..  trans-68.6106.6-178.5-74.977.8000109.2A177 V180 M341 R573 Y575 A592 Q594A177-W182 HydrophobicContact CB-CZ2 4.49Å; V180-W182 PolarHBondContact O-N 3.12Å; W182-M341 HydrophobicContact CB-CE 4Å; W182-M341 HydrophobicContact CB-SD 4.41Å; W182-M341 HydrophobicContact CE3-CE 3.96Å; W182-M341 HydrophobicContact CE3-CG 4.35Å; W182-M341 HydrophobicContact CE3-SD 4.29Å; W182-R573 VanDerWaalsContact CB-CZ 3.42Å; W182-R573 VanDerWaalsContact CB-NH1 3.35Å; W182-R573 HydrophobicContact CD2-CG 3.73Å; W182-R573 VanDerWaalsContact CD2-NE 3.28Å; W182-R573 HydrophobicContact CE3-CB 3.79Å; W182-R573 VanDerWaalsContact CE3-CD 3.46Å; W182-R573 HydrophobicContact CE3-CG 3.46Å; W182-R573 VanDerWaalsContact CE3-CG 3.46Å; W182-R573 HydrophobicContact CG-CG 4.4Å; W182-R573 HydrophobicContact CH2-CG 4.05Å; W182-R573 VanDerWaalsContact CH2-O 3.26Å; W182-R573 WeakPolarHBondContact CH2-O 3.1Å; W182-R573 HydrophobicContact CZ2-CG 4.32Å; W182-R573 VanDerWaalsContact CZ3-C 3.45Å; W182-R573 HydrophobicContact CZ3-CB 3.8Å; W182-R573 HydrophobicContact CZ3-CG 3.63Å; W182-R573 WeakPolarHBondContact CZ3-O 3.49Å; W182-Y575 WeakPolarHBondContact CA-OH 3.45Å; W182-Y575 HydrophobicContact CD2-CD2 4.04Å; W182-Y575 AromaticContact CD2-CE2 3.58Å; W182-Y575 HydrophobicContact CD2-CE2 3.58Å; W182-Y575 AromaticContact CE3-CD2 3.56Å; W182-Y575 HydrophobicContact CE3-CD2 3.56Å; W182-Y575 AromaticContact CE3-CE2 3.34Å; W182-Y575 HydrophobicContact CE3-CE2 3.34Å; W182-Y575 HydrophobicContact CE3-CG 4.28Å; W182-Y575 AromaticContact CE3-CZ 3.93Å; W182-Y575 HydrophobicContact CG-CE2 4.16Å; W182-Y575 AromaticContact CH2-CD2 3.67Å; W182-Y575 HydrophobicContact CH2-CD2 3.67Å; W182-Y575 HydrophobicContact CH2-CE2 4.23Å; W182-Y575 HydrophobicContact CH2-CG 4.36Å; W182-Y575 HydrophobicContact CZ2-CD2 4.1Å; W182-Y575 HydrophobicContact CZ2-CE2 4.4Å; W182-Y575 AromaticContact CZ3-CD2 3.36Å; W182-Y575 HydrophobicContact CZ3-CD2 3.36Å; W182-Y575 AromaticContact CZ3-CE2 3.7Å; W182-Y575 HydrophobicContact CZ3-CE2 3.7Å; W182-Y575 AromaticContact CZ3-CG 3.87Å; W182-Y575 HydrophobicContact CZ3-CG 3.87Å; W182-A592 HydrophobicContact CH2-CB 4.32Å; W182-A592 HydrophobicContact CZ2-CB 4.47Å; W182-Q594 HydrophobicContact CH2-CB 4.49Å; W182-Q594 HydrophobicContact CZ2-CB 3.9Å; W182-Q594 HydrophobicContact CZ2-CG 3.61Å; W182-Q594 VanDerWaalsContact NE1-NE2 3.16Å
183S90.4Very high80.5Confident57 Ų5760.4 Ų60.440%0.39941%0.407SS..  trans-145.4136.6171.9-171.10000109.4S181 M341 D370 Y575S181-S183 PolarHBondContact O-N 3.32Å; S183-M341 VanDerWaalsContact C-SD 3.51Å; S183-D370 CarbonylContact C-O 3.52Å; S183-D370 WeakPolarHBondContact CA-O 3.28Å; S183-D370 PolarHBondContact OG-O 2.9Å; S183-D370 VanDerWaalsContact OG-O 3.11Å; S183-Y575 PolarHBondContact N-OH 2.93Å; S183-Y575 PolarHBondContact O-OH 3.44Å
184G89.2Confident80.5Confident13 Ų1362.1 Ų62.113%0.13440%0.404CS..  trans-90.9-176.2169.200000110.7G186 M341 D370 R371 D373G184-G186 VanDerWaalsContact C-N 3.31Å; G184-M341 PolarHBondContact N-SD 3.02Å; G184-M341 VanDerWaalsContact N-SD 3.36Å; G184-D370 PolarHBondContact N-O 3.44Å; G184-R371 CarbonylContact C-O 3.56Å; G184-R371 WeakPolarHBondContact CA-O 3.23Å; G184-R371 PolarHBondContact N-O 3.41Å; G184-D373 WeakPolarHBondContact CA-OD2 3.14Å
185R88.3Confident80.5Confident80 Ų8061.5 Ų61.530%0.30241%0.405SS..  trans-936171.7-63.8-170.5-61.8-89.8-26.2112.2G187 A188 E338 Q339 D373R185-G187 PolarHBondContact O-N 2.64Å; R185-A188 HydrophobicContact CB-CB 4.23Å; R185-A188 WeakPolarHBondContact CB-O 3.35Å; R185-A188 PolarHBondContact NE-O 2.86Å; R185-A188 WeakPolarHBondContact O-CB 3.23Å; R185-A188 PolarHBondContact O-N 2.93Å; R185-E338 IonicContact CZ-OE2 3.41Å; R185-E338 IonicContact NE-OE2 3.6Å; R185-E338 IonicContact NH1-OE2 3.09Å; R185-E338 PolarHBondContact NH1-OE2 2.98Å; R185-E338 IonicContact NH2-OE2 3.66Å; R185-Q339 VanDerWaalsContact CZ-O 3.24Å; R185-Q339 PolarHBondContact NH1-O 3.02Å; R185-Q339 PolarHBondContact NH2-O 3.09Å; R185-D373 PolarHBondContact N-OD1 2.85Å; R185-D373 IonicContact NH2-OD1 2.8Å
186G82Confident80.5Confident0 Ų061.3 Ų61.30%039%0.391CS..THydrogen-bonded Turntrans57.8-116.2-171.700000110.5G184 R371 D373 S416 G417G184-G186 VanDerWaalsContact C-N 3.31Å; G186-R371 WeakPolarHBondContact CA-O 3.41Å; G186-R371 PolarHBondContact N-O 2.67Å; G186-D373 WeakPolarHBondContact O-CA 3.33Å; G186-S416 WeakPolarHBondContact CA-O 3.38Å; G186-G417 CarbonylContact C-O 3.56Å
187G73.3Confident80.2Confident42 Ų4258.1 Ų58.143%0.43337%0.374SS..THydrogen-bonded Turntrans-93.5517600000115R185 G189 G417R185-G187 PolarHBondContact O-N 2.64Å; G187-G189 PolarHBondContact O-N 2.8Å; G187-G417 WeakPolarHBondContact CA-O 3.46Å; G187-G417 PolarHBondContact N-O 2.87Å; G187-G417 VanDerWaalsContact N-O 3.09Å
188A75.8Confident79.8Confident61 Ų6162.8 Ų62.850%0.50441%0.405SS..  trans-87.2110.2-177.800000111.2R185R185-A188 HydrophobicContact CB-CB 4.23Å; R185-A188 WeakPolarHBondContact CB-O 3.35Å; R185-A188 PolarHBondContact NE-O 2.86Å; R185-A188 WeakPolarHBondContact O-CB 3.23Å; R185-A188 PolarHBondContact O-N 2.93Å
189G73.9Confident80.2Confident54 Ų5458.9 Ų58.956%0.55740%0.396SS*.SBendtrans129.1-179.9179.300000111.9G187G187-G189 PolarHBondContact O-N 2.8Å
190N82.4Confident81.1Confident132 Ų13261.5 Ų61.571%0.70639%0.385SS*.  trans-88.9110.7176.1-151.75.1000108.6
191I89.6Confident82.5Confident24 Ų2460.6 Ų60.612%0.12338%0.379CS..  trans-109.9117.3174.9-59-59.4000108.1L193 D373 V374I191-L193 HydrophobicContact CG2-CD2 4.33Å; I191-L193 HydrophobicContact CG2-CG 4.08Å; I191-D373 HydrophobicContact CD1-CB 3.81Å; I191-D373 HydrophobicContact CG1-CB 4.47Å; I191-V374 HydrophobicContact CG2-CG2 4.09Å
192S92.4Very high83Confident21 Ų2155.8 Ų55.815%0.14735%0.345CS..  trans-105.7110.3176.4170.40000109.4K194 N465S192-K194 WeakPolarHBondContact OG-CE 3.34Å; S192-N465 PolarHBondContact N-OD1 3.08Å; S192-N465 PolarHBondContact O-N 3.26Å
193L94.3Very high83Confident33 Ų3361.1 Ų61.117%0.17338%0.379CS..EExtended strand (participates in β ladder)trans-107.3115.4171.3-62.2177.8000109.5I191 V374 H419 V421 S463 I464I191-L193 HydrophobicContact CG2-CD2 4.33Å; I191-L193 HydrophobicContact CG2-CG 4.08Å; L193-V374 HydrophobicContact CD2-CG1 4.33Å; L193-V374 HydrophobicContact CD2-CG2 3.98Å; L193-H419 HydrophobicContact CD1-CB 3.69Å; L193-V421 HydrophobicContact CD1-CG2 4.17Å; L193-S463 WeakPolarHBondContact CA-O 3.41Å; L193-I464 HydrophobicContact CD2-CB 4.21Å; L193-I464 HydrophobicContact CD2-CD1 4.39Å; L193-I464 HydrophobicContact CD2-CG1 3.77Å; L193-I464 HydrophobicContact CD2-CG2 3.98Å
194K94.3Very high82.8Confident116 Ų11660 Ų6050%0.50438%0.377SS..EExtended strand (participates in β ladder)trans-130121.9-179.9-63174.2-177.3169.10109.5S192 L196 S463S192-K194 WeakPolarHBondContact OG-CE 3.34Å; K194-L196 WeakPolarHBondContact O-CD1 3.11Å; K194-S463 PolarHBondContact N-O 3.41Å; K194-S463 PolarHBondContact O-N 2.91Å
195V94.2Very high82.8Confident41 Ų4164 Ų6425%0.24840%0.402CS..EExtended strand (participates in β ladder)trans-77.5128.7172.4-171.30000108.5V201 Q454 V456 L462V195-V201 HydrophobicContact CB-CG1 4.08Å; V195-V201 HydrophobicContact CB-CG2 4.05Å; V195-V201 HydrophobicContact CG1-CB 4.29Å; V195-V201 HydrophobicContact CG1-CG1 3.45Å; V195-V201 VanDerWaalsContact CG1-CG1 3.45Å; V195-V201 HydrophobicContact CG1-CG2 3.77Å; V195-Q454 VanDerWaalsContact CG2-NE2 3.32Å; V195-V456 HydrophobicContact CG2-CG1 3.86Å; V195-L462 HydrophobicContact CG2-CD1 4.15Å
196L90.4Very high82.9Confident47 Ų4762.1 Ų62.125%0.24640%0.395CS..EExtended strand (participates in β ladder)trans-93.7123.6174.5-64.386.5000108.1K194 S461 S463 I468K194-L196 WeakPolarHBondContact O-CD1 3.11Å; L196-S461 PolarHBondContact N-O 3.49Å; L196-S463 VanDerWaalsContact CD1-CB 3.44Å; L196-I468 HydrophobicContact CD1-CD1 4.13Å; L196-I468 HydrophobicContact CD2-CD1 3.9Å
197G72.3Confident83.1Confident35 Ų3571.8 Ų71.836%0.36144%0.437SS..  trans-131.7144.8169.700000108.8
198C58.3Low83.5Confident104 Ų10471 Ų7170%0.70343%0.426SS*.SBendtrans-141.7105.9173.2-150.80000107
199P59.9Low84.1Confident107 Ų10777.1 Ų77.170%0.69545%0.446SS*.SBendcis-83.6-31.813.8-7.725.4000115.3
200E79Confident85Confident144 Ų14481.9 Ų81.967%0.67345%0.451SS*.  trans-138.5162.1-177.9-68.4-174.4175.300110.3Y528E200-Y528 WeakPolarHBondContact O-CE1 3.16Å
201V84.5Confident85.7Confident44 Ų4478.3 Ų78.327%0.26743%0.43SS..  trans-85.7138.5175.2178.50000108.8V195 T203V195-V201 HydrophobicContact CB-CG1 4.08Å; V195-V201 HydrophobicContact CB-CG2 4.05Å; V195-V201 HydrophobicContact CG1-CB 4.29Å; V195-V201 HydrophobicContact CG1-CG1 3.45Å; V195-V201 VanDerWaalsContact CG1-CG1 3.45Å; V195-V201 HydrophobicContact CG1-CG2 3.77Å; V201-T203 HydrophobicContact CB-CG2 4.36Å; V201-T203 HydrophobicContact CG1-CG2 4.34Å; V201-T203 PolarHBondContact O-N 2.79Å
202L89.9Confident86Confident7 Ų782.7 Ų82.74%0.03745%0.448CS..  trans-68.6101171-177.260.8000109.7G204 Y206 P436 P438 P439 Y528L202-G204 WeakPolarHBondContact CD1-O 3.42Å; L202-Y206 HydrophobicContact CD1-CD1 4.08Å; L202-Y206 HydrophobicContact CD2-CD1 4.46Å; L202-Y206 HydrophobicContact CD2-CE1 4.29Å; L202-P436 HydrophobicContact CD2-CB 4.5Å; L202-P438 HydrophobicContact CD2-CB 4.24Å; L202-P438 HydrophobicContact CG-CB 4.28Å; L202-P439 WeakPolarHBondContact O-CD 3.46Å; L202-P439 WeakPolarHBondContact O-CG 3.42Å; L202-Y528 HydrophobicContact CB-CD1 3.75Å; L202-Y528 HydrophobicContact CB-CD2 4.39Å; L202-Y528 HydrophobicContact CB-CE1 3.99Å; L202-Y528 HydrophobicContact CB-CG 3.95Å; L202-Y528 HydrophobicContact CD1-CD2 4.34Å; L202-Y528 HydrophobicContact CD1-CE2 4.05Å
203T88.3Confident86.3Confident122 Ų12288.4 Ų88.475%0.74848%0.477SS*.  trans-101.6-16.6-17756.60000114.3V201V201-T203 HydrophobicContact CB-CG2 4.36Å; V201-T203 HydrophobicContact CG1-CG2 4.34Å; V201-T203 PolarHBondContact O-N 2.79Å
204G87.5Confident86.5Confident34 Ų3491 Ų9135%0.35150%0.496SS..SBendtrans-145.7166.7-17300000112.5L202 P438L202-G204 WeakPolarHBondContact CD1-O 3.42Å; G204-P438 WeakPolarHBondContact O-CB 3.35Å
205S88.9Confident86.6Confident95 Ų9587.9 Ų87.966%0.66448%0.484SS*.  trans-61.3145.1173.8174.20000110.8
206Y89.6Confident86.8Confident41 Ų4187.2 Ų87.216%0.16148%0.479CS..  trans-123.1165.7176.764.7-85.2000109.3L202 S208 P436 D521 T524L202-Y206 HydrophobicContact CD1-CD1 4.08Å; L202-Y206 HydrophobicContact CD2-CD1 4.46Å; L202-Y206 HydrophobicContact CD2-CE1 4.29Å; Y206-S208 PolarHBondContact O-N 2.97Å; Y206-S208 VanDerWaalsContact O-N 3.15Å; Y206-P436 VanDerWaalsContact CE1-O 3.28Å; Y206-P436 WeakPolarHBondContact CE1-O 3.18Å; Y206-P436 PolarHBondContact OH-O 2.93Å; Y206-D521 HydrophobicContact CE2-CB 4.07Å; Y206-T524 HydrophobicContact CD1-CG2 4.11Å; Y206-T524 HydrophobicContact CD2-CG2 4.25Å; Y206-T524 WeakPolarHBondContact CD2-OG1 3.3Å; Y206-T524 HydrophobicContact CE1-CG2 3.71Å; Y206-T524 HydrophobicContact CE2-CG2 3.86Å; Y206-T524 WeakPolarHBondContact CE2-OG1 3.19Å; Y206-T524 HydrophobicContact CG-CG2 4.37Å
207K85.5Confident87.1Confident204 Ų20491.4 Ų91.489%0.88749%0.492SS*.  trans-76.9104.8177.7-70-178179.5-179.60109.2
208S83Confident88.4Confident26 Ų2693.5 Ų93.518%0.18249%0.492CS..  trans-93.8-167.8169.666.80000110.1Y206 F210 E432Y206-S208 PolarHBondContact O-N 2.97Å; Y206-S208 VanDerWaalsContact O-N 3.15Å; S208-F210 PolarHBondContact O-N 3.37Å; S208-E432 PolarHBondContact OG-OE1 2.99Å
209M87Confident90.2Very high189 Ų18989.2 Ų89.293%0.93146%0.463SS*.SBendtrans82.6-13.5170.9-154.5-171.7-165.300117.2
210F94.4Very high92.1Very high154 Ų15485 Ų8568%0.67543%0.434SS*.  trans-142.1122.2173.9178.2-91.1000110.8S208 K212S208-F210 PolarHBondContact O-N 3.37Å; F210-K212 HydrophobicContact CE1-CD 4.43Å; F210-K212 HydrophobicContact CE1-CG 3.55Å; F210-K212 HydrophobicContact CZ-CG 4.02Å
211Q96.1Very high93Very high56 Ų5678.8 Ų78.826%0.26241%0.406SS..  trans-125.8141.1174.2-67.4176.378.700109I216 I520 D521Q211-I216 HydrophobicContact CB-CD1 3.88Å; Q211-I216 HydrophobicContact CB-CG1 4.15Å; Q211-I520 PolarHBondContact NE2-O 2.55Å; Q211-D521 WeakPolarHBondContact CG-OD2 3.28Å
212K97Very high93.6Very high116 Ų11677.8 Ų77.850%0.50440%0.401SS..  trans-90.9135.8172.5-48.5179-167.2144.60109F210 P214 D215 I216F210-K212 HydrophobicContact CE1-CD 4.43Å; F210-K212 HydrophobicContact CE1-CG 3.55Å; F210-K212 HydrophobicContact CZ-CG 4.02Å; K212-P214 VanDerWaalsContact C-N 3.29Å; K212-D215 WeakPolarHBondContact CB-OD2 3.12Å; K212-D215 WeakPolarHBondContact CD-OD2 3.48Å; K212-D215 PolarHBondContact O-N 2.91Å; K212-I216 PolarHBondContact O-N 3.25Å; K212-I216 VanDerWaalsContact O-N 3.17Å
213L97.9Very high93.9Very high142 Ų14279 Ų7974%0.74341%0.406SS*.Hα-helixtrans-53.9-38177.6-56.6176.7000113.8D215 I216 R217L213-D215 VanDerWaalsContact C-N 3.3Å; L213-D215 PolarHBondContact O-N 3.33Å; L213-I216 HydrophobicContact CD2-CD1 4.49Å; L213-I216 PolarHBondContact O-N 3.49Å; L213-R217 WeakPolarHBondContact O-CB 3.5Å; L213-R217 PolarHBondContact O-N 3.19Å
214P98.1Very high94.4Very high87 Ų8773.3 Ų73.357%0.56537%0.371SS*.Hα-helixtrans-61.1-35.8174.3-25.536.9000114K212 R217 E218K212-P214 VanDerWaalsContact C-N 3.29Å; P214-R217 WeakPolarHBondContact O-CB 3.24Å; P214-R217 PolarHBondContact O-N 3.38Å; P214-E218 PolarHBondContact O-N 3.49Å
215D97.2Very high94.9Very high50 Ų5073.5 Ų73.527%0.26736%0.362SS..Hα-helixtrans-74.6-40.2-177.7-56.5-29.3000109.9K212 L213 R217 E218 V219 E523K212-D215 WeakPolarHBondContact CB-OD2 3.12Å; K212-D215 WeakPolarHBondContact CD-OD2 3.48Å; K212-D215 PolarHBondContact O-N 2.91Å; L213-D215 VanDerWaalsContact C-N 3.3Å; L213-D215 PolarHBondContact O-N 3.33Å; D215-R217 VanDerWaalsContact C-N 3.33Å; D215-R217 PolarHBondContact O-N 3.44Å; D215-E218 WeakPolarHBondContact O-CB 3.45Å; D215-E218 PolarHBondContact O-N 2.76Å; D215-V219 PolarHBondContact O-N 2.76Å; D215-V219 VanDerWaalsContact O-N 3.07Å; D215-E523 HydrophobicContact CB-CG 4.15Å
216I97.8Very high95.3Very high27 Ų2773.3 Ų73.314%0.13835%0.351CS..Hα-helixtrans-59.2-45.7170.5-60175.3000110.6Q211 K212 L213 E218 V219 L220 Y522Q211-I216 HydrophobicContact CB-CD1 3.88Å; Q211-I216 HydrophobicContact CB-CG1 4.15Å; K212-I216 PolarHBondContact O-N 3.25Å; K212-I216 VanDerWaalsContact O-N 3.17Å; L213-I216 HydrophobicContact CD2-CD1 4.49Å; L213-I216 PolarHBondContact O-N 3.49Å; I216-E218 VanDerWaalsContact C-N 3.27Å; I216-E218 PolarHBondContact O-N 3.37Å; I216-V219 PolarHBondContact O-N 2.98Å; I216-L220 HydrophobicContact CG2-CD1 3.92Å; I216-L220 HydrophobicContact CG2-CG 4.43Å; I216-L220 WeakPolarHBondContact O-CG 3.22Å; I216-L220 PolarHBondContact O-N 2.82Å; I216-Y522 HydrophobicContact CD1-CD2 4.24Å; I216-Y522 HydrophobicContact CG1-CD2 4.09Å; I216-Y522 HydrophobicContact CG2-CD2 3.77Å; I216-Y522 HydrophobicContact CG2-CE2 4.25Å; I216-Y522 HydrophobicContact CG2-CG 4.03Å
217R97.8Very high95.8Very high136 Ų13672 Ų7251%0.51335%0.347SS..Hα-helixtrans-59-40.6177179.5-174.4177.3-133.42.4111.3L213 P214 D215 L220 T221L213-R217 WeakPolarHBondContact O-CB 3.5Å; L213-R217 PolarHBondContact O-N 3.19Å; P214-R217 WeakPolarHBondContact O-CB 3.24Å; P214-R217 PolarHBondContact O-N 3.38Å; D215-R217 VanDerWaalsContact C-N 3.33Å; D215-R217 PolarHBondContact O-N 3.44Å; R217-L220 PolarHBondContact O-N 3.31Å; R217-T221 WeakPolarHBondContact O-CB 3.34Å; R217-T221 PolarHBondContact O-N 3.36Å; R217-T221 PolarHBondContact O-OG1 3.31Å
218E98Very high96.4Very high78 Ų7862.3 Ų62.336%0.36431%0.305SS..Hα-helixtrans-60.8-49.9177-164.464-147.400110.8P214 D215 I216 L220 T221 C222 R276P214-E218 PolarHBondContact O-N 3.49Å; D215-E218 WeakPolarHBondContact O-CB 3.45Å; D215-E218 PolarHBondContact O-N 2.76Å; I216-E218 VanDerWaalsContact C-N 3.27Å; I216-E218 PolarHBondContact O-N 3.37Å; E218-L220 VanDerWaalsContact C-N 3.34Å; E218-L220 PolarHBondContact O-N 2.86Å; E218-T221 WeakPolarHBondContact O-CB 3.31Å; E218-T221 PolarHBondContact O-N 3.34Å; E218-T221 VanDerWaalsContact O-N 3.09Å; E218-C222 PolarHBondContact O-N 3.46Å; E218-C222 PolarHBondContact O-SG 3.23Å; E218-C222 VanDerWaalsContact O-SG 3.32Å; E218-R276 VanDerWaalsContact CD-NH1 3.35Å; E218-R276 IonicContact OE1-CZ 3.59Å; E218-R276 IonicContact OE1-NH1 3.58Å; E218-R276 PolarHBondContact OE1-NH1 2.77Å; E218-R276 IonicContact OE1-NH2 3.98Å; E218-R276 PolarHBondContact OE1-NH2 3.4Å; E218-R276 IonicContact OE2-CZ 2.72Å; E218-R276 IonicContact OE2-NH1 2.82Å; E218-R276 PolarHBondContact OE2-NH1 2.89Å; E218-R276 IonicContact OE2-NH2 3.53Å
219V97.7Very high97.1Very high15 Ų1564 Ų649%0.09132%0.317CS..Hα-helixtrans-57.4-45.6179.2169.90000112D215 I216 T221 C222 K223 Y522 Y526D215-V219 PolarHBondContact O-N 2.76Å; D215-V219 VanDerWaalsContact O-N 3.07Å; I216-V219 PolarHBondContact O-N 2.98Å; V219-T221 VanDerWaalsContact C-N 3.31Å; V219-T221 PolarHBondContact O-N 2.9Å; V219-C222 PolarHBondContact O-N 3.44Å; V219-K223 WeakPolarHBondContact O-CB 3.46Å; V219-K223 PolarHBondContact O-N 3.19Å; V219-Y522 HydrophobicContact CG1-CD1 4.45Å; V219-Y526 HydrophobicContact CG1-CD2 4.27Å; V219-Y526 HydrophobicContact CG1-CG 4.36Å; V219-Y526 HydrophobicContact CG2-CG 4.39Å
220L97.9Very high97.6Very high19 Ų1959.2 Ų59.210%0.09929%0.292CS..Hα-helixtrans-66.7-35178.8-65.4169000112.1I216 R217 E218 I224 Y512 Y522I216-L220 HydrophobicContact CG2-CD1 3.92Å; I216-L220 HydrophobicContact CG2-CG 4.43Å; I216-L220 WeakPolarHBondContact O-CG 3.22Å; I216-L220 PolarHBondContact O-N 2.82Å; R217-L220 PolarHBondContact O-N 3.31Å; E218-L220 VanDerWaalsContact C-N 3.34Å; E218-L220 PolarHBondContact O-N 2.86Å; L220-I224 WeakPolarHBondContact O-CG1 3.38Å; L220-I224 PolarHBondContact O-N 2.9Å; L220-Y512 HydrophobicContact CD1-CE1 3.89Å; L220-Y512 HydrophobicContact CD1-CE2 3.77Å; L220-Y512 WeakPolarHBondContact CD1-OH 3.29Å; L220-Y512 HydrophobicContact CD2-CD1 4.19Å; L220-Y512 HydrophobicContact CD2-CD2 3.79Å; L220-Y512 HydrophobicContact CD2-CE1 4.15Å; L220-Y512 HydrophobicContact CD2-CE2 3.75Å; L220-Y512 HydrophobicContact CD2-CG 4.02Å; L220-Y512 HydrophobicContact CG-CE2 4.38Å; L220-Y522 HydrophobicContact CD2-CE1 4.36Å
221T97.9Very high97.8Very high12 Ų1252.2 Ų52.27%0.07426%0.261CS..Hα-helixtrans-65.8-51.3175.1-58.60000110.3R217 E218 V219 K223 I224 E225 R276R217-T221 WeakPolarHBondContact O-CB 3.34Å; R217-T221 PolarHBondContact O-N 3.36Å; R217-T221 PolarHBondContact O-OG1 3.31Å; E218-T221 WeakPolarHBondContact O-CB 3.31Å; E218-T221 PolarHBondContact O-N 3.34Å; E218-T221 VanDerWaalsContact O-N 3.09Å; V219-T221 VanDerWaalsContact C-N 3.31Å; V219-T221 PolarHBondContact O-N 2.9Å; T221-K223 VanDerWaalsContact C-N 3.29Å; T221-K223 PolarHBondContact O-N 2.84Å; T221-I224 PolarHBondContact O-N 2.8Å; T221-E225 VanDerWaalsContact CG2-CD 3.42Å; T221-E225 HydrophobicContact CG2-CG 4.22Å; T221-E225 WeakPolarHBondContact CG2-OE1 3.41Å; T221-E225 WeakPolarHBondContact O-CG 3.35Å; T221-E225 PolarHBondContact O-N 3.48Å; T221-R276 HydrophobicContact CG2-CB 3.49Å; T221-R276 VanDerWaalsContact CG2-CB 3.49Å
222C97.6Very high97.8Very high23 Ų2352.6 Ų52.616%0.15526%0.262CS..Hα-helixtrans-56.4-42.8177-65.90000111.6E218 V219 I224 E225 E226 Y526E218-C222 PolarHBondContact O-N 3.46Å; E218-C222 PolarHBondContact O-SG 3.23Å; E218-C222 VanDerWaalsContact O-SG 3.32Å; V219-C222 PolarHBondContact O-N 3.44Å; C222-I224 VanDerWaalsContact C-N 3.27Å; C222-I224 PolarHBondContact O-N 3.12Å; C222-E225 PolarHBondContact O-N 2.98Å; C222-E226 VanDerWaalsContact O-CB 3.26Å; C222-E226 WeakPolarHBondContact O-CB 3.48Å; C222-E226 VanDerWaalsContact O-CG 3.26Å; C222-E226 WeakPolarHBondContact O-CG 3.43Å; C222-E226 PolarHBondContact O-N 2.93Å; C222-Y526 HydrophobicContact CB-CE2 4Å
223K97.4Very high97.9Very high32 Ų3254.1 Ų54.114%0.13927%0.271CS..Hα-helixtrans-52.8-43.3175.2176.2-173.7174-170.50112.4V219 T221 G299 V301 P510V219-K223 WeakPolarHBondContact O-CB 3.46Å; V219-K223 PolarHBondContact O-N 3.19Å; T221-K223 VanDerWaalsContact C-N 3.29Å; T221-K223 PolarHBondContact O-N 2.84Å; K223-G299 WeakPolarHBondContact CE-O 3.3Å; K223-G299 PolarHBondContact NZ-O 3.42Å; K223-V301 HydrophobicContact CD-CG2 4.45Å; K223-V301 HydrophobicContact CG-CG2 4.01Å; K223-P510 PolarHBondContact NZ-O 3.43Å
224I98.4Very high97.8Very high4 Ų452.6 Ų52.62%0.02126%0.26CS..Hα-helixtrans-75.2-46.4-179.3-58.3167000110.3L220 T221 C222 G228 L254 Q256 D275 V301L220-I224 WeakPolarHBondContact O-CG1 3.38Å; L220-I224 PolarHBondContact O-N 2.9Å; T221-I224 PolarHBondContact O-N 2.8Å; C222-I224 VanDerWaalsContact C-N 3.27Å; C222-I224 PolarHBondContact O-N 3.12Å; I224-G228 WeakPolarHBondContact O-CA 3.45Å; I224-G228 PolarHBondContact O-N 3.4Å; I224-L254 HydrophobicContact CG2-CD1 4.04Å; I224-L254 HydrophobicContact CG2-CD2 4.12Å; I224-L254 HydrophobicContact CG2-CG 3.81Å; I224-Q256 HydrophobicContact CD1-CB 3.68Å; I224-Q256 HydrophobicContact CG1-CB 3.96Å; I224-D275 HydrophobicContact CB-CB 4.28Å; I224-D275 HydrophobicContact CG2-CB 3.77Å; I224-V301 HydrophobicContact CG1-CG2 4.25Å; I224-V301 HydrophobicContact CG2-CG1 4.32Å
225E98.3Very high97.8Very high37 Ų3751.9 Ų51.917%0.17325%0.247CC..Hα-helixtrans-68.1-43.5-174.3-69.3175.1177.500112T221 C222 G228 S229 D275 R276 E277T221-E225 VanDerWaalsContact CG2-CD 3.42Å; T221-E225 HydrophobicContact CG2-CG 4.22Å; T221-E225 WeakPolarHBondContact CG2-OE1 3.41Å; T221-E225 WeakPolarHBondContact O-CG 3.35Å; T221-E225 PolarHBondContact O-N 3.48Å; C222-E225 PolarHBondContact O-N 2.98Å; E225-G228 PolarHBondContact O-N 2.95Å; E225-S229 VanDerWaalsContact O-CB 3.27Å; E225-S229 WeakPolarHBondContact O-CB 3.32Å; E225-S229 PolarHBondContact O-N 3.4Å; E225-D275 HydrophobicContact CG-CB 3.81Å; E225-R276 PolarHBondContact OE1-N 2.81Å; E225-E277 WeakPolarHBondContact OE1-CB 3.4Å; E225-E277 PolarHBondContact OE1-N 3.02Å
226E97.7Very high97.9Very high91 Ų9158.3 Ų58.343%0.42527%0.272SS..Hα-helixtrans-66-52.2-179.5-70.9168.2-170.600112C222 G228 S229 E230 Y526C222-E226 VanDerWaalsContact O-CB 3.26Å; C222-E226 WeakPolarHBondContact O-CB 3.48Å; C222-E226 VanDerWaalsContact O-CG 3.26Å; C222-E226 WeakPolarHBondContact O-CG 3.43Å; C222-E226 PolarHBondContact O-N 2.93Å; E226-G228 VanDerWaalsContact C-N 3.32Å; E226-G228 PolarHBondContact O-N 3.26Å; E226-S229 WeakPolarHBondContact O-CB 3.38Å; E226-S229 PolarHBondContact O-N 2.78Å; E226-E230 PolarHBondContact O-N 3.26Å; E226-E230 VanDerWaalsContact O-N 3.17Å; E226-Y526 PolarHBondContact OE1-OH 3.44Å
227L98.3Very high97.8Very high14 Ų1457.9 Ų57.97%0.07327%0.27CS..Hα-helixtrans-67.2-37.1177.8-178.753.8000111S229 E230 L231 V301L227-S229 PolarHBondContact O-N 3.15Å; L227-E230 PolarHBondContact O-N 2.99Å; L227-L231 HydrophobicContact CD1-CD1 4.15Å; L227-L231 HydrophobicContact CD1-CG 4.02Å; L227-L231 HydrophobicContact CG-CD1 3.98Å; L227-L231 HydrophobicContact CG-CG 4.33Å; L227-L231 WeakPolarHBondContact O-CB 3.45Å; L227-L231 WeakPolarHBondContact O-CG 3.48Å; L227-L231 PolarHBondContact O-N 2.96Å; L227-V301 HydrophobicContact CB-CG1 4.24Å; L227-V301 HydrophobicContact CD2-CB 3.75Å; L227-V301 HydrophobicContact CD2-CG1 4.1Å; L227-V301 HydrophobicContact CD2-CG2 4.23Å; L227-V301 HydrophobicContact CG-CB 4.4Å; L227-V301 HydrophobicContact CG-CG1 4.19Å
228G98.1Very high97.7Very high0 Ų060.4 Ų60.40%029%0.288CS..Hα-helixtrans-60.6-42.3174.200000112.8I224 E225 E226 L231 K232I224-G228 WeakPolarHBondContact O-CA 3.45Å; I224-G228 PolarHBondContact O-N 3.4Å; E225-G228 PolarHBondContact O-N 2.95Å; E226-G228 VanDerWaalsContact C-N 3.32Å; E226-G228 PolarHBondContact O-N 3.26Å; G228-L231 PolarHBondContact O-N 3.45Å; G228-K232 VanDerWaalsContact O-CB 3.25Å; G228-K232 WeakPolarHBondContact O-CB 3.41Å; G228-K232 PolarHBondContact O-N 3.17Å
229S98.1Very high97.6Very high62 Ų6259.6 Ų59.643%0.43429%0.294SS..Hα-helixtrans-61-48.6176.4-173.70000111.4E225 E226 L227 L231 K232 E233E225-S229 VanDerWaalsContact O-CB 3.27Å; E225-S229 WeakPolarHBondContact O-CB 3.32Å; E225-S229 PolarHBondContact O-N 3.4Å; E226-S229 WeakPolarHBondContact O-CB 3.38Å; E226-S229 PolarHBondContact O-N 2.78Å; L227-S229 PolarHBondContact O-N 3.15Å; S229-L231 PolarHBondContact O-N 2.96Å; S229-K232 WeakPolarHBondContact O-CB 3.25Å; S229-K232 PolarHBondContact O-N 3.38Å; S229-E233 PolarHBondContact O-N 3.42Å
230E97.8Very high97.6Very high88 Ų8859.6 Ų59.641%0.41129%0.293SS..Hα-helixtrans-66.4-39.7178.4-75.5-159.1-135.700113.4E226 L227 K232 E233 H234 R506E226-E230 PolarHBondContact O-N 3.26Å; E226-E230 VanDerWaalsContact O-N 3.17Å; L227-E230 PolarHBondContact O-N 2.99Å; E230-K232 VanDerWaalsContact C-N 3.31Å; E230-E233 PolarHBondContact O-N 2.97Å; E230-H234 WeakPolarHBondContact O-CB 3.46Å; E230-H234 PolarHBondContact O-N 3.45Å; E230-R506 IonicContact OE1-CZ 3.11Å; E230-R506 IonicContact OE1-NH1 2.64Å; E230-R506 PolarHBondContact OE1-NH1 2.81Å; E230-R506 IonicContact OE2-CZ 4Å; E230-R506 IonicContact OE2-NH1 2.74Å; E230-R506 PolarHBondContact OE2-NH1 3.02Å; E230-R506 IonicContact OE2-NH2 3.9Å; E230-R506 PolarHBondContact OE2-NH2 3.36Å
231L97.8Very high97.6Very high7 Ų760.6 Ų60.64%0.03730%0.3CS..Hα-helixtrans-66.6-35.9175.7-69174.8000111.4L227 G228 S229 H234 Y235 I303 V323L227-L231 HydrophobicContact CD1-CD1 4.15Å; L227-L231 HydrophobicContact CD1-CG 4.02Å; L227-L231 HydrophobicContact CG-CD1 3.98Å; L227-L231 HydrophobicContact CG-CG 4.33Å; L227-L231 WeakPolarHBondContact O-CB 3.45Å; L227-L231 WeakPolarHBondContact O-CG 3.48Å; L227-L231 PolarHBondContact O-N 2.96Å; G228-L231 PolarHBondContact O-N 3.45Å; S229-L231 PolarHBondContact O-N 2.96Å; L231-H234 PolarHBondContact O-N 3.47Å; L231-Y235 HydrophobicContact CD2-CE2 4.11Å; L231-Y235 WeakPolarHBondContact O-CB 3.46Å; L231-Y235 VanDerWaalsContact O-CD2 3.31Å; L231-Y235 WeakPolarHBondContact O-CD2 3.5Å; L231-Y235 PolarHBondContact O-N 2.89Å; L231-I303 HydrophobicContact CB-CD1 3.44Å; L231-I303 VanDerWaalsContact CB-CD1 3.44Å; L231-I303 HydrophobicContact CB-CG1 4.43Å; L231-I303 HydrophobicContact CD1-CD1 4.2Å; L231-I303 HydrophobicContact CD1-CG1 4.34Å; L231-I303 HydrophobicContact CG-CD1 4.47Å; L231-V323 HydrophobicContact CD2-CB 3.76Å; L231-V323 HydrophobicContact CD2-CG2 3.54Å
232K97.8Very high97.6Very high64 Ų6462.7 Ų62.728%0.27831%0.314SS..Hα-helixtrans-59.4-47.5173.9-173.6-174178.3-178.60111G228 S229 E230 K236 I237 E238 F240G228-K232 VanDerWaalsContact O-CB 3.25Å; G228-K232 WeakPolarHBondContact O-CB 3.41Å; G228-K232 PolarHBondContact O-N 3.17Å; S229-K232 WeakPolarHBondContact O-CB 3.25Å; S229-K232 PolarHBondContact O-N 3.38Å; E230-K232 VanDerWaalsContact C-N 3.31Å; K232-K236 WeakPolarHBondContact O-CA 3.33Å; K232-K236 PolarHBondContact O-N 2.94Å; K232-I237 WeakPolarHBondContact CE-O 3.41Å; K232-I237 HydrophobicContact CG-CB 3.98Å; K232-I237 HydrophobicContact CG-CG2 4.42Å; K232-I237 WeakPolarHBondContact CG-O 3.2Å; K232-I237 PolarHBondContact O-N 2.88Å; K232-E238 WeakPolarHBondContact CE-O 3.16Å; K232-E238 PolarHBondContact NZ-O 3.07Å; K232-E238 VanDerWaalsContact NZ-O 3.17Å; K232-F240 HydrophobicContact CB-CE2 3.9Å; K232-F240 HydrophobicContact CB-CZ 3.74Å; K232-F240 HydrophobicContact CD-CD2 4.41Å; K232-F240 HydrophobicContact CD-CE2 3.94Å; K232-F240 HydrophobicContact CD-CZ 4.42Å; K232-F240 HydrophobicContact CG-CE2 4.14Å; K232-F240 HydrophobicContact CG-CZ 4.12Å
233E97.8Very high97.6Very high149 Ų14961.6 Ų61.670%0.69631%0.306SS*.Hα-helixtrans-64.3-47.2177.3-70.1-173.5170.900112S229 E230 Y235 K236S229-E233 PolarHBondContact O-N 3.42Å; E230-E233 PolarHBondContact O-N 2.97Å; E233-Y235 PolarHBondContact O-N 3.44Å; E233-K236 PolarHBondContact O-N 2.84Å
234H97.5Very high97.6Very high110 Ų11065 Ų6551%0.50933%0.326SS..Hα-helixtrans-60.2-46.7-179.4178.5-88.8000112.4E230 L231 K236E230-H234 WeakPolarHBondContact O-CB 3.46Å; E230-H234 PolarHBondContact O-N 3.45Å; L231-H234 PolarHBondContact O-N 3.47Å; H234-K236 VanDerWaalsContact C-N 3.33Å
235Y97.8Very high97.5Very high71 Ų7166.5 Ų66.528%0.27834%0.339SS..Hα-helixtrans-86.8-0.9-180-70.6-67.2000114.1L231 E233 I237 Y320 E321 V323L231-Y235 HydrophobicContact CD2-CE2 4.11Å; L231-Y235 WeakPolarHBondContact O-CB 3.46Å; L231-Y235 VanDerWaalsContact O-CD2 3.31Å; L231-Y235 WeakPolarHBondContact O-CD2 3.5Å; L231-Y235 PolarHBondContact O-N 2.89Å; E233-Y235 PolarHBondContact O-N 3.44Å; Y235-I237 VanDerWaalsContact C-N 3.27Å; Y235-I237 PolarHBondContact O-N 2.88Å; Y235-Y320 AromaticContact CD1-CD1 3.65Å; Y235-Y320 HydrophobicContact CD1-CD1 3.65Å; Y235-Y320 AromaticContact CD1-CE1 3.96Å; Y235-Y320 HydrophobicContact CD1-CE1 3.96Å; Y235-Y320 AromaticContact CD2-CD1 3.66Å; Y235-Y320 HydrophobicContact CD2-CD1 3.66Å; Y235-Y320 HydrophobicContact CD2-CE1 4.41Å; Y235-Y320 HydrophobicContact CD2-CG 4.39Å; Y235-Y320 AromaticContact CE1-CD1 3.93Å; Y235-Y320 HydrophobicContact CE1-CD1 3.93Å; Y235-Y320 AromaticContact CE2-CD1 3.93Å; Y235-Y320 HydrophobicContact CE2-CD1 3.93Å; Y235-Y320 HydrophobicContact CE2-CG 4.47Å; Y235-Y320 AromaticContact CG-CD1 3.5Å; Y235-Y320 HydrophobicContact CG-CD1 3.5Å; Y235-Y320 AromaticContact CG-CE1 3.86Å; Y235-Y320 HydrophobicContact CG-CE1 3.86Å; Y235-E321 WeakPolarHBondContact CE2-O 3.13Å; Y235-E321 WeakPolarHBondContact OH-CB 3.45Å; Y235-E321 PolarHBondContact OH-N 3.05Å; Y235-E321 PolarHBondContact OH-O 3.02Å; Y235-V323 HydrophobicContact CE2-CG2 3.88Å
236K97.8Very high97.4Very high185 Ų18568.9 Ų68.980%0.80436%0.357SS*.THydrogen-bonded Turntrans5443.2-178.1-54.9179-177.5178.40112.5K232 E233 H234K232-K236 WeakPolarHBondContact O-CA 3.33Å; K232-K236 PolarHBondContact O-N 2.94Å; E233-K236 PolarHBondContact O-N 2.84Å; H234-K236 VanDerWaalsContact C-N 3.33Å
237I97.4Very high97.3Very high18 Ų1865.7 Ų65.79%0.09235%0.346CS..  trans-76.8127.2177.4-65.1161.7000108.3K232 Y235 F240 T252 I303 Y320K232-I237 WeakPolarHBondContact CE-O 3.41Å; K232-I237 HydrophobicContact CG-CB 3.98Å; K232-I237 HydrophobicContact CG-CG2 4.42Å; K232-I237 WeakPolarHBondContact CG-O 3.2Å; K232-I237 PolarHBondContact O-N 2.88Å; Y235-I237 VanDerWaalsContact C-N 3.27Å; Y235-I237 PolarHBondContact O-N 2.88Å; I237-F240 HydrophobicContact CD1-CE1 4.26Å; I237-F240 HydrophobicContact CG2-CD1 4.37Å; I237-F240 HydrophobicContact CG2-CE1 4.13Å; I237-T252 HydrophobicContact CD1-CG2 4.06Å; I237-T252 HydrophobicContact CG1-CG2 4.48Å; I237-T252 HydrophobicContact CG2-CG2 3.91Å; I237-I303 HydrophobicContact CD1-CD1 3.74Å; I237-I303 HydrophobicContact CD1-CG2 3.9Å; I237-Y320 HydrophobicContact CD1-CE1 4.23Å
238E95.4Very high97.1Very high190 Ų19073.4 Ų73.489%0.88838%0.382SS*.  trans-66.7-51.5-176.5-64.7-174.5170.200112K232K232-E238 WeakPolarHBondContact CE-O 3.16Å; K232-E238 PolarHBondContact NZ-O 3.07Å; K232-E238 VanDerWaalsContact NZ-O 3.17Å
239A96Very high97Very high60 Ų6080.9 Ų80.950%0.49642%0.417SS..  trans-154.4150.3-17900000112.1
240F98Very high96.9Very high16 Ų1682 Ų827%0.0742%0.422CS..PPolyproline II helixtrans-87.3139.4167.1-62.8-56.4000110K232 I237 T252 L254 H278 I303K232-F240 HydrophobicContact CB-CE2 3.9Å; K232-F240 HydrophobicContact CB-CZ 3.74Å; K232-F240 HydrophobicContact CD-CD2 4.41Å; K232-F240 HydrophobicContact CD-CE2 3.94Å; K232-F240 HydrophobicContact CD-CZ 4.42Å; K232-F240 HydrophobicContact CG-CE2 4.14Å; K232-F240 HydrophobicContact CG-CZ 4.12Å; I237-F240 HydrophobicContact CD1-CE1 4.26Å; I237-F240 HydrophobicContact CG2-CD1 4.37Å; I237-F240 HydrophobicContact CG2-CE1 4.13Å; F240-T252 WeakPolarHBondContact CA-O 3.43Å; F240-T252 HydrophobicContact CD1-CG2 4.16Å; F240-T252 HydrophobicContact CE1-CG2 4.2Å; F240-L254 HydrophobicContact CB-CB 4.5Å; F240-L254 HydrophobicContact CD1-CB 3.88Å; F240-L254 HydrophobicContact CD2-CB 3.99Å; F240-L254 HydrophobicContact CD2-CD2 4Å; F240-L254 HydrophobicContact CE1-CB 4.03Å; F240-L254 HydrophobicContact CE2-CB 4.13Å; F240-L254 HydrophobicContact CE2-CD2 3.84Å; F240-L254 HydrophobicContact CE2-CG 4.47Å; F240-L254 HydrophobicContact CG-CB 3.87Å; F240-L254 HydrophobicContact CZ-CB 4.14Å; F240-L254 HydrophobicContact CZ-CD2 4.41Å; F240-H278 AromaticContact CD2-NE2 3.96Å; F240-I303 HydrophobicContact CE1-CD1 3.71Å; F240-I303 HydrophobicContact CE1-CG1 3.98Å; F240-I303 HydrophobicContact CE1-CG2 4.04Å; F240-I303 HydrophobicContact CZ-CD1 3.65Å; F240-I303 HydrophobicContact CZ-CG1 4.18Å
241T97.8Very high96.9Very high39 Ų3978.3 Ų78.324%0.23941%0.406CS..PPolyproline II helixtrans-90.1139.9174.1-54.70000109.6A245 V251 T252 L253T241-A245 HydrophobicContact CG2-CB 4.09Å; T241-V251 HydrophobicContact CG2-CB 4.23Å; T241-V251 HydrophobicContact CG2-CG1 3.92Å; T241-T252 PolarHBondContact N-O 2.84Å; T241-L253 HydrophobicContact CG2-CD2 4.44Å; T241-L253 WeakPolarHBondContact O-CD2 3.06Å
242P97.8Very high96.9Very high57 Ų5779.1 Ų79.137%0.3741%0.411SS..PPolyproline II helixtrans-59.1138173-24.834.4000111.8L244 A245 H278P242-L244 PolarHBondContact O-N 3.37Å; P242-L244 VanDerWaalsContact O-N 3.15Å; P242-A245 HydrophobicContact CB-CB 4.09Å; P242-A245 HydrophobicContact CG-CB 4.42Å; P242-A245 WeakPolarHBondContact O-CB 3.48Å; P242-A245 PolarHBondContact O-N 3.1Å; P242-H278 WeakPolarHBondContact CB-O 3.37Å; P242-H278 WeakPolarHBondContact CG-O 3.29Å
243L97.1Very high97Very high0 Ų076 Ų760%040%0.398CS..THydrogen-bonded Turntrans-57.3-35-175.5-65.8-171000114L253 L272 G274 S279 A282 I284 N308L243-L253 HydrophobicContact CD2-CB 3.72Å; L243-L253 HydrophobicContact CD2-CD1 3.67Å; L243-L253 HydrophobicContact CD2-CD2 4.12Å; L243-L253 HydrophobicContact CD2-CG 4.03Å; L243-L272 HydrophobicContact CD1-CG 4.42Å; L243-L272 WeakPolarHBondContact CD1-O 3.44Å; L243-L272 HydrophobicContact CD2-CD2 3.75Å; L243-L272 HydrophobicContact CD2-CG 4.36Å; L243-G274 VanDerWaalsContact CD1-CA 3.4Å; L243-S279 WeakPolarHBondContact CG-OG 3.24Å; L243-S279 PolarHBondContact N-OG 3.42Å; L243-A282 WeakPolarHBondContact CD1-O 3.41Å; L243-I284 HydrophobicContact CB-CD1 4.12Å; L243-I284 HydrophobicContact CB-CG1 4.34Å; L243-I284 HydrophobicContact CB-CG2 4.28Å; L243-I284 HydrophobicContact CD1-CG1 4.32Å; L243-I284 HydrophobicContact CD2-CD1 4.11Å; L243-I284 HydrophobicContact CD2-CG1 4.47Å; L243-N308 PolarHBondContact O-ND2 2.89Å
244L96.9Very high97Very high104 Ų10469.1 Ų69.155%0.54537%0.366SS..THydrogen-bonded Turntrans-86.3-6.7-178.4-61.1-178.4000113.6P242 P246 A282 I284P242-L244 PolarHBondContact O-N 3.37Å; P242-L244 VanDerWaalsContact O-N 3.15Å; L244-P246 VanDerWaalsContact O-CD 3.23Å; L244-P246 WeakPolarHBondContact O-CD 3.41Å; L244-A282 HydrophobicContact CD1-CB 3.7Å; L244-A282 HydrophobicContact CD2-CB 4.13Å; L244-A282 HydrophobicContact CG-CB 3.65Å; L244-I284 HydrophobicContact CD2-CG2 3.94Å
245A96.1Very high97Very high35 Ų3563.9 Ų63.929%0.28934%0.341SS..  trans-77.6115.8179.900000110T241 P242T241-A245 HydrophobicContact CG2-CB 4.09Å; P242-A245 HydrophobicContact CB-CB 4.09Å; P242-A245 HydrophobicContact CG-CB 4.42Å; P242-A245 WeakPolarHBondContact O-CB 3.48Å; P242-A245 PolarHBondContact O-N 3.1Å
246P96.6Very high97.1Very high86 Ų8660.7 Ų60.756%0.55833%0.329SS*.  trans-72.5137.5178.5-14.230.3000111.1L244 N308 T309L244-P246 VanDerWaalsContact O-CD 3.23Å; L244-P246 WeakPolarHBondContact O-CD 3.41Å; P246-N308 CarbonylContact C-O 3.58Å; P246-N308 WeakPolarHBondContact CA-O 3.33Å; P246-T309 WeakPolarHBondContact CB-O 3.42Å
247A94.9Very high97.1Very high25 Ų2552 Ų5221%0.20729%0.291CS..EExtended strand (participates in β ladder)trans-142.7139.217600000111.1V251 N308 T309A247-V251 HydrophobicContact CB-CG1 3.37Å; A247-N308 PolarHBondContact N-O 2.73Å; A247-N308 CarbonylContact O-C 3.56Å; A247-N308 VanDerWaalsContact O-C 3.3Å; A247-T309 VanDerWaalsContact O-CA 3.28Å; A247-T309 WeakPolarHBondContact O-CA 3.4Å; A247-T309 PolarHBondContact O-N 3.11Å
248Q94Very high97.1Very high175 Ų17551.8 Ų51.882%0.81829%0.294SS*.EExtended strand (participates in β ladder)trans-81.8-28.4173-69.9-172.1-19.900112.3
249E95.9Very high97.2Very high158 Ų15844.3 Ų44.374%0.73826%0.262SS*.EExtended strand (participates in β ladder)trans-83.7157.6175.6-62.3-175.717500110.7V251E249-V251 PolarHBondContact O-N 3.36Å
250P96.8Very high97.1Very high84 Ų8446.4 Ų46.455%0.54527%0.265SS..EExtended strand (participates in β ladder)trans-57.4130.6172.6-23.934.6000111.6E305 G306P250-E305 HydrophobicContact CB-CG 4.41Å; P250-G306 CarbonylContact C-O 3.51Å; P250-G306 WeakPolarHBondContact CA-O 3.39Å
251V97.8Very high96.9Very high11 Ų1148.3 Ų48.37%0.06728%0.281CS..EExtended strand (participates in β ladder)trans-114.2149.2178.4-69.40000110.4T241 A247 E249 L253 E305 G306 N308 L314T241-V251 HydrophobicContact CG2-CB 4.23Å; T241-V251 HydrophobicContact CG2-CG1 3.92Å; A247-V251 HydrophobicContact CB-CG1 3.37Å; E249-V251 PolarHBondContact O-N 3.36Å; V251-L253 HydrophobicContact CB-CD2 4.24Å; V251-L253 HydrophobicContact CG2-CD1 4.26Å; V251-L253 HydrophobicContact CG2-CD2 3.9Å; V251-L253 HydrophobicContact CG2-CG 4.06Å; V251-E305 VanDerWaalsContact O-CA 3.28Å; V251-E305 WeakPolarHBondContact O-CA 3.35Å; V251-G306 WeakPolarHBondContact CG2-O 3.41Å; V251-G306 PolarHBondContact N-O 2.81Å; V251-G306 PolarHBondContact O-N 3.01Å; V251-G306 VanDerWaalsContact O-N 3.08Å; V251-N308 HydrophobicContact CG2-CB 4.39Å; V251-L314 HydrophobicContact CG2-CD1 4.49Å
252T98.3Very high96.5Very high24 Ų2455.3 Ų55.315%0.14732%0.316CS..EExtended strand (participates in β ladder)trans-103.2121.4173.9-55.10000109.2I237 F240 T241 I303 Y320I237-T252 HydrophobicContact CD1-CG2 4.06Å; I237-T252 HydrophobicContact CG1-CG2 4.48Å; I237-T252 HydrophobicContact CG2-CG2 3.91Å; F240-T252 WeakPolarHBondContact CA-O 3.43Å; F240-T252 HydrophobicContact CD1-CG2 4.16Å; F240-T252 HydrophobicContact CE1-CG2 4.2Å; T241-T252 PolarHBondContact N-O 2.84Å; T252-I303 HydrophobicContact CG2-CG2 3.38Å; T252-Y320 HydrophobicContact CG2-CE2 4.37Å
253L98.4Very high96.1Very high0 Ų054.5 Ų54.50%032%0.319CS..EExtended strand (participates in β ladder)trans-118138-173.5-55.3-175.6000110.1T241 L243 V251 L272 I284 I303 M304 L314T241-L253 HydrophobicContact CG2-CD2 4.44Å; T241-L253 WeakPolarHBondContact O-CD2 3.06Å; L243-L253 HydrophobicContact CD2-CB 3.72Å; L243-L253 HydrophobicContact CD2-CD1 3.67Å; L243-L253 HydrophobicContact CD2-CD2 4.12Å; L243-L253 HydrophobicContact CD2-CG 4.03Å; V251-L253 HydrophobicContact CB-CD2 4.24Å; V251-L253 HydrophobicContact CG2-CD1 4.26Å; V251-L253 HydrophobicContact CG2-CD2 3.9Å; V251-L253 HydrophobicContact CG2-CG 4.06Å; L253-L272 HydrophobicContact CB-CD2 4.01Å; L253-I284 HydrophobicContact CD1-CD1 3.99Å; L253-I303 WeakPolarHBondContact O-CA 3.31Å; L253-M304 PolarHBondContact N-O 2.89Å; L253-M304 PolarHBondContact O-N 2.73Å; L253-L314 HydrophobicContact CD1-CB 4.38Å; L253-L314 HydrophobicContact CD1-CD1 3.67Å; L253-L314 HydrophobicContact CD1-CD2 3.88Å; L253-L314 HydrophobicContact CD1-CG 4.17Å
254L98.7Very high95.9Very high3 Ų360.4 Ų60.42%0.01635%0.345CS..EExtended strand (participates in β ladder)trans-102.3140.5171.3172.764.5000108.9I224 F240 D275 V301 I303I224-L254 HydrophobicContact CG2-CD1 4.04Å; I224-L254 HydrophobicContact CG2-CD2 4.12Å; I224-L254 HydrophobicContact CG2-CG 3.81Å; F240-L254 HydrophobicContact CB-CB 4.5Å; F240-L254 HydrophobicContact CD1-CB 3.88Å; F240-L254 HydrophobicContact CD2-CB 3.99Å; F240-L254 HydrophobicContact CD2-CD2 4Å; F240-L254 HydrophobicContact CE1-CB 4.03Å; F240-L254 HydrophobicContact CE2-CB 4.13Å; F240-L254 HydrophobicContact CE2-CD2 3.84Å; F240-L254 HydrophobicContact CE2-CG 4.47Å; F240-L254 HydrophobicContact CG-CB 3.87Å; F240-L254 HydrophobicContact CZ-CB 4.14Å; F240-L254 HydrophobicContact CZ-CD2 4.41Å; L254-D275 HydrophobicContact CD2-CB 4.45Å; L254-V301 HydrophobicContact CD1-CG1 4.14Å; L254-I303 HydrophobicContact CD1-CG1 4.13Å
255G98.4Very high95.8Very high0 Ų055.6 Ų55.60%032%0.319CS..EExtended strand (participates in β ladder)trans178.5-175.7169.500000114E273 V301 V302G255-E273 CarbonylContact C-O 3.52Å; G255-E273 WeakPolarHBondContact CA-O 3.38Å; G255-V301 WeakPolarHBondContact O-CA 3.14Å; G255-V302 PolarHBondContact N-O 2.79Å; G255-V302 VanDerWaalsContact N-O 3.16Å; G255-V302 PolarHBondContact O-N 3.32Å
256Q98.4Very high95.7Very high4 Ų457.1 Ų57.12%0.01932%0.323CS..EExtended strand (participates in β ladder)trans-107.5136.4174.7-178.4168.688.400110.4I224 E273 G299 Q300I224-Q256 HydrophobicContact CD1-CB 3.68Å; I224-Q256 HydrophobicContact CG1-CB 3.96Å; Q256-E273 PolarHBondContact N-O 2.92Å; Q256-E273 PolarHBondContact O-N 3.07Å; Q256-G299 PolarHBondContact NE2-O 2.84Å; Q256-G299 VanDerWaalsContact NE2-O 3.12Å; Q256-Q300 CarbonylContact C-O 3.38Å; Q256-Q300 VanDerWaalsContact CA-O 3.32Å; Q256-Q300 WeakPolarHBondContact CA-O 3.21Å
257I98.6Very high95.7Very high2 Ų257.2 Ų57.21%0.0132%0.318CS..EExtended strand (participates in β ladder)trans-69.8132.9174.1-62.1-60.5000110.1L265 V270 I271 L272 L296 F297 P298 G299 Q300 V302 M304I257-L265 HydrophobicContact CG2-CD2 4.14Å; I257-V270 HydrophobicContact CD1-CG1 4.07Å; I257-V270 HydrophobicContact CG2-CG1 4.22Å; I257-I271 WeakPolarHBondContact CA-O 3.38Å; I257-L272 HydrophobicContact CD1-CD1 4.31Å; I257-L296 HydrophobicContact CD1-CD1 4.44Å; I257-L296 HydrophobicContact CD1-CD2 4.15Å; I257-L296 HydrophobicContact CG1-CD2 4.12Å; I257-F297 WeakPolarHBondContact CB-O 3.26Å; I257-F297 WeakPolarHBondContact CG2-O 3.31Å; I257-P298 CarbonylContact O-C 3.46Å; I257-G299 PolarHBondContact O-N 3.39Å; I257-Q300 HydrophobicContact CB-CB 4.28Å; I257-Q300 HydrophobicContact CG1-CB 4.14Å; I257-Q300 PolarHBondContact N-O 3.19Å; I257-V302 HydrophobicContact CD1-CG1 4.4Å; I257-V302 HydrophobicContact CD1-CG2 3.72Å; I257-V302 HydrophobicContact CG1-CG1 3.95Å; I257-V302 HydrophobicContact CG1-CG2 3.96Å; I257-M304 HydrophobicContact CD1-CE 3.7Å
258G97.7Very high95.7Very high15 Ų1564.4 Ų64.416%0.15535%0.345CS..EExtended strand (participates in β ladder)trans-130175.9170.500000112.2L265 I271G258-L265 WeakPolarHBondContact O-CD1 3.33Å; G258-I271 PolarHBondContact N-O 2.92Å; G258-I271 WeakPolarHBondContact O-CG1 3.36Å; G258-I271 PolarHBondContact O-N 2.8Å; G258-I271 VanDerWaalsContact O-N 3.11Å
259C96.8Very high95.8Very high32 Ų3256.2 Ų56.222%0.21631%0.307CS..EExtended strand (participates in β ladder)trans-108.8137.8169-166.70000108.9S261 G263 L265C259-S261 WeakPolarHBondContact CB-O 3.42Å; C259-S261 PolarHBondContact O-N 2.93Å; C259-S261 PolarHBondContact SG-O 2.54Å; C259-S261 VanDerWaalsContact SG-O 3.34Å; C259-G263 PolarHBondContact SG-O 3.22Å; C259-L265 HydrophobicContact CB-CD1 3.93Å
260D94.3Very high95.9Very high104 Ų10448.8 Ų48.856%0.55627%0.272SS*.SBendtrans-72.5-1.2174.666.84.7000114.2S269 I271D260-S269 PolarHBondContact N-O 3Å; D260-S269 VanDerWaalsContact N-O 3.09Å; D260-S269 WeakPolarHBondContact OD1-CB 3.2Å; D260-I271 HydrophobicContact CB-CG2 3.91Å
261S93.3Very high96Very high57 Ų5745.7 Ų45.740%0.39925%0.251SS..SBendtrans-142.8168.1-178.867.70000111.4C259 G263C259-S261 WeakPolarHBondContact CB-O 3.42Å; C259-S261 PolarHBondContact O-N 2.93Å; C259-S261 PolarHBondContact SG-O 2.54Å; C259-S261 VanDerWaalsContact SG-O 3.34Å; S261-G263 PolarHBondContact O-N 3.13Å; S261-G263 PolarHBondContact OG-N 3.47Å
262N89.8Confident96Very high185 Ų18545.1 Ų45.199%0.98925%0.248SC*.SBendtrans-78.52.5173.9-61.7-26.6000113.1
263G89.7Confident96.1Very high41 Ų4146.5 Ų46.542%0.42325%0.253SS..SBendtrans-88.7178.2177.900000112.2C259 S261 L265C259-G263 PolarHBondContact SG-O 3.22Å; S261-G263 PolarHBondContact O-N 3.13Å; S261-G263 PolarHBondContact OG-N 3.47Å; G263-L265 PolarHBondContact O-N 2.94Å
264K91.7Very high96Very high124 Ų12446.7 Ų46.754%0.53925%0.254SS..  trans-59.7135.1176.1178168.4172.9152.50111.8N266 A482K264-N266 PolarHBondContact O-N 3.01Å; K264-A482 WeakPolarHBondContact CE-O 3.26Å; K264-A482 PolarHBondContact NZ-O 3.33Å
265L95.2Very high95.9Very high3 Ų346.6 Ų46.62%0.01625%0.254CS..  trans-56.5135.1175.5-170.868.5000111.1I257 G258 C259 G263 V270 P298 I485I257-L265 HydrophobicContact CG2-CD2 4.14Å; G258-L265 WeakPolarHBondContact O-CD1 3.33Å; C259-L265 HydrophobicContact CB-CD1 3.93Å; G263-L265 PolarHBondContact O-N 2.94Å; L265-V270 HydrophobicContact CD1-CG2 4.1Å; L265-V270 HydrophobicContact CG-CG2 4.5Å; L265-P298 HydrophobicContact CB-CG 4.11Å; L265-P298 HydrophobicContact CD2-CG 4.06Å; L265-I485 HydrophobicContact CB-CG2 4.32Å; L265-I485 HydrophobicContact CD2-CD1 4.12Å; L265-I485 HydrophobicContact CD2-CG1 4.03Å; L265-I485 HydrophobicContact CD2-CG2 4.46Å; L265-I485 HydrophobicContact CG-CD1 4.19Å; L265-I485 HydrophobicContact CG-CG1 4.43Å; L265-I485 HydrophobicContact CG-CG2 4.23Å; L265-I485 WeakPolarHBondContact O-CG2 3.15Å
266N95.3Very high95.8Very high67 Ų6750.4 Ų50.436%0.35827%0.268SS..  trans-136.9172.4173.266.772.1000110.2K264 K268 S269 V270K264-N266 PolarHBondContact O-N 3.01Å; N266-K268 PolarHBondContact O-N 3.49Å; N266-K268 VanDerWaalsContact O-N 3.11Å; N266-K268 WeakPolarHBondContact OD1-CA 3.38Å; N266-K268 WeakPolarHBondContact OD1-CB 3.47Å; N266-K268 PolarHBondContact OD1-N 3.37Å; N266-S269 VanDerWaalsContact CG-OG 3.3Å; N266-S269 PolarHBondContact N-OG 2.82Å; N266-S269 PolarHBondContact ND2-OG 3.29Å; N266-S269 PolarHBondContact O-N 3.19Å; N266-S269 PolarHBondContact O-OG 3.41Å; N266-S269 PolarHBondContact OD1-N 2.94Å; N266-S269 VanDerWaalsContact OD1-N 3.14Å; N266-S269 PolarHBondContact OD1-OG 2.86Å; N266-V270 VanDerWaalsContact O-CG2 3.24Å; N266-V270 WeakPolarHBondContact O-CG2 3.49Å
267N94.9Very high95.6Very high87 Ų8757 Ų5747%0.46530%0.299SS..THydrogen-bonded Turntrans-66.4-11.9-174.865.4-21.9000115.3L288 Y294N267-L288 HydrophobicContact CB-CD1 4.38Å; N267-Y294 WeakPolarHBondContact CB-OH 3.45Å
268K95.6Very high95.4Very high176 Ų17659.4 Ų59.477%0.76531%0.31SS*.THydrogen-bonded Turntrans-104.6-18.7178.3-64.1-179.3-179.5179.30113.4N266N266-K268 PolarHBondContact O-N 3.49Å; N266-K268 VanDerWaalsContact O-N 3.11Å; N266-K268 WeakPolarHBondContact OD1-CA 3.38Å; N266-K268 WeakPolarHBondContact OD1-CB 3.47Å; N266-K268 PolarHBondContact OD1-N 3.37Å
269S96.5Very high95.4Very high4 Ų459.1 Ų59.13%0.02831%0.306CS..SBendtrans-96.67.7-177640000113.8D260 N266 I271D260-S269 PolarHBondContact N-O 3Å; D260-S269 VanDerWaalsContact N-O 3.09Å; D260-S269 WeakPolarHBondContact OD1-CB 3.2Å; N266-S269 VanDerWaalsContact CG-OG 3.3Å; N266-S269 PolarHBondContact N-OG 2.82Å; N266-S269 PolarHBondContact ND2-OG 3.29Å; N266-S269 PolarHBondContact O-N 3.19Å; N266-S269 PolarHBondContact O-OG 3.41Å; N266-S269 PolarHBondContact OD1-N 2.94Å; N266-S269 VanDerWaalsContact OD1-N 3.14Å; N266-S269 PolarHBondContact OD1-OG 2.86Å; S269-I271 PolarHBondContact O-N 2.86Å
270V98.3Very high95.3Very high1 Ų162.4 Ų62.41%0.00633%0.329CS..EExtended strand (participates in β ladder)trans-72.2124-178.4-175.80000110.2I257 L265 N266 V286 L288 L296 I485I257-V270 HydrophobicContact CD1-CG1 4.07Å; I257-V270 HydrophobicContact CG2-CG1 4.22Å; L265-V270 HydrophobicContact CD1-CG2 4.1Å; L265-V270 HydrophobicContact CG-CG2 4.5Å; N266-V270 VanDerWaalsContact O-CG2 3.24Å; N266-V270 WeakPolarHBondContact O-CG2 3.49Å; V270-V286 HydrophobicContact CB-CB 4.43Å; V270-V286 HydrophobicContact CG1-CB 4.05Å; V270-V286 HydrophobicContact CG1-CG2 4.34Å; V270-V286 PolarHBondContact O-N 2.95Å; V270-L288 HydrophobicContact CB-CD1 4.49Å; V270-L288 HydrophobicContact CG2-CD1 3.81Å; V270-L296 HydrophobicContact CG1-CD1 4.29Å; V270-I485 HydrophobicContact CG2-CD1 3.65Å
271I98.4Very high95.4Very high19 Ų1959 Ų5910%0.09732%0.318CS..EExtended strand (participates in β ladder)trans-115.9153.6168.361.9164.3000110.1I257 G258 D260 S269 I284I257-I271 WeakPolarHBondContact CA-O 3.38Å; G258-I271 PolarHBondContact N-O 2.92Å; G258-I271 WeakPolarHBondContact O-CG1 3.36Å; G258-I271 PolarHBondContact O-N 2.8Å; G258-I271 VanDerWaalsContact O-N 3.11Å; D260-I271 HydrophobicContact CB-CG2 3.91Å; S269-I271 PolarHBondContact O-N 2.86Å; I271-I284 WeakPolarHBondContact CA-O 3.34Å
272L98.6Very high95.6Very high0 Ų057.1 Ų57.10%031%0.306CS..EExtended strand (participates in β ladder)trans-111.1115.7169.3-173.267.3000108L243 L253 I257 Q283 I284 V286 V302L243-L272 HydrophobicContact CD1-CG 4.42Å; L243-L272 WeakPolarHBondContact CD1-O 3.44Å; L243-L272 HydrophobicContact CD2-CD2 3.75Å; L243-L272 HydrophobicContact CD2-CG 4.36Å; L253-L272 HydrophobicContact CB-CD2 4.01Å; I257-L272 HydrophobicContact CD1-CD1 4.31Å; L272-Q283 WeakPolarHBondContact O-CA 3.26Å; L272-I284 HydrophobicContact CB-CG1 4.47Å; L272-I284 PolarHBondContact N-O 2.97Å; L272-I284 PolarHBondContact O-N 2.78Å; L272-V286 HydrophobicContact CB-CG2 3.63Å; L272-V302 HydrophobicContact CD1-CG2 3.6Å
273E98.5Very high96Very high53 Ų5353.4 Ų53.425%0.24828%0.283CS..EExtended strand (participates in β ladder)trans-91.6120.6170.5179.9171.1-120.100109.3G255 Q256 Q283G255-E273 CarbonylContact C-O 3.52Å; G255-E273 WeakPolarHBondContact CA-O 3.38Å; Q256-E273 PolarHBondContact N-O 2.92Å; Q256-E273 PolarHBondContact O-N 3.07Å; E273-Q283 HydrophobicContact CB-CG 3.96Å; E273-Q283 HydrophobicContact CG-CG 3.95Å; E273-Q283 PolarHBondContact OE1-NE2 3.15Å
274G97.9Very high96.4Very high3 Ų351.6 Ų51.63%0.03126%0.264CS..PPolyproline II helixtrans-78.5159.8-178.300000111.6L243 G281 A282L243-G274 VanDerWaalsContact CD1-CA 3.4Å; G274-G281 WeakPolarHBondContact O-CA 3.47Å; G274-A282 PolarHBondContact N-O 3.01Å
275D96.6Very high96.7Very high2 Ų248.8 Ų48.81%0.01126%0.258CS..PPolyproline II helixtrans-65.8171.8169.367.9-64.1000112.1I224 E225 L254 E277 H278 S279 S280 G281I224-D275 HydrophobicContact CB-CB 4.28Å; I224-D275 HydrophobicContact CG2-CB 3.77Å; E225-D275 HydrophobicContact CG-CB 3.81Å; L254-D275 HydrophobicContact CD2-CB 4.45Å; D275-E277 WeakPolarHBondContact OD2-CB 3.37Å; D275-E277 PolarHBondContact OD2-N 2.98Å; D275-E277 VanDerWaalsContact OD2-N 3.15Å; D275-H278 WeakPolarHBondContact OD1-CB 3.36Å; D275-H278 IonicContact OD1-CG 3.46Å; D275-H278 IonicContact OD1-ND1 2.67Å; D275-H278 IonicContact OD2-CE1 3.78Å; D275-H278 IonicContact OD2-CG 3.46Å; D275-H278 PolarHBondContact OD2-N 2.89Å; D275-H278 IonicContact OD2-ND1 2.69Å; D275-H278 PolarHBondContact OD2-ND1 3.34Å; D275-S279 CarbonylContact O-C 3.59Å; D275-S279 PolarHBondContact O-N 2.63Å; D275-S280 PolarHBondContact O-N 3.2Å; D275-S280 VanDerWaalsContact O-N 3.13Å; D275-G281 PolarHBondContact O-N 3.09Å
276R95.3Very high96.8Very high79 Ų7948.9 Ų48.930%0.29826%0.259SS..Hα-helixtrans-78.2-44.5-179.5-177.3-179.161.6-1530.8111.3E218 T221 E225 H278 S280E218-R276 VanDerWaalsContact CD-NH1 3.35Å; E218-R276 IonicContact OE1-CZ 3.59Å; E218-R276 IonicContact OE1-NH1 3.58Å; E218-R276 PolarHBondContact OE1-NH1 2.77Å; E218-R276 IonicContact OE1-NH2 3.98Å; E218-R276 PolarHBondContact OE1-NH2 3.4Å; E218-R276 IonicContact OE2-CZ 2.72Å; E218-R276 IonicContact OE2-NH1 2.82Å; E218-R276 PolarHBondContact OE2-NH1 2.89Å; E218-R276 IonicContact OE2-NH2 3.53Å; T221-R276 HydrophobicContact CG2-CB 3.49Å; T221-R276 VanDerWaalsContact CG2-CB 3.49Å; E225-R276 PolarHBondContact OE1-N 2.81Å; R276-H278 PolarHBondContact O-N 3.41Å; R276-S280 VanDerWaalsContact O-CA 3.32Å; R276-S280 WeakPolarHBondContact O-CA 3.44Å; R276-S280 PolarHBondContact O-N 2.75Å
277E94.7Very high97Very high142 Ų14247.5 Ų47.566%0.66425%0.252SS*.Hα-helixtrans-57.1-47.6-175.8-178178.5-164.900112.7E225 D275E225-E277 WeakPolarHBondContact OE1-CB 3.4Å; E225-E277 PolarHBondContact OE1-N 3.02Å; D275-E277 WeakPolarHBondContact OD2-CB 3.37Å; D275-E277 PolarHBondContact OD2-N 2.98Å; D275-E277 VanDerWaalsContact OD2-N 3.15Å
278H94.9Very high97.1Very high53 Ų5343.8 Ų43.825%0.24523%0.232CC..Hα-helixtrans-96.2-35.3-174-54.178.5000112.7F240 P242 D275 R276F240-H278 AromaticContact CD2-NE2 3.96Å; P242-H278 WeakPolarHBondContact CB-O 3.37Å; P242-H278 WeakPolarHBondContact CG-O 3.29Å; D275-H278 WeakPolarHBondContact OD1-CB 3.36Å; D275-H278 IonicContact OD1-CG 3.46Å; D275-H278 IonicContact OD1-ND1 2.67Å; D275-H278 IonicContact OD2-CE1 3.78Å; D275-H278 IonicContact OD2-CG 3.46Å; D275-H278 PolarHBondContact OD2-N 2.89Å; D275-H278 IonicContact OD2-ND1 2.69Å; D275-H278 PolarHBondContact OD2-ND1 3.34Å; R276-H278 PolarHBondContact O-N 3.41Å
279S96.3Very high97.1Very high10 Ų1040 Ų407%0.0723%0.227CC..Hα-helixtrans-124.63.7-167.9-61.20000114.6L243 D275 G281 A282L243-S279 WeakPolarHBondContact CG-OG 3.24Å; L243-S279 PolarHBondContact N-OG 3.42Å; D275-S279 CarbonylContact O-C 3.59Å; D275-S279 PolarHBondContact O-N 2.63Å; S279-G281 PolarHBondContact O-N 3.15Å; S279-G281 VanDerWaalsContact O-N 3.11Å; S279-A282 VanDerWaalsContact O-CB 3.25Å; S279-A282 WeakPolarHBondContact O-CB 3.18Å; S279-A282 PolarHBondContact O-N 2.73Å
280S96.4Very high97Very high100 Ų10046 Ų4670%0.69925%0.254SS*.THydrogen-bonded Turntrans53.827.2-179.6-60.70000114.3D275 R276 A282D275-S280 PolarHBondContact O-N 3.2Å; D275-S280 VanDerWaalsContact O-N 3.13Å; R276-S280 VanDerWaalsContact O-CA 3.32Å; R276-S280 WeakPolarHBondContact O-CA 3.44Å; R276-S280 PolarHBondContact O-N 2.75Å; S280-A282 VanDerWaalsContact C-N 3.33Å
281G94.8Very high96.8Very high32 Ų3246.6 Ų46.633%0.3326%0.258SS..THydrogen-bonded Turntrans73.120.3-176.600000114.6G274 D275 S279G274-G281 WeakPolarHBondContact O-CA 3.47Å; D275-G281 PolarHBondContact O-N 3.09Å; S279-G281 PolarHBondContact O-N 3.15Å; S279-G281 VanDerWaalsContact O-N 3.11Å
282A97.6Very high96.4Very high18 Ų1854.6 Ų54.615%0.14929%0.292CS..  trans-66.2158175.600000111.6L243 L244 G274 S279 S280L243-A282 WeakPolarHBondContact CD1-O 3.41Å; L244-A282 HydrophobicContact CD1-CB 3.7Å; L244-A282 HydrophobicContact CD2-CB 4.13Å; L244-A282 HydrophobicContact CG-CB 3.65Å; G274-A282 PolarHBondContact N-O 3.01Å; S279-A282 VanDerWaalsContact O-CB 3.25Å; S279-A282 WeakPolarHBondContact O-CB 3.18Å; S279-A282 PolarHBondContact O-N 2.73Å; S280-A282 VanDerWaalsContact C-N 3.33Å
283Q97.8Very high96.1Very high108 Ų10859.8 Ų59.851%0.50532%0.316SS..EExtended strand (participates in β ladder)trans-126.9138.2179.6-62.6174.31.300110L272 E273L272-Q283 WeakPolarHBondContact O-CA 3.26Å; E273-Q283 HydrophobicContact CB-CG 3.96Å; E273-Q283 HydrophobicContact CG-CG 3.95Å; E273-Q283 PolarHBondContact OE1-NE2 3.15Å
284I98.1Very high95.9Very high2 Ų258.6 Ų58.61%0.0131%0.31CS..EExtended strand (participates in β ladder)trans-134.4142171.862.9175.5000110.6L243 L244 L253 I271 L272 L314L243-I284 HydrophobicContact CB-CD1 4.12Å; L243-I284 HydrophobicContact CB-CG1 4.34Å; L243-I284 HydrophobicContact CB-CG2 4.28Å; L243-I284 HydrophobicContact CD1-CG1 4.32Å; L243-I284 HydrophobicContact CD2-CD1 4.11Å; L243-I284 HydrophobicContact CD2-CG1 4.47Å; L244-I284 HydrophobicContact CD2-CG2 3.94Å; L253-I284 HydrophobicContact CD1-CD1 3.99Å; I271-I284 WeakPolarHBondContact CA-O 3.34Å; L272-I284 HydrophobicContact CB-CG1 4.47Å; L272-I284 PolarHBondContact N-O 2.97Å; L272-I284 PolarHBondContact O-N 2.78Å; I284-L314 HydrophobicContact CD1-CB 3.92Å
285P98.4Very high95.9Very high65 Ų6559.3 Ų59.342%0.42231%0.314SS..EExtended strand (participates in β ladder)trans-60.5147.5167.6-2534.4000112.7R312 K313 L314P285-R312 WeakPolarHBondContact CD-O 3.24Å; P285-K313 HydrophobicContact CB-CG 4.39Å; P285-K313 WeakPolarHBondContact O-CA 3.3Å; P285-L314 PolarHBondContact O-N 3.27Å
286V98.5Very high96Very high5 Ų559.2 Ų59.23%0.0331%0.314CS..EExtended strand (participates in β ladder)trans-114122.2176.7-173.90000109.7V270 L272 L288 M304 L314 A316V270-V286 HydrophobicContact CB-CB 4.43Å; V270-V286 HydrophobicContact CG1-CB 4.05Å; V270-V286 HydrophobicContact CG1-CG2 4.34Å; V270-V286 PolarHBondContact O-N 2.95Å; L272-V286 HydrophobicContact CB-CG2 3.63Å; V286-L288 HydrophobicContact CG1-CD2 3.68Å; V286-M304 HydrophobicContact CG1-CE 4.4Å; V286-M304 HydrophobicContact CG1-SD 3.82Å; V286-M304 HydrophobicContact CG2-SD 4.25Å; V286-L314 HydrophobicContact CG1-CD2 4.45Å; V286-A316 HydrophobicContact CG1-CB 3.84Å
287D97.9Very high96.1Very high39 Ų3955.5 Ų55.521%0.20930%0.299CS..EExtended strand (participates in β ladder)trans-90.2112.4171.8-165.4-25.7000109.3S289 K313 L314 V315 A316D287-S289 VanDerWaalsContact C-N 3.35Å; D287-S289 VanDerWaalsContact OD1-CB 3.23Å; D287-S289 WeakPolarHBondContact OD1-CB 3.25Å; D287-S289 PolarHBondContact OD1-N 3.39Å; D287-S289 VanDerWaalsContact OD1-N 3.12Å; D287-S289 PolarHBondContact OD1-OG 2.86Å; D287-K313 HydrophobicContact CB-CD 4.11Å; D287-K313 HydrophobicContact CB-CG 4.41Å; D287-K313 IonicContact OD2-NZ 3.83Å; D287-K313 PolarHBondContact OD2-NZ 2.88Å; D287-L314 PolarHBondContact N-O 2.78Å; D287-V315 HydrophobicContact CB-CG2 4.24Å; D287-A316 PolarHBondContact O-N 3.14Å
288L97.3Very high96.3Very high9 Ų949.2 Ų49.25%0.04727%0.271CS..  trans-89.82.6-177-54.8177.1000113.1N267 V270 V286 E290 L291 Y294 L296 I485N267-L288 HydrophobicContact CB-CD1 4.38Å; V270-L288 HydrophobicContact CB-CD1 4.49Å; V270-L288 HydrophobicContact CG2-CD1 3.81Å; V286-L288 HydrophobicContact CG1-CD2 3.68Å; L288-E290 PolarHBondContact O-N 2.9Å; L288-E290 VanDerWaalsContact O-N 3.14Å; L288-L291 HydrophobicContact CD2-CD1 3.73Å; L288-L291 PolarHBondContact O-N 2.64Å; L288-Y294 HydrophobicContact CB-CE1 4.11Å; L288-Y294 HydrophobicContact CD1-CD2 4.31Å; L288-Y294 HydrophobicContact CD1-CE1 4.12Å; L288-Y294 HydrophobicContact CD1-CE2 3.91Å; L288-L296 HydrophobicContact CD1-CD1 4Å; L288-L296 HydrophobicContact CD2-CD1 3.89Å; L288-I485 HydrophobicContact CD1-CD1 4.2Å
289S95.5Very high96.4Very high95 Ų9546.7 Ų46.766%0.66426%0.259SS*.THydrogen-bonded Turntrans-59.8-29.9-170.1-56.40000113.8D287D287-S289 VanDerWaalsContact C-N 3.35Å; D287-S289 VanDerWaalsContact OD1-CB 3.23Å; D287-S289 WeakPolarHBondContact OD1-CB 3.25Å; D287-S289 PolarHBondContact OD1-N 3.39Å; D287-S289 VanDerWaalsContact OD1-N 3.12Å; D287-S289 PolarHBondContact OD1-OG 2.86Å
290E95.1Very high96.6Very high130 Ų13046.9 Ų46.961%0.60726%0.259SS*.THydrogen-bonded Turntrans-93.3-5-179.5-58.5-60.3147.500113.2L288 V315L288-E290 PolarHBondContact O-N 2.9Å; L288-E290 VanDerWaalsContact O-N 3.14Å; E290-V315 HydrophobicContact CB-CG1 4.43Å; E290-V315 HydrophobicContact CG-CG1 3.79Å
291L94.6Very high96.7Very high15 Ų1542.3 Ų42.38%0.07923%0.227CC..  trans-83.2118.9174.8-78.8173.6000110.6L288 Y294 A316 L319L288-L291 HydrophobicContact CD2-CD1 3.73Å; L288-L291 PolarHBondContact O-N 2.64Å; L291-Y294 HydrophobicContact CB-CD1 4.09Å; L291-A316 HydrophobicContact CD1-CB 3.67Å; L291-A316 HydrophobicContact CG-CB 3.98Å; L291-L319 HydrophobicContact CD1-CB 4.5Å; L291-L319 HydrophobicContact CD2-CB 4.32Å
292K89.8Confident96.9Very high187 Ų18741 Ų4181%0.81321%0.213SC*.SBendtrans-65.7-48.2177.1-64-179.3-178.7176.20112S487K292-S487 PolarHBondContact O-OG 3.15Å
293E92Very high96.9Very high108 Ų10840.2 Ų40.251%0.50521%0.206SC..SBendtrans-135.6136.6-177-59.3-166146.800109.8S487 S489E293-S487 WeakPolarHBondContact CA-O 3.5Å; E293-S489 WeakPolarHBondContact OE1-CB 3.35Å; E293-S489 PolarHBondContact OE1-N 3Å; E293-S489 PolarHBondContact OE1-OG 3.39Å
294Y95.4Very high96.9Very high29 Ų2935.1 Ų35.111%0.11418%0.182CC..EExtended strand (participates in β ladder)trans-155.6156.7175.963.2-98.5000109.9N267 L288 L291 L296 I485 S486 S487N267-Y294 WeakPolarHBondContact CB-OH 3.45Å; L288-Y294 HydrophobicContact CB-CE1 4.11Å; L288-Y294 HydrophobicContact CD1-CD2 4.31Å; L288-Y294 HydrophobicContact CD1-CE1 4.12Å; L288-Y294 HydrophobicContact CD1-CE2 3.91Å; L291-Y294 HydrophobicContact CB-CD1 4.09Å; Y294-L296 HydrophobicContact CD2-CD1 4.14Å; Y294-L296 HydrophobicContact CD2-CG 4.12Å; Y294-I485 HydrophobicContact CE2-CD1 3.97Å; Y294-I485 HydrophobicContact CE2-CG1 4.08Å; Y294-S486 CarbonylContact O-C 3.55Å; Y294-S486 WeakPolarHBondContact O-CA 3.31Å; Y294-S486 WeakPolarHBondContact O-CB 3.21Å; Y294-S487 PolarHBondContact N-O 3.34Å; Y294-S487 PolarHBondContact O-N 2.91Å
295S96.8Very high96.9Very high18 Ų1837.4 Ų37.413%0.12619%0.193CC..EExtended strand (participates in β ladder)trans-143.8114.8168.2174.30000106.2Q300 E484 I485 H501S295-Q300 PolarHBondContact O-OE1 2.87Å; S295-E484 PolarHBondContact OG-OE1 3.19Å; S295-I485 CarbonylContact C-O 3.18Å; S295-I485 WeakPolarHBondContact CA-O 3.37Å; S295-H501 PolarHBondContact O-CE1 2.6Å; S295-H501 VanDerWaalsContact O-CE1 3.32Å; S295-H501 PolarHBondContact OG-CE1 3.08Å; S295-H501 PolarHBondContact OG-NE2 3.41Å
296L98.1Very high96.9Very high0 Ų034.3 Ų34.30%017%0.173CC..EExtended strand (participates in β ladder)trans-129.7146.2-170.3-60.7174.6000111I257 V270 L288 Y294 V302 M304 L319 E484 I485I257-L296 HydrophobicContact CD1-CD1 4.44Å; I257-L296 HydrophobicContact CD1-CD2 4.15Å; I257-L296 HydrophobicContact CG1-CD2 4.12Å; V270-L296 HydrophobicContact CG1-CD1 4.29Å; L288-L296 HydrophobicContact CD1-CD1 4Å; L288-L296 HydrophobicContact CD2-CD1 3.89Å; Y294-L296 HydrophobicContact CD2-CD1 4.14Å; Y294-L296 HydrophobicContact CD2-CG 4.12Å; L296-V302 HydrophobicContact CD2-CG1 4.26Å; L296-M304 HydrophobicContact CD1-CE 4.02Å; L296-M304 HydrophobicContact CD2-CE 3.97Å; L296-L319 HydrophobicContact CD2-CD1 4.29Å; L296-L319 HydrophobicContact CD2-CD2 3.73Å; L296-E484 WeakPolarHBondContact O-CA 3.48Å; L296-I485 HydrophobicContact CB-CD1 4.24Å; L296-I485 HydrophobicContact CB-CG1 3.85Å; L296-I485 PolarHBondContact N-O 3.37Å; L296-I485 PolarHBondContact O-N 3.39Å
297F98.3Very high96.8Very high0 Ų037.3 Ų37.30%019%0.188CC..  trans-146.9157171.270.3-87.4000110.5I257 G299 Q300 L480 E484 H501 Q505 P510 L511I257-F297 WeakPolarHBondContact CB-O 3.26Å; I257-F297 WeakPolarHBondContact CG2-O 3.31Å; F297-G299 PolarHBondContact O-N 2.88Å; F297-Q300 HydrophobicContact CD1-CB 3.86Å; F297-Q300 HydrophobicContact CD1-CG 4.09Å; F297-Q300 HydrophobicContact CD2-CB 4.3Å; F297-Q300 HydrophobicContact CE1-CB 3.53Å; F297-Q300 HydrophobicContact CE1-CG 3.52Å; F297-Q300 HydrophobicContact CE2-CB 3.99Å; F297-Q300 HydrophobicContact CG-CB 4.23Å; F297-Q300 HydrophobicContact CZ-CB 3.6Å; F297-Q300 HydrophobicContact CZ-CG 3.91Å; F297-Q300 WeakPolarHBondContact O-CB 3.21Å; F297-Q300 PolarHBondContact O-N 2.63Å; F297-L480 HydrophobicContact CB-CD2 4.22Å; F297-L480 HydrophobicContact CD1-CD2 4.16Å; F297-L480 HydrophobicContact CD2-CD2 3.16Å; F297-L480 HydrophobicContact CE1-CD2 4.37Å; F297-L480 HydrophobicContact CE2-CD2 3.45Å; F297-L480 VanDerWaalsContact CE2-CD2 3.45Å; F297-L480 HydrophobicContact CG-CD2 3.57Å; F297-L480 HydrophobicContact CZ-CD2 4.05Å; F297-E484 HydrophobicContact CB-CB 4.49Å; F297-H501 HydrophobicContact CD1-CB 4.21Å; F297-H501 AromaticContact CD1-CD2 3.65Å; F297-H501 AromaticContact CD1-CG 3.81Å; F297-H501 HydrophobicContact CE1-CB 3.59Å; F297-H501 AromaticContact CE1-CD2 3.89Å; F297-H501 AromaticContact CE1-CG 3.55Å; F297-H501 AromaticContact CE1-ND1 3.94Å; F297-H501 HydrophobicContact CZ-CB 4.38Å; F297-Q505 HydrophobicContact CE1-CG 4.37Å; F297-Q505 HydrophobicContact CZ-CG 4Å; F297-P510 HydrophobicContact CE2-CB 4.17Å; F297-P510 HydrophobicContact CE2-CG 4.26Å; F297-P510 HydrophobicContact CZ-CB 4.01Å; F297-P510 HydrophobicContact CZ-CG 4.05Å; F297-L511 HydrophobicContact CD2-CD1 4.18Å
298P98.5Very high96.8Very high10 Ų1035.5 Ų35.57%0.06518%0.178CC..THydrogen-bonded Turntrans-59.8134.6178.1-23.735.3000112.9I257 L265 Q300 E483 L511 Y512I257-P298 CarbonylContact O-C 3.46Å; L265-P298 HydrophobicContact CB-CG 4.11Å; L265-P298 HydrophobicContact CD2-CG 4.06Å; P298-Q300 VanDerWaalsContact C-N 3.32Å; P298-E483 HydrophobicContact CG-CB 4.2Å; P298-L511 HydrophobicContact CB-CD1 4.16Å; P298-L511 HydrophobicContact CG-CD1 4.39Å; P298-L511 WeakPolarHBondContact O-CD1 3.29Å; P298-Y512 CarbonylContact C-O 3.49Å; P298-Y512 VanDerWaalsContact CB-O 3.26Å; P298-Y512 WeakPolarHBondContact CB-O 3.42Å; P298-Y512 PolarHBondContact O-N 2.96Å
299G98.3Very high96.7Very high0 Ų039.1 Ų39.10%020%0.201CC..THydrogen-bonded Turntrans88.4-5.3-177.800000114.5K223 Q256 I257 F297 V301 Y512K223-G299 WeakPolarHBondContact CE-O 3.3Å; K223-G299 PolarHBondContact NZ-O 3.42Å; Q256-G299 PolarHBondContact NE2-O 2.84Å; Q256-G299 VanDerWaalsContact NE2-O 3.12Å; I257-G299 PolarHBondContact O-N 3.39Å; F297-G299 PolarHBondContact O-N 2.88Å; G299-V301 PolarHBondContact O-N 3.4Å; G299-Y512 WeakPolarHBondContact CA-O 3.22Å; G299-Y512 PolarHBondContact N-O 2.83Å
300Q98.7Very high96.6Very high15 Ų1538.5 Ų38.57%0.0719%0.193CC..  trans-68.8123177.7-170.5-176.6-0.800111.1Q256 I257 S295 F297 P298 V302Q256-Q300 CarbonylContact C-O 3.38Å; Q256-Q300 VanDerWaalsContact CA-O 3.32Å; Q256-Q300 WeakPolarHBondContact CA-O 3.21Å; I257-Q300 HydrophobicContact CB-CB 4.28Å; I257-Q300 HydrophobicContact CG1-CB 4.14Å; I257-Q300 PolarHBondContact N-O 3.19Å; S295-Q300 PolarHBondContact O-OE1 2.87Å; F297-Q300 HydrophobicContact CD1-CB 3.86Å; F297-Q300 HydrophobicContact CD1-CG 4.09Å; F297-Q300 HydrophobicContact CD2-CB 4.3Å; F297-Q300 HydrophobicContact CE1-CB 3.53Å; F297-Q300 HydrophobicContact CE1-CG 3.52Å; F297-Q300 HydrophobicContact CE2-CB 3.99Å; F297-Q300 HydrophobicContact CG-CB 4.23Å; F297-Q300 HydrophobicContact CZ-CB 3.6Å; F297-Q300 HydrophobicContact CZ-CG 3.91Å; F297-Q300 WeakPolarHBondContact O-CB 3.21Å; F297-Q300 PolarHBondContact O-N 2.63Å; P298-Q300 VanDerWaalsContact C-N 3.32Å; Q300-V302 HydrophobicContact CB-CG1 4.32Å; Q300-V302 HydrophobicContact CG-CG1 3.69Å
301V98.8Very high96.6Very high4 Ų432.5 Ų32.52%0.02417%0.166CC..EExtended strand (participates in β ladder)trans-77.2126.2168.9-176.90000108.6K223 I224 L227 L254 G255 G299 Q505K223-V301 HydrophobicContact CD-CG2 4.45Å; K223-V301 HydrophobicContact CG-CG2 4.01Å; I224-V301 HydrophobicContact CG1-CG2 4.25Å; I224-V301 HydrophobicContact CG2-CG1 4.32Å; L227-V301 HydrophobicContact CB-CG1 4.24Å; L227-V301 HydrophobicContact CD2-CB 3.75Å; L227-V301 HydrophobicContact CD2-CG1 4.1Å; L227-V301 HydrophobicContact CD2-CG2 4.23Å; L227-V301 HydrophobicContact CG-CB 4.4Å; L227-V301 HydrophobicContact CG-CG1 4.19Å; L254-V301 HydrophobicContact CD1-CG1 4.14Å; G255-V301 WeakPolarHBondContact O-CA 3.14Å; G299-V301 PolarHBondContact O-N 3.4Å; V301-Q505 PolarHBondContact O-NE2 2.85Å
302V98.6Very high96.6Very high5 Ų541.4 Ų41.43%0.0320%0.199CC..EExtended strand (participates in β ladder)trans-135.7154.9-175.5-63.20000111.1G255 I257 L272 L296 Q300 M304 L319G255-V302 PolarHBondContact N-O 2.79Å; G255-V302 VanDerWaalsContact N-O 3.16Å; G255-V302 PolarHBondContact O-N 3.32Å; I257-V302 HydrophobicContact CD1-CG1 4.4Å; I257-V302 HydrophobicContact CD1-CG2 3.72Å; I257-V302 HydrophobicContact CG1-CG1 3.95Å; I257-V302 HydrophobicContact CG1-CG2 3.96Å; L272-V302 HydrophobicContact CD1-CG2 3.6Å; L296-V302 HydrophobicContact CD2-CG1 4.26Å; Q300-V302 HydrophobicContact CB-CG1 4.32Å; Q300-V302 HydrophobicContact CG-CG1 3.69Å; V302-M304 HydrophobicContact CG2-CE 4.13Å; V302-M304 HydrophobicContact CG2-CG 4.13Å; V302-M304 HydrophobicContact CG2-SD 4.37Å; V302-L319 HydrophobicContact CB-CD1 3.91Å; V302-L319 HydrophobicContact CG1-CD1 4Å
303I98.6Very high97Very high1 Ų136.7 Ų36.71%0.00518%0.178CC..EExtended strand (participates in β ladder)trans-111.9127.2160.7-60.8174.5000107.3L231 I237 F240 T252 L253 L254 Y320L231-I303 HydrophobicContact CB-CD1 3.44Å; L231-I303 VanDerWaalsContact CB-CD1 3.44Å; L231-I303 HydrophobicContact CB-CG1 4.43Å; L231-I303 HydrophobicContact CD1-CD1 4.2Å; L231-I303 HydrophobicContact CD1-CG1 4.34Å; L231-I303 HydrophobicContact CG-CD1 4.47Å; I237-I303 HydrophobicContact CD1-CD1 3.74Å; I237-I303 HydrophobicContact CD1-CG2 3.9Å; F240-I303 HydrophobicContact CE1-CD1 3.71Å; F240-I303 HydrophobicContact CE1-CG1 3.98Å; F240-I303 HydrophobicContact CE1-CG2 4.04Å; F240-I303 HydrophobicContact CZ-CD1 3.65Å; F240-I303 HydrophobicContact CZ-CG1 4.18Å; T252-I303 HydrophobicContact CG2-CG2 3.38Å; L253-I303 WeakPolarHBondContact O-CA 3.31Å; L254-I303 HydrophobicContact CD1-CG1 4.13Å; I303-Y320 HydrophobicContact CB-CD2 3.93Å; I303-Y320 HydrophobicContact CB-CG 4.18Å; I303-Y320 HydrophobicContact CG2-CD2 3.51Å; I303-Y320 HydrophobicContact CG2-CE2 3.91Å; I303-Y320 HydrophobicContact CG2-CG 4.13Å; I303-Y320 WeakPolarHBondContact O-CD2 3.19Å; I303-Y320 PolarHBondContact O-N 3.45Å
304M98.1Very high97.3Very high0 Ų031.6 Ų31.60%015%0.154CC..EExtended strand (participates in β ladder)trans-121.3139.5178.1-70.1-177.1167.500110.2L253 I257 V286 L296 V302 L314 K318 L319L253-M304 PolarHBondContact N-O 2.89Å; L253-M304 PolarHBondContact O-N 2.73Å; I257-M304 HydrophobicContact CD1-CE 3.7Å; V286-M304 HydrophobicContact CG1-CE 4.4Å; V286-M304 HydrophobicContact CG1-SD 3.82Å; V286-M304 HydrophobicContact CG2-SD 4.25Å; L296-M304 HydrophobicContact CD1-CE 4.02Å; L296-M304 HydrophobicContact CD2-CE 3.97Å; V302-M304 HydrophobicContact CG2-CE 4.13Å; V302-M304 HydrophobicContact CG2-CG 4.13Å; V302-M304 HydrophobicContact CG2-SD 4.37Å; M304-L314 HydrophobicContact CB-CD2 3.8Å; M304-L314 HydrophobicContact SD-CD2 4.24Å; M304-K318 WeakPolarHBondContact CA-O 3.41Å; M304-L319 HydrophobicContact CE-CD1 3.8Å; M304-L319 HydrophobicContact CG-CD1 3.83Å
305E98Very high97.4Very high51 Ų5132.3 Ų32.324%0.23816%0.162CC..EExtended strand (participates in β ladder)trans-114133.3171.8178.5-171.5131.100109.3P250 V251 T317 K318 Y320P250-E305 HydrophobicContact CB-CG 4.41Å; V251-E305 VanDerWaalsContact O-CA 3.28Å; V251-E305 WeakPolarHBondContact O-CA 3.35Å; E305-T317 PolarHBondContact O-N 2.63Å; E305-T317 PolarHBondContact O-OG1 2.83Å; E305-K318 HydrophobicContact CB-CB 4.19Å; E305-K318 PolarHBondContact N-O 2.92Å; E305-K318 PolarHBondContact O-N 2.8Å; E305-K318 IonicContact OE2-NZ 3.93Å; E305-Y320 HydrophobicContact CB-CE2 4.1Å; E305-Y320 PolarHBondContact OE2-OH 2.86Å
306G97.3Very high97.4Very high0 Ų031.4 Ų31.40%016%0.156CC..EExtended strand (participates in β ladder)trans-178.8-173-174.200000113P250 V251 V315P250-G306 CarbonylContact C-O 3.51Å; P250-G306 WeakPolarHBondContact CA-O 3.39Å; V251-G306 WeakPolarHBondContact CG2-O 3.41Å; V251-G306 PolarHBondContact N-O 2.81Å; V251-G306 PolarHBondContact O-N 3.01Å; V251-G306 VanDerWaalsContact O-N 3.08Å; G306-V315 CarbonylContact C-O 3.3Å; G306-V315 WeakPolarHBondContact CA-O 3.41Å
307I97.8Very high97.4Very high68 Ų6834.5 Ų34.535%0.34917%0.174SC..EExtended strand (participates in β ladder)trans-108128.8-176.4-57173.8000109.2T309 V315I307-T309 HydrophobicContact CG2-CG2 3.57Å; I307-V315 PolarHBondContact N-O 2.73Å; I307-V315 PolarHBondContact O-N 3.37Å
308N96.3Very high97.4Very high0 Ų038.7 Ų38.70%019%0.193CC..EExtended strand (participates in β ladder)trans-129.972.5176.5-175.811.3000110.6L243 P246 A247 V251 T310 G311 R312 K313 L314L243-N308 PolarHBondContact O-ND2 2.89Å; P246-N308 CarbonylContact C-O 3.58Å; P246-N308 WeakPolarHBondContact CA-O 3.33Å; A247-N308 PolarHBondContact N-O 2.73Å; A247-N308 CarbonylContact O-C 3.56Å; A247-N308 VanDerWaalsContact O-C 3.3Å; V251-N308 HydrophobicContact CG2-CB 4.39Å; N308-T310 PolarHBondContact O-N 3.26Å; N308-G311 WeakPolarHBondContact OD1-CA 3.32Å; N308-G311 PolarHBondContact OD1-N 2.79Å; N308-R312 PolarHBondContact OD1-N 3.03Å; N308-K313 PolarHBondContact OD1-N 2.9Å; N308-K313 PolarHBondContact OD1-O 3.36Å; N308-K313 VanDerWaalsContact OD1-O 3.09Å; N308-L314 HydrophobicContact CB-CD1 4.33Å
309T95.9Very high97.3Very high85 Ų8540.1 Ų40.152%0.52120%0.199SC..THydrogen-bonded Turntrans-67.6-20.1-174.561.40000114.4P246 A247 I307P246-T309 WeakPolarHBondContact CB-O 3.42Å; A247-T309 VanDerWaalsContact O-CA 3.28Å; A247-T309 WeakPolarHBondContact O-CA 3.4Å; A247-T309 PolarHBondContact O-N 3.11Å; I307-T309 HydrophobicContact CG2-CG2 3.57Å
310T94.3Very high97.3Very high83 Ų8341.6 Ų41.651%0.50921%0.205SC..THydrogen-bonded Turntrans-110.3-11.2-173.360.20000113.8N308 R312N308-T310 PolarHBondContact O-N 3.26Å; T310-R312 PolarHBondContact O-N 3.08Å; T310-R312 PolarHBondContact OG1-N 3.24Å
311G93.6Very high97.2Very high4 Ų446 Ų464%0.04123%0.226CC..SBendtrans739.9-170.200000113.9N308N308-G311 WeakPolarHBondContact OD1-CA 3.32Å; N308-G311 PolarHBondContact OD1-N 2.79Å
312R95.6Very high97.1Very high201 Ų20146.9 Ų46.976%0.75824%0.236SC*.SBendtrans-123.7-12.2-171.2-60.1-175.4-176.6-163.4-1115P285 N308 T310P285-R312 WeakPolarHBondContact CD-O 3.24Å; N308-R312 PolarHBondContact OD1-N 3.03Å; T310-R312 PolarHBondContact O-N 3.08Å; T310-R312 PolarHBondContact OG1-N 3.24Å
313K97.3Very high97Very high89 Ų8947.7 Ų47.739%0.38724%0.241SC..  trans-159128.7180-173.4177.472.6153.30109.1P285 D287 N308P285-K313 HydrophobicContact CB-CG 4.39Å; P285-K313 WeakPolarHBondContact O-CA 3.3Å; D287-K313 HydrophobicContact CB-CD 4.11Å; D287-K313 HydrophobicContact CB-CG 4.41Å; D287-K313 IonicContact OD2-NZ 3.83Å; D287-K313 PolarHBondContact OD2-NZ 2.88Å; N308-K313 PolarHBondContact OD1-N 2.9Å; N308-K313 PolarHBondContact OD1-O 3.36Å; N308-K313 VanDerWaalsContact OD1-O 3.09Å
314L98.3Very high97Very high0 Ų049.4 Ų49.40%025%0.252CS..EExtended strand (participates in β ladder)trans-88.6122.9171.8-18067.4000109.4V251 L253 I284 P285 V286 D287 M304 N308 A316V251-L314 HydrophobicContact CG2-CD1 4.49Å; L253-L314 HydrophobicContact CD1-CB 4.38Å; L253-L314 HydrophobicContact CD1-CD1 3.67Å; L253-L314 HydrophobicContact CD1-CD2 3.88Å; L253-L314 HydrophobicContact CD1-CG 4.17Å; I284-L314 HydrophobicContact CD1-CB 3.92Å; P285-L314 PolarHBondContact O-N 3.27Å; V286-L314 HydrophobicContact CG1-CD2 4.45Å; D287-L314 PolarHBondContact N-O 2.78Å; M304-L314 HydrophobicContact CB-CD2 3.8Å; M304-L314 HydrophobicContact SD-CD2 4.24Å; N308-L314 HydrophobicContact CB-CD1 4.33Å; L314-A316 HydrophobicContact CD2-CB 4.43Å; L314-A316 PolarHBondContact O-N 3.38Å
315V98.1Very high96.9Very high44 Ų4450.8 Ų50.827%0.26726%0.259SS..EExtended strand (participates in β ladder)trans-88.1101.7163-1760000107.6D287 E290 G306 I307D287-V315 HydrophobicContact CB-CG2 4.24Å; E290-V315 HydrophobicContact CB-CG1 4.43Å; E290-V315 HydrophobicContact CG-CG1 3.79Å; G306-V315 CarbonylContact C-O 3.3Å; G306-V315 WeakPolarHBondContact CA-O 3.41Å; I307-V315 PolarHBondContact N-O 2.73Å; I307-V315 PolarHBondContact O-N 3.37Å
316A98Very high96.8Very high0 Ų052.7 Ų52.70%028%0.276CS..EExtended strand (participates in β ladder)trans-74.8130.2-173.300000110.5V286 D287 L291 L314V286-A316 HydrophobicContact CG1-CB 3.84Å; D287-A316 PolarHBondContact O-N 3.14Å; L291-A316 HydrophobicContact CD1-CB 3.67Å; L291-A316 HydrophobicContact CG-CB 3.98Å; L314-A316 HydrophobicContact CD2-CB 4.43Å; L314-A316 PolarHBondContact O-N 3.38Å
317T97.3Very high96.7Very high64 Ų6454.8 Ų54.839%0.39329%0.285SS..EExtended strand (participates in β ladder)trans-113.5-24.9-18060.10000112.2E305E305-T317 PolarHBondContact O-N 2.63Å; E305-T317 PolarHBondContact O-OG1 2.83Å
318K97.4Very high96.4Very high89 Ų8954.8 Ų54.839%0.38728%0.281SS..EExtended strand (participates in β ladder)trans-148.7135.2177.7173.8-175178.6-167.70110.2M304 E305 Y320M304-K318 WeakPolarHBondContact CA-O 3.41Å; E305-K318 HydrophobicContact CB-CB 4.19Å; E305-K318 PolarHBondContact N-O 2.92Å; E305-K318 PolarHBondContact O-N 2.8Å; E305-K318 IonicContact OE2-NZ 3.93Å; K318-Y320 HydrophobicContact CD-CE2 4.18Å; K318-Y320 VanDerWaalsContact NZ-CZ 3.34Å; K318-Y320 PolarHBondContact NZ-OH 2.7Å
319L97.8Very high96.1Very high39 Ų3962.7 Ų62.720%0.20432%0.318CS..EExtended strand (participates in β ladder)trans-109.3122.4170.6175.563.7000107.5L291 L296 V302 M304L291-L319 HydrophobicContact CD1-CB 4.5Å; L291-L319 HydrophobicContact CD2-CB 4.32Å; L296-L319 HydrophobicContact CD2-CD1 4.29Å; L296-L319 HydrophobicContact CD2-CD2 3.73Å; V302-L319 HydrophobicContact CB-CD1 3.91Å; V302-L319 HydrophobicContact CG1-CD1 4Å; M304-L319 HydrophobicContact CE-CD1 3.8Å; M304-L319 HydrophobicContact CG-CD1 3.83Å
320Y97.8Very high95.4Very high32 Ų3261.6 Ų61.613%0.12531%0.312CS..PPolyproline II helixtrans-71.5142.3176.3-75.4-99.3000110.4Y235 I237 T252 I303 E305 K318Y235-Y320 AromaticContact CD1-CD1 3.65Å; Y235-Y320 HydrophobicContact CD1-CD1 3.65Å; Y235-Y320 AromaticContact CD1-CE1 3.96Å; Y235-Y320 HydrophobicContact CD1-CE1 3.96Å; Y235-Y320 AromaticContact CD2-CD1 3.66Å; Y235-Y320 HydrophobicContact CD2-CD1 3.66Å; Y235-Y320 HydrophobicContact CD2-CE1 4.41Å; Y235-Y320 HydrophobicContact CD2-CG 4.39Å; Y235-Y320 AromaticContact CE1-CD1 3.93Å; Y235-Y320 HydrophobicContact CE1-CD1 3.93Å; Y235-Y320 AromaticContact CE2-CD1 3.93Å; Y235-Y320 HydrophobicContact CE2-CD1 3.93Å; Y235-Y320 HydrophobicContact CE2-CG 4.47Å; Y235-Y320 AromaticContact CG-CD1 3.5Å; Y235-Y320 HydrophobicContact CG-CD1 3.5Å; Y235-Y320 AromaticContact CG-CE1 3.86Å; Y235-Y320 HydrophobicContact CG-CE1 3.86Å; I237-Y320 HydrophobicContact CD1-CE1 4.23Å; T252-Y320 HydrophobicContact CG2-CE2 4.37Å; I303-Y320 HydrophobicContact CB-CD2 3.93Å; I303-Y320 HydrophobicContact CB-CG 4.18Å; I303-Y320 HydrophobicContact CG2-CD2 3.51Å; I303-Y320 HydrophobicContact CG2-CE2 3.91Å; I303-Y320 HydrophobicContact CG2-CG 4.13Å; I303-Y320 WeakPolarHBondContact O-CD2 3.19Å; I303-Y320 PolarHBondContact O-N 3.45Å; E305-Y320 HydrophobicContact CB-CE2 4.1Å; E305-Y320 PolarHBondContact OE2-OH 2.86Å; K318-Y320 HydrophobicContact CD-CE2 4.18Å; K318-Y320 VanDerWaalsContact NZ-CZ 3.34Å; K318-Y320 PolarHBondContact NZ-OH 2.7Å
321E96.1Very high94.9Very high107 Ų10760.9 Ų60.950%0.531%0.308SS..PPolyproline II helixtrans-74.8138.6179.1-171174.7176.300110.3Y235 K500Y235-E321 WeakPolarHBondContact CE2-O 3.13Å; Y235-E321 WeakPolarHBondContact OH-CB 3.45Å; Y235-E321 PolarHBondContact OH-N 3.05Å; Y235-E321 PolarHBondContact OH-O 3.02Å; E321-K500 WeakPolarHBondContact OE1-CE 3.33Å; E321-K500 IonicContact OE1-NZ 2.62Å; E321-K500 PolarHBondContact OE1-NZ 2.7Å
322G96.3Very high94.1Very high23 Ų2369.6 Ų69.624%0.23735%0.348CS..PPolyproline II helixtrans-63.6145.9174.900000111.7T504G322-T504 VanDerWaalsContact C-CG2 3.45Å; G322-T504 VanDerWaalsContact O-CG2 3.26Å; G322-T504 WeakPolarHBondContact O-CG2 3.36Å
323V97.9Very high93.2Very high22 Ų2266.9 Ų66.913%0.13334%0.344CS..  trans-114.5116.7-177.2-178.60000109.2L231 Y235 R506L231-V323 HydrophobicContact CD2-CB 3.76Å; L231-V323 HydrophobicContact CD2-CG2 3.54Å; Y235-V323 HydrophobicContact CE2-CG2 3.88Å; V323-R506 PolarHBondContact O-NE 3.37Å
324P97.2Very high92.2Very high37 Ų3763 Ų6324%0.2433%0.327CS..PPolyproline II helixtrans-71.5163.517836.5-38.4000110.3L503 T504 L552P324-L503 WeakPolarHBondContact CA-O 3.26Å; P324-L503 HydrophobicContact CB-CB 4.46Å; P324-T504 HydrophobicContact CB-CG2 4.37Å; P324-L552 HydrophobicContact CB-CD1 4.35Å; P324-L552 HydrophobicContact CG-CD1 4.1Å
325L96.6Very high90.8Very high28 Ų2865.1 Ų65.115%0.14735%0.349CS..PPolyproline II helixtrans-65.2159.3170.3-78167000111R506 L531 T534L325-R506 HydrophobicContact CD1-CB 4.27Å; L325-R506 HydrophobicContact CD1-CG 4.23Å; L325-R506 HydrophobicContact CG-CG 4.01Å; L325-L531 HydrophobicContact CD1-CB 4.47Å; L325-L531 WeakPolarHBondContact CD1-O 3.45Å; L325-T534 PolarHBondContact N-OG1 3.47Å; L325-T534 WeakPolarHBondContact O-CB 3.34Å; L325-T534 PolarHBondContact O-OG1 2.88Å
326P96.1Very high89.9Confident92 Ų9269.9 Ų69.960%0.59737%0.373SS*.PPolyproline II helixtrans-60.2155.8166.427.4-34.5000110.7V533 T534P326-V533 WeakPolarHBondContact O-CB 3.33Å; P326-T534 PolarHBondContact O-N 3.13Å
327F95.1Very high89.3Confident43 Ų4371.8 Ų71.819%0.18938%0.381CS..BIsolated β-bridgetrans-73.5158.6169.9-70.2-82.8000110.9Q329 T534 P535 L552 C554 R586F327-Q329 PolarHBondContact O-N 2.75Å; F327-T534 HydrophobicContact CD1-CG2 3.96Å; F327-T534 WeakPolarHBondContact CD1-O 3.48Å; F327-T534 HydrophobicContact CE1-CG2 3.21Å; F327-T534 HydrophobicContact CE2-CG2 4.11Å; F327-T534 HydrophobicContact CZ-CG2 3.27Å; F327-P535 WeakPolarHBondContact CE1-O 3.3Å; F327-L552 WeakPolarHBondContact CZ-O 3.41Å; F327-C554 HydrophobicContact CE1-CB 4.43Å; F327-R586 VanDerWaalsContact CG-NE 3.27Å; F327-R586 VanDerWaalsContact CZ-CZ 3.49Å
328Y92.7Very high88.7Confident69 Ų6975 Ų7527%0.27139%0.391SS..PPolyproline II helixtrans-58.2130.7171.7177.7-109.4000111.3P330 D334 I468Y328-P330 WeakPolarHBondContact O-CD 3.16Å; Y328-D334 PolarHBondContact OH-OD2 3.32Å; Y328-I468 VanDerWaalsContact CB-CG1 3.43Å; Y328-I468 HydrophobicContact CD1-CD1 3.94Å; Y328-I468 HydrophobicContact CD1-CG1 4Å; Y328-I468 HydrophobicContact CD2-CD1 4.37Å; Y328-I468 HydrophobicContact CE1-CD1 4.45Å; Y328-I468 HydrophobicContact CG-CD1 3.89Å; Y328-I468 HydrophobicContact CG-CG1 3.75Å
329Q88.6Confident88.4Confident165 Ų16574.3 Ų74.377%0.77139%0.39SS*.  trans-86.1115173.3-69-175.22.300108.7F327F327-Q329 PolarHBondContact O-N 2.75Å
330P82.3Confident88.2Confident62 Ų6272.6 Ų72.640%0.40338%0.381SS..  trans-68144.5-177.7-15.931.4000111.2Y328 D334Y328-P330 WeakPolarHBondContact O-CD 3.16Å; P330-D334 HydrophobicContact CB-CB 4.02Å
331T83.4Confident88.1Confident68 Ų6871 Ų7142%0.41738%0.375SS..  trans-81165.3168640000110.7E333 D334T331-E333 PolarHBondContact O-N 2.9Å; T331-D334 WeakPolarHBondContact CB-OD2 3.47Å; T331-D334 PolarHBondContact N-OD2 2.95Å; T331-D334 WeakPolarHBondContact O-CB 3.3Å; T331-D334 PolarHBondContact O-N 2.81Å; T331-D334 VanDerWaalsContact OG1-CG 3.26Å; T331-D334 PolarHBondContact OG1-OD2 2.99Å
332E76.4Confident88.1Confident188 Ų18866 Ų6688%0.87935%0.351SS*.G310 helixtrans-57.9-36.4175.6-65.9-168166.200111.7D334 G335E332-D334 PolarHBondContact O-N 3.12Å; E332-G335 PolarHBondContact O-N 2.75Å; E332-G335 VanDerWaalsContact O-N 3.08Å
333E76.5Confident88.3Confident144 Ų14464.9 Ų64.967%0.67334%0.34SS*.G310 helixtrans-62.1-28.2176.3-59.4-178.5178.700112.8T331 G335 F337T331-E333 PolarHBondContact O-N 2.9Å; E333-G335 VanDerWaalsContact C-N 3.27Å; E333-G335 PolarHBondContact O-N 2.93Å; E333-F337 WeakPolarHBondContact O-CE2 3.48Å
334D76.6Confident88.3Confident7 Ų763.8 Ų63.84%0.03733%0.334CS..G310 helixtrans-76-16.8178.6-61.2-54.1000112.8Y328 P330 T331 E332 G466Y328-D334 PolarHBondContact OH-OD2 3.32Å; P330-D334 HydrophobicContact CB-CB 4.02Å; T331-D334 WeakPolarHBondContact CB-OD2 3.47Å; T331-D334 PolarHBondContact N-OD2 2.95Å; T331-D334 WeakPolarHBondContact O-CB 3.3Å; T331-D334 PolarHBondContact O-N 2.81Å; T331-D334 VanDerWaalsContact OG1-CG 3.26Å; T331-D334 PolarHBondContact OG1-OD2 2.99Å; E332-D334 PolarHBondContact O-N 3.12Å; D334-G466 VanDerWaalsContact OD1-CA 3.28Å; D334-G466 WeakPolarHBondContact OD1-CA 3.46Å
335G69.5Low88.4Confident44 Ų4462 Ų6245%0.45432%0.322SS..G310 helixtrans-77.5-20.4177.600000114E332 E333E332-G335 PolarHBondContact O-N 2.75Å; E332-G335 VanDerWaalsContact O-N 3.08Å; E333-G335 VanDerWaalsContact C-N 3.27Å; E333-G335 PolarHBondContact O-N 2.93Å
336D79.1Confident88.5Confident144 Ų14460.7 Ų60.777%0.7732%0.315SS*.SBendtrans-90.6-4-173.1-72.1-21.2000113.7E338D336-E338 PolarHBondContact O-N 2.96Å
337F84.6Confident88.6Confident40 Ų4056.3 Ų56.318%0.17529%0.287CS..PPolyproline II helixtrans-71.3130.4179.1-69.6-70.1000111.9E333 N465E333-F337 WeakPolarHBondContact O-CE2 3.48Å; F337-N465 HydrophobicContact CB-CB 3.87Å; F337-N465 HydrophobicContact CD1-CB 3.89Å; F337-N465 HydrophobicContact CD2-CB 3.88Å; F337-N465 WeakPolarHBondContact CD2-O 3.46Å; F337-N465 HydrophobicContact CE1-CB 4.42Å; F337-N465 HydrophobicContact CE2-CB 4.41Å; F337-N465 HydrophobicContact CG-CB 3.61Å
338E85.8Confident88.7Confident131 Ų13155.3 Ų55.361%0.61229%0.285SS*.PPolyproline II helixtrans-67.8168.1171.1-64-172.1-175.600111.9R185 D336 S340R185-E338 IonicContact CZ-OE2 3.41Å; R185-E338 IonicContact NE-OE2 3.6Å; R185-E338 IonicContact NH1-OE2 3.09Å; R185-E338 PolarHBondContact NH1-OE2 2.98Å; R185-E338 IonicContact NH2-OE2 3.66Å; D336-E338 PolarHBondContact O-N 2.96Å; E338-S340 PolarHBondContact O-N 3.27Å
339Q89.9Confident89Confident75 Ų7552.1 Ų52.135%0.3527%0.272SS..PPolyproline II helixtrans-55137.3174.1-179.8178.21.400111.4R185 Y575 L576 R577R185-Q339 VanDerWaalsContact CZ-O 3.24Å; R185-Q339 PolarHBondContact NH1-O 3.02Å; R185-Q339 PolarHBondContact NH2-O 3.09Å; Q339-Y575 HydrophobicContact CG-CD1 4.01Å; Q339-Y575 VanDerWaalsContact NE2-CG 3.34Å; Q339-L576 CarbonylContact C-O 3.53Å; Q339-L576 WeakPolarHBondContact CA-O 3.36Å; Q339-L576 WeakPolarHBondContact CG-O 3.43Å; Q339-R577 HydrophobicContact CB-CB 4.42Å
340S92.9Very high89.4Confident3 Ų344.9 Ų44.92%0.02124%0.239CC..EExtended strand (participates in β ladder)trans-127.9146.9176.9-62.90000111.4E338 N465 L576E338-S340 PolarHBondContact O-N 3.27Å; S340-N465 PolarHBondContact OG-ND2 3.46Å; S340-L576 PolarHBondContact N-O 3.31Å; S340-L576 PolarHBondContact O-N 3.01Å
341M95.7Very high90.1Very high0 Ų042 Ų420%022%0.22CC..EExtended strand (participates in β ladder)trans-104.7124.6173.4-175.7179.4167.800110.2W182 S183 G184 D370 P372 D373 V374 R573 L574 Y575W182-M341 HydrophobicContact CB-CE 4Å; W182-M341 HydrophobicContact CB-SD 4.41Å; W182-M341 HydrophobicContact CE3-CE 3.96Å; W182-M341 HydrophobicContact CE3-CG 4.35Å; W182-M341 HydrophobicContact CE3-SD 4.29Å; S183-M341 VanDerWaalsContact C-SD 3.51Å; G184-M341 PolarHBondContact N-SD 3.02Å; G184-M341 VanDerWaalsContact N-SD 3.36Å; M341-D370 HydrophobicContact CE-CB 3.97Å; M341-P372 HydrophobicContact CE-CB 4.4Å; M341-P372 HydrophobicContact CG-CB 4.16Å; M341-P372 HydrophobicContact SD-CB 4.33Å; M341-D373 PolarHBondContact N-OD2 2.92Å; M341-D373 PolarHBondContact O-N 3.37Å; M341-V374 PolarHBondContact O-N 2.81Å; M341-R573 HydrophobicContact CE-CB 3.86Å; M341-R573 HydrophobicContact CE-CG 4.43Å; M341-L574 CarbonylContact C-O 3.56Å; M341-L574 WeakPolarHBondContact CA-O 3.36Å; M341-Y575 HydrophobicContact CB-CD1 4.05Å; M341-Y575 HydrophobicContact CB-CE1 3.75Å; M341-Y575 HydrophobicContact CG-CD1 4.46Å; M341-Y575 HydrophobicContact CG-CE1 4.12Å; M341-Y575 HydrophobicContact SD-CE1 4.46Å
342V97.9Very high90.6Very high0 Ų041.2 Ų41.20%022%0.218CC..EExtended strand (participates in β ladder)trans-111.3125.5174-176.40000109.2V344 V374 I376 I464 F469 R573 L574 L576V342-V344 HydrophobicContact CG1-CG2 4.1Å; V342-V374 CarbonylContact C-O 3.6Å; V342-V374 WeakPolarHBondContact CA-O 3.08Å; V342-V374 HydrophobicContact CG1-CB 4.35Å; V342-V374 HydrophobicContact CG2-CB 4.28Å; V342-I376 HydrophobicContact CG1-CD1 3.89Å; V342-I376 HydrophobicContact CG1-CG1 4Å; V342-I464 HydrophobicContact CG1-CD1 4.41Å; V342-I464 HydrophobicContact CG2-CD1 4.2Å; V342-I464 HydrophobicContact CG2-CG2 4.36Å; V342-F469 HydrophobicContact CG2-CZ 4.28Å; V342-R573 CarbonylContact O-C 3.38Å; V342-R573 VanDerWaalsContact O-CA 3.3Å; V342-R573 WeakPolarHBondContact O-CA 3.19Å; V342-L574 HydrophobicContact CB-CB 4.48Å; V342-L574 PolarHBondContact N-O 2.99Å; V342-L574 PolarHBondContact O-N 3.48Å; V342-L576 HydrophobicContact CG2-CD1 3.62Å; V342-L576 HydrophobicContact CG2-CG 4.2Å
343L98.6Very high91.2Very high0 Ų034 Ų340%019%0.185CC..EExtended strand (participates in β ladder)trans-97.4139.2170-176.3148.1000109.3A345 L363 V366 I367 P372 V374 C375 I376 F571L343-A345 HydrophobicContact CD2-CB 4.48Å; L343-L363 HydrophobicContact CD2-CD1 4.09Å; L343-V366 HydrophobicContact CD1-CG1 4.12Å; L343-I367 HydrophobicContact CD1-CG1 4.09Å; L343-I367 HydrophobicContact CD2-CG1 4.29Å; L343-P372 HydrophobicContact CB-CB 3.89Å; L343-P372 HydrophobicContact CB-CG 3.86Å; L343-P372 HydrophobicContact CD1-CG 4.43Å; L343-V374 PolarHBondContact N-O 2.81Å; L343-C375 CarbonylContact O-C 3.1Å; L343-C375 WeakPolarHBondContact O-CA 3.39Å; L343-I376 PolarHBondContact O-N 3.49Å; L343-F571 HydrophobicContact CD1-CD2 3.99Å; L343-F571 HydrophobicContact CD1-CE2 3.94Å; L343-F571 HydrophobicContact CG-CD2 4.11Å; L343-F571 HydrophobicContact CG-CE2 4.49Å
344V98.8Very high91.9Very high0 Ų027.2 Ų27.20%015%0.153CC..EExtended strand (participates in β ladder)trans-131.8126.8-178.4178.60000109.5V342 I376 F378 I539 P559 F571 A572 L574V342-V344 HydrophobicContact CG1-CG2 4.1Å; V344-I376 WeakPolarHBondContact CA-O 3.29Å; V344-I376 HydrophobicContact CG2-CB 4.35Å; V344-I376 HydrophobicContact CG2-CD1 4.4Å; V344-F378 HydrophobicContact CG1-CD2 4.27Å; V344-F378 HydrophobicContact CG1-CE2 3.84Å; V344-I539 HydrophobicContact CG1-CG2 3.6Å; V344-I539 HydrophobicContact CG2-CD1 4.24Å; V344-P559 HydrophobicContact CG1-CB 4.39Å; V344-P559 HydrophobicContact CG1-CG 4.07Å; V344-F571 WeakPolarHBondContact O-CB 3.43Å; V344-A572 PolarHBondContact N-O 3.01Å; V344-A572 PolarHBondContact O-N 3.37Å; V344-L574 HydrophobicContact CB-CD1 4.43Å; V344-L574 HydrophobicContact CG2-CD1 3.6Å
345A98.8Very high92.6Very high0 Ų030.8 Ų30.80%017%0.172CC..EExtended strand (participates in β ladder)trans-139.2153.3174.100000110.9L343 Y349 L363 I376 L377 F378 L562 F571L343-A345 HydrophobicContact CD2-CB 4.48Å; A345-Y349 PolarHBondContact O-OH 3.15Å; A345-L363 HydrophobicContact CB-CD1 4.21Å; A345-L363 HydrophobicContact CB-CD2 3.75Å; A345-I376 PolarHBondContact N-O 3.1Å; A345-L377 HydrophobicContact CB-CD2 3.93Å; A345-L377 WeakPolarHBondContact O-CA 3.14Å; A345-F378 WeakPolarHBondContact O-CD2 3.5Å; A345-F378 PolarHBondContact O-N 2.62Å; A345-L562 HydrophobicContact CB-CD1 4.35Å; A345-F571 HydrophobicContact CB-CB 4.06Å
346C98.8Very high93.6Very high0 Ų031.5 Ų31.50%017%0.168CC..EExtended strand (participates in β ladder)trans-135136.7179.7179.20000110.2F378 G379 P541 R561 L562C346-F378 WeakPolarHBondContact CA-O 3.14Å; C346-F378 HydrophobicContact CB-CB 3.81Å; C346-F378 HydrophobicContact CB-CG 4.49Å; C346-G379 PolarHBondContact SG-O 3.35Å; C346-P541 HydrophobicContact CB-CB 3.66Å; C346-P541 HydrophobicContact CB-CG 3.84Å; C346-P541 VanDerWaalsContact SG-CB 3.54Å; C346-R561 PolarHBondContact SG-NH1 3.3Å; C346-L562 VanDerWaalsContact O-CB 3.27Å; C346-L562 WeakPolarHBondContact O-CB 3.34Å; C346-L562 PolarHBondContact O-N 3.43Å
347G98.1Very high94.4Very high0 Ų026.2 Ų26.20%014%0.137CC..SBendtrans-59.8167.8176.900000112.8Y349 F378 G379 R561G347-Y349 VanDerWaalsContact N-CE2 3.35Å; G347-F378 PolarHBondContact N-O 3.5Å; G347-G379 PolarHBondContact N-O 3.5Å; G347-R561 WeakPolarHBondContact O-CD 3.44Å
348P98.5Very high95Very high22 Ų2225.9 Ų25.914%0.14314%0.137CC..  cis-73.4145.310.8-20.735.2000114.1P380 D383 T563P348-P380 HydrophobicContact CG-CG 4.41Å; P348-D383 VanDerWaalsContact CG-OD2 3.28Å; P348-D383 WeakPolarHBondContact CG-OD2 3.39Å; P348-T563 VanDerWaalsContact O-CB 3.23Å; P348-T563 WeakPolarHBondContact O-CB 3.24Å; P348-T563 PolarHBondContact O-N 3.31Å; P348-T563 PolarHBondContact O-OG1 2.89Å
349Y98.4Very high95.6Very high2 Ų219.7 Ų19.71%0.00811%0.108CC..  trans-97.46.6-178.5-66-87.4000114.1A345 G347 L360 L363 F378 P380 F381 L562A345-Y349 PolarHBondContact O-OH 3.15Å; G347-Y349 VanDerWaalsContact N-CE2 3.35Å; Y349-L360 HydrophobicContact CD1-CD1 3.53Å; Y349-L360 HydrophobicContact CE1-CD1 4.24Å; Y349-L360 HydrophobicContact CG-CD1 4.01Å; Y349-L360 PolarHBondContact O-N 2.74Å; Y349-L363 HydrophobicContact CD1-CD2 4.27Å; Y349-L363 HydrophobicContact CE1-CD2 3.81Å; Y349-F378 WeakPolarHBondContact CE2-O 3.33Å; Y349-F378 PolarHBondContact OH-N 3.34Å; Y349-F378 PolarHBondContact OH-O 2.87Å; Y349-P380 WeakPolarHBondContact CD2-O 3.35Å; Y349-F381 AromaticContact CD2-CD1 3.79Å; Y349-F381 HydrophobicContact CD2-CD1 3.79Å; Y349-F381 HydrophobicContact CD2-CE1 4.12Å; Y349-F381 HydrophobicContact CD2-CG 4.48Å; Y349-F381 AromaticContact CE2-CD1 3.58Å; Y349-F381 HydrophobicContact CE2-CD1 3.58Å; Y349-F381 AromaticContact CE2-CE1 3.47Å; Y349-F381 HydrophobicContact CE2-CE1 3.47Å; Y349-F381 VanDerWaalsContact CE2-CE1 3.47Å; Y349-F381 HydrophobicContact CE2-CG 4.3Å; Y349-F381 HydrophobicContact CE2-CZ 4.11Å; Y349-F381 AromaticContact CZ-CE1 3.77Å; Y349-L562 HydrophobicContact CD1-CD2 3.36Å; Y349-L562 HydrophobicContact CE1-CD2 3.79Å; Y349-L562 HydrophobicContact CG-CD2 4.32Å
350T96.9Very high96Very high13 Ų1316.2 Ų16.28%0.089%0.092CC..SBendtrans-136.8158.8173.9-166.60000109.5S354 Y357 T563T350-S354 WeakPolarHBondContact CG2-O 2.96Å; T350-S354 PolarHBondContact OG1-O 3.32Å; T350-Y357 PolarHBondContact OG1-N 3.44Å; T350-T563 WeakPolarHBondContact O-CG2 3.4Å
351T96.6Very high96.2Very high0 Ų020.2 Ų20.20%011%0.113CC..  trans-75.1154.5174.760.60000111S158 Y161 D353 S354 P359 H386 T563 G565S158-T351 PolarHBondContact OG-OG1 2.84Å; Y161-T351 HydrophobicContact CD2-CG2 4.29Å; Y161-T351 HydrophobicContact CG-CG2 3.96Å; T351-D353 WeakPolarHBondContact CB-OD1 3.32Å; T351-D353 PolarHBondContact O-N 3.43Å; T351-D353 VanDerWaalsContact O-N 3.08Å; T351-D353 PolarHBondContact OG1-OD1 3.48Å; T351-S354 PolarHBondContact O-N 3.24Å; T351-S354 VanDerWaalsContact O-N 3.16Å; T351-S354 WeakPolarHBondContact OG1-CB 3.39Å; T351-P359 HydrophobicContact CG2-CG 4.31Å; T351-H386 PolarHBondContact O-NE2 2.87Å; T351-T563 HydrophobicContact CG2-CG2 3.84Å; T351-G565 WeakPolarHBondContact CA-O 3.47Å
352S93.9Very high96.4Very high53 Ų5321.5 Ų21.537%0.37112%0.119SC..THydrogen-bonded Turntrans-64.7-15.4-175.862.90000114.7G565S352-G565 PolarHBondContact N-O 3.22Å; S352-G565 VanDerWaalsContact OG-C 3.28Å
353D90.4Very high96.4Very high36 Ų3621.6 Ų21.619%0.19312%0.12CC..THydrogen-bonded Turntrans-103.86.7-178.763-18000113.2T351 Q566T351-D353 WeakPolarHBondContact CB-OD1 3.32Å; T351-D353 PolarHBondContact O-N 3.43Å; T351-D353 VanDerWaalsContact O-N 3.08Å; T351-D353 PolarHBondContact OG1-OD1 3.48Å; D353-Q566 HydrophobicContact CB-CG 4.28Å
354S91.1Very high96.4Very high1 Ų122.2 Ų22.21%0.00712%0.123CC..  trans-153.8151.3-166-168.10000113P157 S158 T350 T351 T356 H386P157-S354 VanDerWaalsContact CB-OG 3.31Å; P157-S354 WeakPolarHBondContact CB-OG 3.44Å; S158-S354 WeakPolarHBondContact OG-CB 3.43Å; S158-S354 PolarHBondContact OG-OG 2.76Å; T350-S354 WeakPolarHBondContact CG2-O 2.96Å; T350-S354 PolarHBondContact OG1-O 3.32Å; T351-S354 PolarHBondContact O-N 3.24Å; T351-S354 VanDerWaalsContact O-N 3.16Å; T351-S354 WeakPolarHBondContact OG1-CB 3.39Å; S354-T356 WeakPolarHBondContact OG-CG2 3.39Å; S354-T356 PolarHBondContact OG-N 3.25Å; S354-T356 PolarHBondContact OG-OG1 3.29Å; S354-H386 PolarHBondContact O-NE2 2.96Å
355I90.9Very high96.4Very high82 Ų8224.3 Ų24.342%0.42114%0.141SC..SBendtrans-118.82317459166.8000111.7Y357 L394I355-Y357 VanDerWaalsContact O-CD2 3.27Å; I355-Y357 WeakPolarHBondContact O-CD2 3.16Å; I355-L394 HydrophobicContact CD1-CD2 3.98Å; I355-L394 HydrophobicContact CG2-CD2 4.18Å
356T90Very high96.3Very high60 Ų6025.4 Ų25.437%0.36815%0.147SC..SBendtrans-81.9-16.6-17851.80000113.2P157 S158 S354 D358P157-T356 HydrophobicContact CB-CG2 4.29Å; S158-T356 PolarHBondContact OG-OG1 3.04Å; S354-T356 WeakPolarHBondContact OG-CG2 3.39Å; S354-T356 PolarHBondContact OG-N 3.25Å; S354-T356 PolarHBondContact OG-OG1 3.29Å; T356-D358 PolarHBondContact O-N 3.41Å; T356-D358 PolarHBondContact OG1-OD2 3.38Å
357Y96.4Very high96.3Very high32 Ų3225.5 Ų25.513%0.12515%0.147CC..  trans5732.2-178-68.5-98.3000113.5T350 I355 P359 L360 L361 F381 C405T350-Y357 PolarHBondContact OG1-N 3.44Å; I355-Y357 VanDerWaalsContact O-CD2 3.27Å; I355-Y357 WeakPolarHBondContact O-CD2 3.16Å; Y357-P359 VanDerWaalsContact C-CD 3.43Å; Y357-P359 VanDerWaalsContact C-N 3.3Å; Y357-L360 HydrophobicContact CD1-CB 4.32Å; Y357-L360 HydrophobicContact CD1-CD2 3.94Å; Y357-L360 HydrophobicContact CG-CD2 4.38Å; Y357-L360 WeakPolarHBondContact O-CA 3.46Å; Y357-L360 WeakPolarHBondContact O-CB 3.35Å; Y357-L360 PolarHBondContact O-N 3.38Å; Y357-L361 PolarHBondContact O-N 2.74Å; Y357-L361 VanDerWaalsContact O-N 3.12Å; Y357-F381 WeakPolarHBondContact CE1-O 3.23Å; Y357-F381 PolarHBondContact OH-O 3.06Å; Y357-C405 HydrophobicContact CE1-CB 4.46Å
358D96.7Very high96.2Very high34 Ų3427.6 Ų27.618%0.18216%0.159CC..Hα-helixtrans-51.5-42.4176.2-59.5-45.9000113S158 Y161 N162 T356 L360 L361 D362S158-D358 WeakPolarHBondContact CB-OD2 3.35Å; S158-D358 PolarHBondContact OG-OD2 2.92Å; Y161-D358 HydrophobicContact CD1-CB 3.74Å; Y161-D358 HydrophobicContact CE1-CB 3.69Å; N162-D358 PolarHBondContact ND2-OD2 2.77Å; T356-D358 PolarHBondContact O-N 3.41Å; T356-D358 PolarHBondContact OG1-OD2 3.38Å; D358-L360 VanDerWaalsContact C-N 3.29Å; D358-L360 PolarHBondContact O-N 2.91Å; D358-L361 PolarHBondContact O-N 3.46Å; D358-D362 PolarHBondContact O-N 3.33Å
359P97.9Very high96.1Very high0 Ų033.6 Ų33.60%019%0.185CC..Hα-helixtrans-61.7-33.5174.9-19.731.4000114.8Y161 T351 Y357 L363 L562 T563Y161-P359 HydrophobicContact CD1-CG 4.19Å; Y161-P359 HydrophobicContact CD2-CG 3.95Å; Y161-P359 HydrophobicContact CE1-CB 4.35Å; Y161-P359 HydrophobicContact CE1-CG 3.9Å; Y161-P359 HydrophobicContact CE2-CB 3.93Å; Y161-P359 HydrophobicContact CE2-CG 3.66Å; Y161-P359 HydrophobicContact CG-CG 4.24Å; Y161-P359 VanDerWaalsContact OH-CA 3.28Å; Y161-P359 WeakPolarHBondContact OH-CA 3.39Å; T351-P359 HydrophobicContact CG2-CG 4.31Å; Y357-P359 VanDerWaalsContact C-CD 3.43Å; Y357-P359 VanDerWaalsContact C-N 3.3Å; P359-L363 WeakPolarHBondContact O-CB 3.13Å; P359-L363 PolarHBondContact O-N 3.47Å; P359-L562 HydrophobicContact CB-CD2 4.21Å; P359-L562 HydrophobicContact CB-CG 4.47Å; P359-T563 HydrophobicContact CG-CG2 4.3Å; P359-T563 WeakPolarHBondContact CG-OG1 3.3Å
360L98.4Very high95.9Very high3 Ų334.1 Ų34.12%0.01619%0.187CC..Hα-helixtrans-65.4-44.8174.8-172.662.5000111.5Y349 Y357 D358 D362 L363 I364 C405 I409Y349-L360 HydrophobicContact CD1-CD1 3.53Å; Y349-L360 HydrophobicContact CE1-CD1 4.24Å; Y349-L360 HydrophobicContact CG-CD1 4.01Å; Y349-L360 PolarHBondContact O-N 2.74Å; Y357-L360 HydrophobicContact CD1-CB 4.32Å; Y357-L360 HydrophobicContact CD1-CD2 3.94Å; Y357-L360 HydrophobicContact CG-CD2 4.38Å; Y357-L360 WeakPolarHBondContact O-CA 3.46Å; Y357-L360 WeakPolarHBondContact O-CB 3.35Å; Y357-L360 PolarHBondContact O-N 3.38Å; D358-L360 VanDerWaalsContact C-N 3.29Å; D358-L360 PolarHBondContact O-N 2.91Å; L360-D362 VanDerWaalsContact C-N 3.33Å; L360-L363 WeakPolarHBondContact O-CB 3.24Å; L360-L363 PolarHBondContact O-N 3.13Å; L360-I364 HydrophobicContact CG-CD1 4.16Å; L360-I364 WeakPolarHBondContact O-CG1 3.3Å; L360-I364 PolarHBondContact O-N 3.32Å; L360-C405 VanDerWaalsContact CD2-SG 3.59Å; L360-I409 HydrophobicContact CD1-CD1 3.79Å; L360-I409 HydrophobicContact CD1-CG1 3.67Å; L360-I409 HydrophobicContact CD2-CD1 4.39Å; L360-I409 HydrophobicContact CD2-CG1 4.04Å; L360-I409 HydrophobicContact CG-CG1 4.15Å
361L98.3Very high95.9Very high87 Ų8737.9 Ų37.946%0.45520%0.2SC..Hα-helixtrans-64.5-41.1-179.9-61.9179.1000110.9Y357 D358 L363 I364 A365 T408Y357-L361 PolarHBondContact O-N 2.74Å; Y357-L361 VanDerWaalsContact O-N 3.12Å; D358-L361 PolarHBondContact O-N 3.46Å; L361-L363 VanDerWaalsContact C-N 3.33Å; L361-I364 HydrophobicContact CD2-CD1 4.45Å; L361-I364 PolarHBondContact O-N 2.99Å; L361-A365 PolarHBondContact O-N 3.19Å; L361-T408 HydrophobicContact CD2-CG2 3.97Å
362D98.3Very high95.9Very high26 Ų2637.9 Ų37.914%0.13920%0.2CC..Hα-helixtrans-64.7-37173.6-84.4-37.1000112.2Y161 R164 R167 D358 L360 A365 V366 I598Y161-D362 WeakPolarHBondContact OH-CB 3.42Å; Y161-D362 PolarHBondContact OH-OD2 2.99Å; Y161-D362 VanDerWaalsContact OH-OD2 3.06Å; R164-D362 IonicContact CZ-OD2 3.64Å; R164-D362 IonicContact NH1-OD2 2.77Å; R164-D362 PolarHBondContact NH1-OD2 3.45Å; R164-D362 IonicContact NH2-OD2 3.99Å; R164-D362 PolarHBondContact NH2-OD2 3.03Å; R167-D362 IonicContact CZ-OD1 3.05Å; R167-D362 IonicContact NH1-OD1 3.52Å; R167-D362 PolarHBondContact NH1-OD1 2.83Å; R167-D362 IonicContact NH1-OD2 2.67Å; R167-D362 IonicContact NH2-OD1 3.48Å; R167-D362 PolarHBondContact NH2-OD1 2.89Å; D358-D362 PolarHBondContact O-N 3.33Å; L360-D362 VanDerWaalsContact C-N 3.33Å; D362-A365 WeakPolarHBondContact O-CB 3.34Å; D362-A365 PolarHBondContact O-N 2.77Å; D362-V366 WeakPolarHBondContact O-CG2 3.27Å; D362-V366 PolarHBondContact O-N 2.79Å; D362-I598 HydrophobicContact CB-CD1 4.39Å; D362-I598 HydrophobicContact CB-CG1 4.21Å
363L98.6Very high96Very high2 Ų235.5 Ų35.51%0.0118%0.183CC..Hα-helixtrans-64.1-43.5173.5179.465.5000112L343 A345 Y349 P359 L360 L361 A365 V366 I367 L377 L562 I598L343-L363 HydrophobicContact CD2-CD1 4.09Å; A345-L363 HydrophobicContact CB-CD1 4.21Å; A345-L363 HydrophobicContact CB-CD2 3.75Å; Y349-L363 HydrophobicContact CD1-CD2 4.27Å; Y349-L363 HydrophobicContact CE1-CD2 3.81Å; P359-L363 WeakPolarHBondContact O-CB 3.13Å; P359-L363 PolarHBondContact O-N 3.47Å; L360-L363 WeakPolarHBondContact O-CB 3.24Å; L360-L363 PolarHBondContact O-N 3.13Å; L361-L363 VanDerWaalsContact C-N 3.33Å; L363-A365 VanDerWaalsContact C-N 3.28Å; L363-A365 PolarHBondContact O-N 3.35Å; L363-V366 WeakPolarHBondContact O-CB 3.09Å; L363-V366 PolarHBondContact O-N 3.05Å; L363-V366 VanDerWaalsContact O-N 3.13Å; L363-I367 HydrophobicContact CD1-CD1 4.48Å; L363-I367 HydrophobicContact CG-CD1 4.07Å; L363-I367 WeakPolarHBondContact O-CG1 3.45Å; L363-I367 PolarHBondContact O-N 3.1Å; L363-L377 HydrophobicContact CD2-CD2 3.99Å; L363-L562 HydrophobicContact CB-CD2 4.18Å; L363-L562 HydrophobicContact CD1-CD1 4.36Å; L363-L562 HydrophobicContact CD2-CD1 4.46Å; L363-L562 HydrophobicContact CD2-CD2 3.9Å; L363-I598 HydrophobicContact CB-CD1 4.18Å; L363-I598 HydrophobicContact CD1-CD1 4.33Å
364I98.6Very high96.4Very high14 Ų1433.8 Ų33.87%0.07217%0.174CC..Hα-helixtrans-59.6-41.6175.3-69.7163.7000110.5L360 L361 V366 I367 N368 T408 I409 G412 T413L360-I364 HydrophobicContact CG-CD1 4.16Å; L360-I364 WeakPolarHBondContact O-CG1 3.3Å; L360-I364 PolarHBondContact O-N 3.32Å; L361-I364 HydrophobicContact CD2-CD1 4.45Å; L361-I364 PolarHBondContact O-N 2.99Å; I364-V366 VanDerWaalsContact C-N 3.33Å; I364-V366 PolarHBondContact O-N 3.35Å; I364-I367 PolarHBondContact O-N 2.97Å; I364-N368 PolarHBondContact O-N 3.3Å; I364-N368 PolarHBondContact O-ND2 2.89Å; I364-N368 VanDerWaalsContact O-ND2 3.1Å; I364-T408 HydrophobicContact CD1-CG2 3.91Å; I364-I409 HydrophobicContact CD1-CG1 4.5Å; I364-G412 WeakPolarHBondContact CG2-O 3.41Å; I364-T413 HydrophobicContact CB-CG2 4.44Å; I364-T413 HydrophobicContact CG1-CG2 4.23Å; I364-T413 HydrophobicContact CG2-CG2 4.03Å
365A98.1Very high96.7Very high44 Ų4433.7 Ų33.736%0.36417%0.174SC..Hα-helixtrans-61.3-41.6175.300000112L361 D362 L363 N368 H369L361-A365 PolarHBondContact O-N 3.19Å; D362-A365 WeakPolarHBondContact O-CB 3.34Å; D362-A365 PolarHBondContact O-N 2.77Å; L363-A365 VanDerWaalsContact C-N 3.28Å; L363-A365 PolarHBondContact O-N 3.35Å; A365-N368 PolarHBondContact O-N 3.29Å; A365-H369 WeakPolarHBondContact O-CB 3.49Å; A365-H369 PolarHBondContact O-N 2.9Å
366V97.5Very high97.1Very high23 Ų2329.8 Ų29.814%0.13915%0.154CC..Hα-helixtrans-63-45.8174.3171.20000111.4L343 D362 L363 I364 N368 H369 D370 F571 I598L343-V366 HydrophobicContact CD1-CG1 4.12Å; D362-V366 WeakPolarHBondContact O-CG2 3.27Å; D362-V366 PolarHBondContact O-N 2.79Å; L363-V366 WeakPolarHBondContact O-CB 3.09Å; L363-V366 PolarHBondContact O-N 3.05Å; L363-V366 VanDerWaalsContact O-N 3.13Å; I364-V366 VanDerWaalsContact C-N 3.33Å; I364-V366 PolarHBondContact O-N 3.35Å; V366-N368 VanDerWaalsContact C-N 3.32Å; V366-N368 PolarHBondContact O-N 3.01Å; V366-H369 PolarHBondContact O-N 2.77Å; V366-D370 WeakPolarHBondContact O-CB 3.36Å; V366-D370 PolarHBondContact O-N 2.72Å; V366-F571 HydrophobicContact CG1-CE1 4.47Å; V366-F571 HydrophobicContact CG1-CE2 3.94Å; V366-F571 HydrophobicContact CG1-CZ 3.69Å; V366-I598 HydrophobicContact CG2-CD1 3.95Å
367I98Very high97.5Very high1 Ų127 Ų271%0.00514%0.136CC..Hα-helixtrans-60-43.3178.5-67.9166.6000110.8L343 L363 I364 H369 R371 P372 C375 T413L343-I367 HydrophobicContact CD1-CG1 4.09Å; L343-I367 HydrophobicContact CD2-CG1 4.29Å; L363-I367 HydrophobicContact CD1-CD1 4.48Å; L363-I367 HydrophobicContact CG-CD1 4.07Å; L363-I367 WeakPolarHBondContact O-CG1 3.45Å; L363-I367 PolarHBondContact O-N 3.1Å; I364-I367 PolarHBondContact O-N 2.97Å; I367-H369 VanDerWaalsContact C-N 3.35Å; I367-R371 VanDerWaalsContact O-CA 3.28Å; I367-R371 WeakPolarHBondContact O-CA 3.43Å; I367-R371 PolarHBondContact O-N 2.97Å; I367-P372 HydrophobicContact CG2-CG 4.31Å; I367-P372 WeakPolarHBondContact O-CD 3.35Å; I367-C375 HydrophobicContact CD1-CB 4.48Å; I367-T413 HydrophobicContact CB-CG2 4.07Å; I367-T413 HydrophobicContact CD1-CG2 4.1Å; I367-T413 HydrophobicContact CG2-CG2 3.71Å
368N97.3Very high97.6Very high44 Ų4425.5 Ų25.524%0.23513%0.13CC..Hα-helixtrans-68.2-33.8177.9-73.1-43.4000113.2I364 A365 V366 R371 G412 S415I364-N368 PolarHBondContact O-N 3.3Å; I364-N368 PolarHBondContact O-ND2 2.89Å; I364-N368 VanDerWaalsContact O-ND2 3.1Å; A365-N368 PolarHBondContact O-N 3.29Å; V366-N368 VanDerWaalsContact C-N 3.32Å; V366-N368 PolarHBondContact O-N 3.01Å; N368-R371 VanDerWaalsContact O-CG 3.29Å; N368-R371 WeakPolarHBondContact O-CG 3.35Å; N368-G412 PolarHBondContact ND2-O 3.4Å; N368-G412 PolarHBondContact OD1-O 3.01Å; N368-S415 PolarHBondContact OD1-OG 3.33Å
369H95.6Very high97.7Very high149 Ų14923.9 Ų23.969%0.6912%0.122SC*.Hα-helixtrans-73.3-54.3177.9177-86.5000112A365 V366 I367A365-H369 WeakPolarHBondContact O-CB 3.49Å; A365-H369 PolarHBondContact O-N 2.9Å; V366-H369 PolarHBondContact O-N 2.77Å; I367-H369 VanDerWaalsContact C-N 3.35Å
370D95.2Very high97.8Very high12 Ų1223.9 Ų23.96%0.06412%0.122CC..Hα-helixtrans-77.8-24.2-175-71.712.2000111.7S183 G184 M341 V366 R573S183-D370 CarbonylContact C-O 3.52Å; S183-D370 WeakPolarHBondContact CA-O 3.28Å; S183-D370 PolarHBondContact OG-O 2.9Å; S183-D370 VanDerWaalsContact OG-O 3.11Å; G184-D370 PolarHBondContact N-O 3.44Å; M341-D370 HydrophobicContact CE-CB 3.97Å; V366-D370 WeakPolarHBondContact O-CB 3.36Å; V366-D370 PolarHBondContact O-N 2.72Å; D370-R573 IonicContact OD2-NH1 2.9Å; D370-R573 PolarHBondContact OD2-NH1 2.85Å
371R96.1Very high97.8Very high93 Ų9323.9 Ų23.935%0.35112%0.122SC..  trans49.255.3-178.7-55.117965.183.14.7113G184 G186 I367 N368 S415 S416G184-R371 CarbonylContact C-O 3.56Å; G184-R371 WeakPolarHBondContact CA-O 3.23Å; G184-R371 PolarHBondContact N-O 3.41Å; G186-R371 WeakPolarHBondContact CA-O 3.41Å; G186-R371 PolarHBondContact N-O 2.67Å; I367-R371 VanDerWaalsContact O-CA 3.28Å; I367-R371 WeakPolarHBondContact O-CA 3.43Å; I367-R371 PolarHBondContact O-N 2.97Å; N368-R371 VanDerWaalsContact O-CG 3.29Å; N368-R371 WeakPolarHBondContact O-CG 3.35Å; R371-S415 PolarHBondContact NH1-O 3.25Å; R371-S415 PolarHBondContact NH2-O 2.94Å; R371-S416 VanDerWaalsContact CZ-O 3.23Å; R371-S416 PolarHBondContact NH2-O 3.06Å
372P96.4Very high97.7Very high0 Ų020.1 Ų20.10%010%0.102CC..  trans-59.2153.5177.230.3-37.2000111M341 L343 I367 V374 C375 S418M341-P372 HydrophobicContact CE-CB 4.4Å; M341-P372 HydrophobicContact CG-CB 4.16Å; M341-P372 HydrophobicContact SD-CB 4.33Å; L343-P372 HydrophobicContact CB-CB 3.89Å; L343-P372 HydrophobicContact CB-CG 3.86Å; L343-P372 HydrophobicContact CD1-CG 4.43Å; I367-P372 HydrophobicContact CG2-CG 4.31Å; I367-P372 WeakPolarHBondContact O-CD 3.35Å; P372-V374 VanDerWaalsContact C-N 3.34Å; P372-C375 WeakPolarHBondContact CG-SG 3.28Å; P372-S418 WeakPolarHBondContact O-CA 3.26Å; P372-S418 WeakPolarHBondContact O-CB 3.34Å; P372-S418 PolarHBondContact O-OG 2.95Å
373D96.4Very high97.7Very high2 Ų219.7 Ų19.71%0.01110%0.1CC..SBendtrans-71.1-35.2177.6-56.3-99.9000111.2G184 R185 G186 I191 M341 H419G184-D373 WeakPolarHBondContact CA-OD2 3.14Å; R185-D373 PolarHBondContact N-OD1 2.85Å; R185-D373 IonicContact NH2-OD1 2.8Å; G186-D373 WeakPolarHBondContact O-CA 3.33Å; I191-D373 HydrophobicContact CD1-CB 3.81Å; I191-D373 HydrophobicContact CG1-CB 4.47Å; M341-D373 PolarHBondContact N-OD2 2.92Å; M341-D373 PolarHBondContact O-N 3.37Å; D373-H419 PolarHBondContact O-N 3.45Å
374V98.1Very high97.7Very high0 Ų021.3 Ų21.30%011%0.113CC..EExtended strand (participates in β ladder)trans-137.7137.7178.7-173.30000110.4I191 L193 M341 V342 L343 P372 I376 H419 V421 I464I191-V374 HydrophobicContact CG2-CG2 4.09Å; L193-V374 HydrophobicContact CD2-CG1 4.33Å; L193-V374 HydrophobicContact CD2-CG2 3.98Å; M341-V374 PolarHBondContact O-N 2.81Å; V342-V374 CarbonylContact C-O 3.6Å; V342-V374 WeakPolarHBondContact CA-O 3.08Å; V342-V374 HydrophobicContact CG1-CB 4.35Å; V342-V374 HydrophobicContact CG2-CB 4.28Å; L343-V374 PolarHBondContact N-O 2.81Å; P372-V374 VanDerWaalsContact C-N 3.34Å; V374-I376 HydrophobicContact CG1-CG1 4.23Å; V374-H419 CarbonylContact C-O 3.57Å; V374-H419 WeakPolarHBondContact CA-O 3.41Å; V374-H419 HydrophobicContact CG2-CB 4.48Å; V374-V421 HydrophobicContact CG1-CG2 3.97Å; V374-I464 HydrophobicContact CG1-CD1 4.25Å; V374-I464 HydrophobicContact CG2-CG2 3.98Å
375C98.5Very high97.6Very high0 Ų026.1 Ų26.10%013%0.134CC..EExtended strand (participates in β ladder)trans-115.8117.4169.7-630000109.6L343 I367 P372 H419 L420 V421L343-C375 CarbonylContact O-C 3.1Å; L343-C375 WeakPolarHBondContact O-CA 3.39Å; I367-C375 HydrophobicContact CD1-CB 4.48Å; P372-C375 WeakPolarHBondContact CG-SG 3.28Å; C375-H419 PolarHBondContact N-O 3.3Å; C375-L420 HydrophobicContact CB-CD2 3.8Å; C375-V421 PolarHBondContact O-N 3.06Å
376I98.9Very high97.5Very high0 Ų024.7 Ų24.70%012%0.12CC..EExtended strand (participates in β ladder)trans-99.7114.8173.3-47177.5000108.3V342 L343 V344 A345 V374 F378 V421 V423 I464 F469 L471V342-I376 HydrophobicContact CG1-CD1 3.89Å; V342-I376 HydrophobicContact CG1-CG1 4Å; L343-I376 PolarHBondContact O-N 3.49Å; V344-I376 WeakPolarHBondContact CA-O 3.29Å; V344-I376 HydrophobicContact CG2-CB 4.35Å; V344-I376 HydrophobicContact CG2-CD1 4.4Å; A345-I376 PolarHBondContact N-O 3.1Å; V374-I376 HydrophobicContact CG1-CG1 4.23Å; I376-F378 HydrophobicContact CB-CE2 4.24Å; I376-F378 HydrophobicContact CG2-CD2 4.1Å; I376-F378 HydrophobicContact CG2-CE2 3.46Å; I376-F378 VanDerWaalsContact CG2-CE2 3.46Å; I376-F378 HydrophobicContact CG2-CZ 3.97Å; I376-V421 CarbonylContact C-O 3.56Å; I376-V421 WeakPolarHBondContact CA-O 3.35Å; I376-V421 HydrophobicContact CG1-CB 4.38Å; I376-V421 HydrophobicContact CG2-CB 4.44Å; I376-V421 HydrophobicContact CG2-CG1 4.4Å; I376-V423 HydrophobicContact CG2-CG2 3.83Å; I376-I464 HydrophobicContact CD1-CD1 3.98Å; I376-F469 HydrophobicContact CD1-CD1 4.23Å; I376-L471 HydrophobicContact CD1-CD2 3.94Å; I376-L471 HydrophobicContact CG2-CD1 4.19Å; I376-L471 HydrophobicContact CG2-CD2 4.34Å
377L98.9Very high97.3Very high1 Ų129.6 Ų29.61%0.00514%0.141CC..EExtended strand (participates in β ladder)trans-115109.8-174.9-58.2-178.5000109.3A345 L363 F381 I409 V421 F422 V423A345-L377 HydrophobicContact CB-CD2 3.93Å; A345-L377 WeakPolarHBondContact O-CA 3.14Å; L363-L377 HydrophobicContact CD2-CD2 3.99Å; L377-F381 HydrophobicContact CB-CE1 4.25Å; L377-F381 HydrophobicContact CB-CZ 3.93Å; L377-I409 HydrophobicContact CD1-CD1 4.37Å; L377-I409 HydrophobicContact CD1-CG2 3.68Å; L377-V421 PolarHBondContact N-O 3.39Å; L377-F422 HydrophobicContact CB-CD1 4.22Å; L377-F422 HydrophobicContact CB-CE1 4.34Å; L377-F422 HydrophobicContact CD1-CD1 4.48Å; L377-F422 HydrophobicContact CD1-CE1 3.8Å; L377-F422 HydrophobicContact CD1-CZ 4.23Å; L377-V423 PolarHBondContact O-N 3.23Å
378F98.9Very high97.1Very high0 Ų031.4 Ų31.40%015%0.149CC..EExtended strand (participates in β ladder)trans-88.3142177.1-64.4-104.2000110.1V344 A345 C346 G347 Y349 I376 V423 L471 T472 I539 P541V344-F378 HydrophobicContact CG1-CD2 4.27Å; V344-F378 HydrophobicContact CG1-CE2 3.84Å; A345-F378 WeakPolarHBondContact O-CD2 3.5Å; A345-F378 PolarHBondContact O-N 2.62Å; C346-F378 WeakPolarHBondContact CA-O 3.14Å; C346-F378 HydrophobicContact CB-CB 3.81Å; C346-F378 HydrophobicContact CB-CG 4.49Å; G347-F378 PolarHBondContact N-O 3.5Å; Y349-F378 WeakPolarHBondContact CE2-O 3.33Å; Y349-F378 PolarHBondContact OH-N 3.34Å; Y349-F378 PolarHBondContact OH-O 2.87Å; I376-F378 HydrophobicContact CB-CE2 4.24Å; I376-F378 HydrophobicContact CG2-CD2 4.1Å; I376-F378 HydrophobicContact CG2-CE2 3.46Å; I376-F378 VanDerWaalsContact CG2-CE2 3.46Å; I376-F378 HydrophobicContact CG2-CZ 3.97Å; F378-V423 CarbonylContact C-O 3.6Å; F378-V423 WeakPolarHBondContact CA-O 3.15Å; F378-V423 HydrophobicContact CD1-CB 3.75Å; F378-V423 HydrophobicContact CD1-CG1 3.76Å; F378-V423 HydrophobicContact CD1-CG2 4.12Å; F378-V423 HydrophobicContact CE1-CB 4.1Å; F378-V423 HydrophobicContact CE1-CG1 3.92Å; F378-V423 HydrophobicContact CE1-CG2 4.04Å; F378-V423 HydrophobicContact CG-CB 4.17Å; F378-V423 HydrophobicContact CG-CG2 4.45Å; F378-V423 HydrophobicContact CZ-CG2 4.29Å; F378-L471 HydrophobicContact CE1-CB 4.02Å; F378-L471 HydrophobicContact CZ-CB 3.96Å; F378-L471 HydrophobicContact CZ-CD2 3.9Å; F378-L471 HydrophobicContact CZ-CG 4.44Å; F378-T472 WeakPolarHBondContact CE1-O 3.44Å; F378-I539 HydrophobicContact CE1-CG2 4.45Å; F378-I539 HydrophobicContact CE2-CB 4.34Å; F378-I539 HydrophobicContact CE2-CG2 3.52Å; F378-I539 HydrophobicContact CZ-CB 3.89Å; F378-I539 HydrophobicContact CZ-CG2 3.46Å; F378-I539 VanDerWaalsContact CZ-CG2 3.46Å; F378-P541 HydrophobicContact CD1-CG 4.22Å; F378-P541 HydrophobicContact CD2-CG 4.3Å; F378-P541 HydrophobicContact CE1-CG 4.46Å; F378-P541 HydrophobicContact CG-CG 4.13Å
379G98.6Very high97Very high0 Ų029.5 Ų29.50%014%0.139CC..SBendtrans-60.1178.3168.200000113.2C346 G347 V423C346-G379 PolarHBondContact SG-O 3.35Å; G347-G379 PolarHBondContact N-O 3.5Å; G379-V423 PolarHBondContact N-O 3.27Å
380P98.5Very high97Very high0 Ų029 Ų290%014%0.137CC..  cis-78.2134.2-129.8-34.3000112.8P348 Y349 D383 R427 D428P348-P380 HydrophobicContact CG-CG 4.41Å; Y349-P380 WeakPolarHBondContact CD2-O 3.35Å; P380-D383 HydrophobicContact CB-CB 3.94Å; P380-D383 HydrophobicContact CG-CB 3.77Å; P380-R427 HydrophobicContact CB-CB 3.73Å; P380-R427 HydrophobicContact CG-CB 3.85Å; P380-D428 WeakPolarHBondContact CA-OD1 3.45Å
381F98.4Very high97Very high4 Ų432.9 Ų32.92%0.01816%0.158CC..SBendtrans-81-40.7170.1-65.7-77000111.2Y349 Y357 L377 F402 I409 F422 D428 F440Y349-F381 AromaticContact CD2-CD1 3.79Å; Y349-F381 HydrophobicContact CD2-CD1 3.79Å; Y349-F381 HydrophobicContact CD2-CE1 4.12Å; Y349-F381 HydrophobicContact CD2-CG 4.48Å; Y349-F381 AromaticContact CE2-CD1 3.58Å; Y349-F381 HydrophobicContact CE2-CD1 3.58Å; Y349-F381 AromaticContact CE2-CE1 3.47Å; Y349-F381 HydrophobicContact CE2-CE1 3.47Å; Y349-F381 VanDerWaalsContact CE2-CE1 3.47Å; Y349-F381 HydrophobicContact CE2-CG 4.3Å; Y349-F381 HydrophobicContact CE2-CZ 4.11Å; Y349-F381 AromaticContact CZ-CE1 3.77Å; Y357-F381 WeakPolarHBondContact CE1-O 3.23Å; Y357-F381 PolarHBondContact OH-O 3.06Å; L377-F381 HydrophobicContact CB-CE1 4.25Å; L377-F381 HydrophobicContact CB-CZ 3.93Å; F381-F402 HydrophobicContact CB-CD2 3.89Å; F381-F402 HydrophobicContact CB-CE2 4.05Å; F381-F402 HydrophobicContact CD2-CE2 4Å; F381-F402 HydrophobicContact CG-CE2 4.19Å; F381-I409 HydrophobicContact CD1-CD1 4.07Å; F381-I409 HydrophobicContact CE1-CD1 3.87Å; F381-F422 HydrophobicContact CE1-CD1 4.04Å; F381-F422 HydrophobicContact CE1-CE1 4.13Å; F381-F422 HydrophobicContact CE2-CD1 4.11Å; F381-F422 AromaticContact CZ-CD1 3.52Å; F381-F422 HydrophobicContact CZ-CD1 3.52Å; F381-F422 HydrophobicContact CZ-CE1 4.07Å; F381-D428 PolarHBondContact N-OD1 3.3Å; F381-F440 AromaticContact CD2-CE2 3.88Å; F381-F440 HydrophobicContact CD2-CE2 3.88Å; F381-F440 AromaticContact CD2-CZ 3.9Å; F381-F440 HydrophobicContact CD2-CZ 3.9Å; F381-F440 AromaticContact CE2-CE2 3.72Å; F381-F440 HydrophobicContact CE2-CE2 3.72Å; F381-F440 HydrophobicContact CE2-CZ 4.17Å
382L97.9Very high96.9Very high7 Ų733 Ų334%0.03717%0.172CC..SBendtrans-123.398.8167.9-178.562.5000108.6A384 V389 L394 F398 I401 D428 V429L382-A384 PolarHBondContact O-N 3.39Å; L382-V389 HydrophobicContact CD1-CG2 3.66Å; L382-V389 HydrophobicContact CG-CG2 4.21Å; L382-L394 HydrophobicContact CD1-CD1 4.42Å; L382-F398 HydrophobicContact CD2-CB 3.78Å; L382-F398 HydrophobicContact CD2-CD1 4.05Å; L382-F398 HydrophobicContact CD2-CG 4.22Å; L382-F398 WeakPolarHBondContact CD2-O 3.4Å; L382-I401 HydrophobicContact CD1-CG2 3.86Å; L382-I401 HydrophobicContact CD2-CB 4.08Å; L382-I401 HydrophobicContact CD2-CG2 4.09Å; L382-D428 PolarHBondContact N-OD1 2.69Å; L382-V429 HydrophobicContact CB-CG1 4.24Å; L382-V429 HydrophobicContact CD2-CG1 3.47Å; L382-V429 VanDerWaalsContact CD2-CG1 3.47Å; L382-V429 HydrophobicContact CG-CG1 3.58Å; L382-V429 PolarHBondContact O-N 3.48Å; L382-V429 VanDerWaalsContact O-N 3.08Å
383D98.1Very high96.7Very high18 Ų1837 Ų3710%0.09619%0.193CC..BIsolated β-bridgetrans-75.1119.1-169.5-170.5-3000112.4P348 P380 K385 H386 V389 R427P348-D383 VanDerWaalsContact CG-OD2 3.28Å; P348-D383 WeakPolarHBondContact CG-OD2 3.39Å; P380-D383 HydrophobicContact CB-CB 3.94Å; P380-D383 HydrophobicContact CG-CB 3.77Å; D383-K385 PolarHBondContact O-N 3.06Å; D383-K385 PolarHBondContact OD1-N 2.73Å; D383-H386 HydrophobicContact CB-CB 4.24Å; D383-H386 VanDerWaalsContact O-CB 3.23Å; D383-H386 WeakPolarHBondContact O-CB 3.43Å; D383-H386 PolarHBondContact O-N 3.33Å; D383-V389 WeakPolarHBondContact O-CB 3.4Å; D383-V389 WeakPolarHBondContact O-CG2 3.25Å; D383-R427 CarbonylContact C-O 3.59Å; D383-R427 WeakPolarHBondContact CA-O 3.28Å; D383-R427 IonicContact OD1-CZ 3.64Å; D383-R427 IonicContact OD1-NE 2.91Å; D383-R427 PolarHBondContact OD1-NE 2.91Å; D383-R427 IonicContact OD1-NH2 3.96Å; D383-R427 PolarHBondContact OD1-NH2 3.03Å; D383-R427 IonicContact OD2-CZ 3.92Å; D383-R427 IonicContact OD2-NE 2.94Å; D383-R427 IonicContact OD2-NH2 2.76Å; D383-R427 PolarHBondContact OD2-NH2 3.2Å
384A97.7Very high96.5Very high35 Ų3538.2 Ų38.229%0.28920%0.199SC..THydrogen-bonded Turntrans-57.8-27.6174.800000112.7L382 H386 R427 V429L382-A384 PolarHBondContact O-N 3.39Å; A384-H386 VanDerWaalsContact C-N 3.34Å; A384-R427 WeakPolarHBondContact CB-O 3.45Å; A384-R427 PolarHBondContact N-O 3.06Å; A384-V429 HydrophobicContact CB-CB 3.93Å; A384-V429 HydrophobicContact CB-CG2 4.17Å
385K95.9Very high96.2Very high115 Ų11544.5 Ų44.550%0.524%0.238SC..THydrogen-bonded Turntrans-87.94.9177.1-58.2-168.6178.8-175.90113.3D383 D517D383-K385 PolarHBondContact O-N 3.06Å; D383-K385 PolarHBondContact OD1-N 2.73Å; K385-D517 IonicContact NZ-OD2 3.08Å; K385-D517 PolarHBondContact NZ-OD2 3.39Å
386H96.8Very high96Very high15 Ų1547.3 Ų47.37%0.06926%0.257CS..SBendtrans-76.5133.4174.7-177.3-83.5000110.6T351 S354 D383 A384 Q388 V389 E390T351-H386 PolarHBondContact O-NE2 2.87Å; S354-H386 PolarHBondContact O-NE2 2.96Å; D383-H386 HydrophobicContact CB-CB 4.24Å; D383-H386 VanDerWaalsContact O-CB 3.23Å; D383-H386 WeakPolarHBondContact O-CB 3.43Å; D383-H386 PolarHBondContact O-N 3.33Å; A384-H386 VanDerWaalsContact C-N 3.34Å; H386-Q388 VanDerWaalsContact C-N 3.3Å; H386-Q388 PolarHBondContact ND1-N 2.9Å; H386-Q388 PolarHBondContact O-N 2.95Å; H386-Q388 VanDerWaalsContact O-N 3.12Å; H386-V389 HydrophobicContact CB-CB 4.25Å; H386-V389 HydrophobicContact CB-CG2 3.96Å; H386-V389 WeakPolarHBondContact O-CA 3.45Å; H386-V389 WeakPolarHBondContact O-CB 3.34Å; H386-V389 PolarHBondContact O-N 3Å; H386-E390 PolarHBondContact O-N 2.96Å
387E93.8Very high95.9Very high126 Ų12651.1 Ų51.159%0.58928%0.282SS*.Hα-helixtrans-51.7-43.9-172.2-175.6-176.3169.800113.5V389 N391E387-V389 VanDerWaalsContact C-N 3.33Å; E387-V389 PolarHBondContact O-N 3.4Å; E387-N391 WeakPolarHBondContact O-CB 3.17Å; E387-N391 PolarHBondContact O-N 3.38Å; E387-N391 VanDerWaalsContact O-N 3.16Å; E387-N391 PolarHBondContact O-ND2 3.45Å
388Q93.2Very high95.9Very high39 Ų3954 Ų5418%0.18230%0.295CS..Hα-helixtrans-73-23.9179.4-62.4-179.140.400113.8H386 C392 L393 L394H386-Q388 VanDerWaalsContact C-N 3.3Å; H386-Q388 PolarHBondContact ND1-N 2.9Å; H386-Q388 PolarHBondContact O-N 2.95Å; H386-Q388 VanDerWaalsContact O-N 3.12Å; Q388-C392 PolarHBondContact O-N 2.81Å; Q388-L393 HydrophobicContact CB-CB 4.33Å; Q388-L393 PolarHBondContact O-N 3.15Å; Q388-L394 HydrophobicContact CB-CD2 4.29Å; Q388-L394 HydrophobicContact CB-CG 4.41Å
389V96.1Very high95.8Very high4 Ų457.2 Ų57.22%0.02431%0.31CS..Hα-helixtrans-78.6-51.9177.4175.50000109.1L382 D383 H386 E387 N391 C392 L394 F398 V429L382-V389 HydrophobicContact CD1-CG2 3.66Å; L382-V389 HydrophobicContact CG-CG2 4.21Å; D383-V389 WeakPolarHBondContact O-CB 3.4Å; D383-V389 WeakPolarHBondContact O-CG2 3.25Å; H386-V389 HydrophobicContact CB-CB 4.25Å; H386-V389 HydrophobicContact CB-CG2 3.96Å; H386-V389 WeakPolarHBondContact O-CA 3.45Å; H386-V389 WeakPolarHBondContact O-CB 3.34Å; H386-V389 PolarHBondContact O-N 3Å; E387-V389 VanDerWaalsContact C-N 3.33Å; E387-V389 PolarHBondContact O-N 3.4Å; V389-N391 VanDerWaalsContact C-N 3.3Å; V389-N391 PolarHBondContact O-N 2.61Å; V389-C392 PolarHBondContact O-N 2.79Å; V389-L394 HydrophobicContact CB-CD1 4.4Å; V389-L394 HydrophobicContact CG2-CD1 3.61Å; V389-F398 HydrophobicContact CG1-CE1 4.09Å; V389-F398 HydrophobicContact CG1-CZ 4.17Å; V389-V429 HydrophobicContact CG1-CB 3.95Å; V389-V429 HydrophobicContact CG1-CG1 3.85Å; V389-V429 HydrophobicContact CG1-CG2 3.77Å
390E95.4Very high95.6Very high139 Ų13961.3 Ų61.365%0.6533%0.332SS*.Hα-helixtrans-60.3-39.4-179-173.8175.8-160.800112.2H386 C392H386-E390 PolarHBondContact O-N 2.96Å; E390-C392 VanDerWaalsContact C-N 3.29Å; E390-C392 PolarHBondContact O-N 3.26Å
391N94.6Very high95.5Very high93 Ų9362.8 Ų62.850%0.49734%0.339SS..THydrogen-bonded Turntrans-86.67.1177.7-65.5-63.8000113.8E387 V389 L393E387-N391 WeakPolarHBondContact O-CB 3.17Å; E387-N391 PolarHBondContact O-N 3.38Å; E387-N391 VanDerWaalsContact O-N 3.16Å; E387-N391 PolarHBondContact O-ND2 3.45Å; V389-N391 VanDerWaalsContact C-N 3.3Å; V389-N391 PolarHBondContact O-N 2.61Å; N391-L393 HydrophobicContact CB-CD1 4.05Å; N391-L393 HydrophobicContact CB-CD2 4.43Å; N391-L393 HydrophobicContact CB-CG 3.81Å; N391-L393 PolarHBondContact O-N 3.3Å
392C93.6Very high95.5Very high94 Ų9462.7 Ų62.764%0.63534%0.339SS*.THydrogen-bonded Turntrans50.739.7-179.8-63.70000113.7Q388 V389 E390 L394Q388-C392 PolarHBondContact O-N 2.81Å; V389-C392 PolarHBondContact O-N 2.79Å; E390-C392 VanDerWaalsContact C-N 3.29Å; E390-C392 PolarHBondContact O-N 3.26Å; C392-L394 VanDerWaalsContact C-N 3.34Å
393L92.3Very high95.4Very high86 Ų8664.8 Ų64.845%0.4535%0.347SS..  trans-86.1-8.8-178.9-60.1178.7000112.9Q388 N391Q388-L393 HydrophobicContact CB-CB 4.33Å; Q388-L393 PolarHBondContact O-N 3.15Å; N391-L393 HydrophobicContact CB-CD1 4.05Å; N391-L393 HydrophobicContact CB-CD2 4.43Å; N391-L393 HydrophobicContact CB-CG 3.81Å; N391-L393 PolarHBondContact O-N 3.3Å
394L92.1Very high95.3Very high27 Ų2768.6 Ų68.614%0.14137%0.365CS..  trans-69.9139.2177.7-64.4170000111I355 L382 Q388 V389 C392 F398 I401I355-L394 HydrophobicContact CD1-CD2 3.98Å; I355-L394 HydrophobicContact CG2-CD2 4.18Å; L382-L394 HydrophobicContact CD1-CD1 4.42Å; Q388-L394 HydrophobicContact CB-CD2 4.29Å; Q388-L394 HydrophobicContact CB-CG 4.41Å; V389-L394 HydrophobicContact CB-CD1 4.4Å; V389-L394 HydrophobicContact CG2-CD1 3.61Å; C392-L394 VanDerWaalsContact C-N 3.34Å; L394-F398 HydrophobicContact CD1-CD1 4.17Å; L394-F398 HydrophobicContact CD1-CE1 3.98Å; L394-I401 HydrophobicContact CB-CD1 4.04Å; L394-I401 HydrophobicContact CD1-CD1 3.67Å; L394-I401 HydrophobicContact CD2-CD1 4.24Å; L394-I401 HydrophobicContact CG-CD1 4.2Å
395T93.1Very high95.2Very high132 Ų13267.2 Ų67.281%0.8135%0.353SS*.SBendtrans-90.7-2.2-178.756.30000113.7
396S93.8Very high95.3Very high59 Ų5961.8 Ų61.841%0.41333%0.329SS..SBendtrans-122.7150.6-179.6-57.80000110.4
397P96.9Very high95.3Very high80 Ų8065.2 Ų65.252%0.51934%0.342SS..  trans-57.1145.1173.9-23.534.3000112.1E399 D400 I401P397-E399 VanDerWaalsContact C-N 3.28Å; P397-E399 PolarHBondContact O-N 3.42Å; P397-D400 HydrophobicContact CB-CB 4.47Å; P397-D400 WeakPolarHBondContact CD-OD2 3.48Å; P397-D400 WeakPolarHBondContact CG-OD2 3.49Å; P397-D400 PolarHBondContact O-N 3.04Å; P397-D400 VanDerWaalsContact O-N 3.09Å; P397-I401 PolarHBondContact O-N 3.22Å
398F97.3Very high95.5Very high62 Ų6261.2 Ų61.227%0.27233%0.326SS..Hα-helixtrans-57.5-41.1-179.9-61.9-30.9000112.9L382 V389 L394 D400 I401 F402 V429 H430L382-F398 HydrophobicContact CD2-CB 3.78Å; L382-F398 HydrophobicContact CD2-CD1 4.05Å; L382-F398 HydrophobicContact CD2-CG 4.22Å; L382-F398 WeakPolarHBondContact CD2-O 3.4Å; V389-F398 HydrophobicContact CG1-CE1 4.09Å; V389-F398 HydrophobicContact CG1-CZ 4.17Å; L394-F398 HydrophobicContact CD1-CD1 4.17Å; L394-F398 HydrophobicContact CD1-CE1 3.98Å; F398-D400 VanDerWaalsContact C-N 3.32Å; F398-D400 PolarHBondContact O-N 3.13Å; F398-I401 PolarHBondContact O-N 3.47Å; F398-F402 PolarHBondContact O-N 3.05Å; F398-V429 HydrophobicContact CB-CG1 3.88Å; F398-V429 HydrophobicContact CD1-CG1 4.19Å; F398-V429 HydrophobicContact CD2-CG1 3.91Å; F398-V429 HydrophobicContact CD2-CG2 3.85Å; F398-V429 HydrophobicContact CE2-CG1 4.49Å; F398-V429 HydrophobicContact CE2-CG2 3.8Å; F398-V429 HydrophobicContact CG-CG1 3.75Å; F398-V429 HydrophobicContact CG-CG2 4.5Å; F398-V429 HydrophobicContact CZ-CG2 4.41Å; F398-H430 HydrophobicContact CB-CB 4.17Å
399E96.9Very high95.7Very high66 Ų6659.4 Ų59.431%0.30832%0.317SS..Hα-helixtrans-57.6-43.1176179.965.5-176.200112.1P397 F402 K403 H430P397-E399 VanDerWaalsContact C-N 3.28Å; P397-E399 PolarHBondContact O-N 3.42Å; E399-F402 PolarHBondContact O-N 3Å; E399-K403 HydrophobicContact CG-CD 4.38Å; E399-K403 WeakPolarHBondContact O-CB 3.49Å; E399-K403 VanDerWaalsContact O-CG 3.29Å; E399-K403 WeakPolarHBondContact O-CG 3.49Å; E399-K403 PolarHBondContact O-N 2.91Å; E399-K403 WeakPolarHBondContact OE1-CE 3.47Å; E399-K403 IonicContact OE1-NZ 2.55Å; E399-K403 PolarHBondContact OE1-NZ 3.25Å; E399-H430 IonicContact OE2-CD2 3.94Å; E399-H430 PolarHBondContact OE2-CD2 3.34Å
400D96Very high95.7Very high87 Ų8759.6 Ų59.647%0.46532%0.318SS..Hα-helixtrans-70.1-38.2-178.3-68.5-20.9000111.6P397 F398 K403 Q404P397-D400 HydrophobicContact CB-CB 4.47Å; P397-D400 WeakPolarHBondContact CD-OD2 3.48Å; P397-D400 WeakPolarHBondContact CG-OD2 3.49Å; P397-D400 PolarHBondContact O-N 3.04Å; P397-D400 VanDerWaalsContact O-N 3.09Å; F398-D400 VanDerWaalsContact C-N 3.32Å; F398-D400 PolarHBondContact O-N 3.13Å; D400-K403 PolarHBondContact O-N 3.4Å; D400-Q404 WeakPolarHBondContact O-CB 3.42Å; D400-Q404 PolarHBondContact O-N 3.25Å
401I96.1Very high95.8Very high31 Ų3157.7 Ų57.716%0.15931%0.309CS..Hα-helixtrans-65.1-44.2176.2-63.2170.3000110.2L382 L394 P397 F398 Q404 C405L382-I401 HydrophobicContact CD1-CG2 3.86Å; L382-I401 HydrophobicContact CD2-CB 4.08Å; L382-I401 HydrophobicContact CD2-CG2 4.09Å; L394-I401 HydrophobicContact CB-CD1 4.04Å; L394-I401 HydrophobicContact CD1-CD1 3.67Å; L394-I401 HydrophobicContact CD2-CD1 4.24Å; L394-I401 HydrophobicContact CG-CD1 4.2Å; P397-I401 PolarHBondContact O-N 3.22Å; F398-I401 PolarHBondContact O-N 3.47Å; I401-Q404 PolarHBondContact O-N 3.08Å; I401-C405 PolarHBondContact O-N 3.48Å
402F97.3Very high95.9Very high1 Ų154.7 Ų54.70%0.00430%0.3CS..Hα-helixtrans-59-50.3173.8167.6-107.9000111.6F381 F398 E399 Q404 C405 L406 H430 F440F381-F402 HydrophobicContact CB-CD2 3.89Å; F381-F402 HydrophobicContact CB-CE2 4.05Å; F381-F402 HydrophobicContact CD2-CE2 4Å; F381-F402 HydrophobicContact CG-CE2 4.19Å; F398-F402 PolarHBondContact O-N 3.05Å; E399-F402 PolarHBondContact O-N 3Å; F402-Q404 PolarHBondContact O-N 2.75Å; F402-C405 WeakPolarHBondContact O-CB 3.3Å; F402-C405 PolarHBondContact O-N 3.31Å; F402-C405 VanDerWaalsContact O-N 3.15Å; F402-L406 HydrophobicContact CE1-CD2 4.11Å; F402-L406 HydrophobicContact CZ-CD2 3.91Å; F402-L406 WeakPolarHBondContact O-CB 3.42Å; F402-L406 PolarHBondContact O-N 3.31Å; F402-H430 AromaticContact CD1-CD2 3.53Å; F402-H430 AromaticContact CD1-CE1 3.68Å; F402-H430 AromaticContact CD1-NE2 3.19Å; F402-H430 WeakPolarHBondContact CD1-NE2 3.29Å; F402-H430 AromaticContact CD2-CE1 3.11Å; F402-H430 WeakPolarHBondContact CD2-CE1 3.34Å; F402-H430 AromaticContact CD2-ND1 3.78Å; F402-H430 AromaticContact CD2-NE2 3.5Å; F402-H430 AromaticContact CE1-CE1 3.97Å; F402-H430 AromaticContact CE1-NE2 3.3Å; F402-H430 VanDerWaalsContact CE1-NE2 3.3Å; F402-H430 WeakPolarHBondContact CE1-NE2 3.28Å; F402-H430 AromaticContact CE2-CE1 3.44Å; F402-H430 VanDerWaalsContact CE2-CE1 3.44Å; F402-H430 WeakPolarHBondContact CE2-CE1 3.34Å; F402-H430 AromaticContact CE2-NE2 3.6Å; F402-H430 AromaticContact CG-CD2 3.71Å; F402-H430 AromaticContact CG-CE1 3.22Å; F402-H430 WeakPolarHBondContact CG-CE1 3.45Å; F402-H430 AromaticContact CG-CG 3.92Å; F402-H430 AromaticContact CG-ND1 3.61Å; F402-H430 AromaticContact CG-NE2 3.28Å; F402-H430 VanDerWaalsContact CG-NE2 3.28Å; F402-H430 WeakPolarHBondContact CG-NE2 3.04Å; F402-H430 AromaticContact CZ-CE1 3.86Å; F402-H430 AromaticContact CZ-NE2 3.5Å; F402-H430 WeakPolarHBondContact CZ-NE2 3.37Å; F402-F440 HydrophobicContact CE1-CD1 4.2Å; F402-F440 HydrophobicContact CE1-CG 4.41Å; F402-F440 HydrophobicContact CE2-CD1 4.2Å; F402-F440 HydrophobicContact CE2-CD2 4.47Å; F402-F440 HydrophobicContact CE2-CE1 4Å; F402-F440 HydrophobicContact CE2-CE2 4.27Å; F402-F440 HydrophobicContact CE2-CG 4.42Å; F402-F440 HydrophobicContact CE2-CZ 4.02Å; F402-F440 HydrophobicContact CZ-CB 4.13Å; F402-F440 AromaticContact CZ-CD1 3.61Å; F402-F440 HydrophobicContact CZ-CD1 3.61Å; F402-F440 HydrophobicContact CZ-CD2 4Å; F402-F440 AromaticContact CZ-CE1 3.89Å; F402-F440 HydrophobicContact CZ-CE1 3.89Å; F402-F440 HydrophobicContact CZ-CE2 4.25Å; F402-F440 AromaticContact CZ-CG 3.66Å; F402-F440 HydrophobicContact CZ-CG 3.66Å; F402-F440 HydrophobicContact CZ-CZ 4.19Å
403K96.5Very high96Very high51 Ų5150.4 Ų50.422%0.22227%0.271CS..Hα-helixtrans-58.1-37.1177.7-75-178177.2152.80112.7E399 D400 R407 Y442E399-K403 HydrophobicContact CG-CD 4.38Å; E399-K403 WeakPolarHBondContact O-CB 3.49Å; E399-K403 VanDerWaalsContact O-CG 3.29Å; E399-K403 WeakPolarHBondContact O-CG 3.49Å; E399-K403 PolarHBondContact O-N 2.91Å; E399-K403 WeakPolarHBondContact OE1-CE 3.47Å; E399-K403 IonicContact OE1-NZ 2.55Å; E399-K403 PolarHBondContact OE1-NZ 3.25Å; D400-K403 PolarHBondContact O-N 3.4Å; K403-R407 VanDerWaalsContact O-CB 3.28Å; K403-R407 WeakPolarHBondContact O-CB 3.32Å; K403-R407 PolarHBondContact O-N 3.47Å; K403-Y442 HydrophobicContact CB-CE2 3.92Å; K403-Y442 HydrophobicContact CD-CE2 4.43Å; K403-Y442 HydrophobicContact CG-CD2 4Å; K403-Y442 HydrophobicContact CG-CE2 3.75Å
404Q95.8Very high96.2Very high98 Ų9851.2 Ų51.246%0.45827%0.268SS..Hα-helixtrans-70.1-41.1177.5-177.460.419.900112.2D400 I401 F402 R407 T408D400-Q404 WeakPolarHBondContact O-CB 3.42Å; D400-Q404 PolarHBondContact O-N 3.25Å; I401-Q404 PolarHBondContact O-N 3.08Å; F402-Q404 PolarHBondContact O-N 2.75Å; Q404-R407 PolarHBondContact O-N 3.14Å; Q404-T408 WeakPolarHBondContact O-CB 3.19Å; Q404-T408 PolarHBondContact O-N 3.23Å; Q404-T408 PolarHBondContact O-OG1 3.26Å
405C96.4Very high96.2Very high6 Ų653.8 Ų53.84%0.04129%0.289CS..Hα-helixtrans-58.3-50.5172.4179.80000110.3Y357 L360 I401 F402 R407 T408 I409Y357-C405 HydrophobicContact CE1-CB 4.46Å; L360-C405 VanDerWaalsContact CD2-SG 3.59Å; I401-C405 PolarHBondContact O-N 3.48Å; F402-C405 WeakPolarHBondContact O-CB 3.3Å; F402-C405 PolarHBondContact O-N 3.31Å; F402-C405 VanDerWaalsContact O-N 3.15Å; C405-R407 PolarHBondContact O-N 2.87Å; C405-T408 WeakPolarHBondContact O-CB 3.46Å; C405-T408 PolarHBondContact O-N 3.25Å; C405-T408 VanDerWaalsContact O-N 3.13Å; C405-I409 WeakPolarHBondContact O-CG1 3.47Å; C405-I409 PolarHBondContact O-N 3.03Å; C405-I409 VanDerWaalsContact O-N 3.1Å
406L96.8Very high96.2Very high1 Ų147.5 Ų47.51%0.00525%0.25CS..Hα-helixtrans-62.5-43.4-179.9-167.860.4000112.5F402 T408 I409 I410 F422 Y442 F455F402-L406 HydrophobicContact CE1-CD2 4.11Å; F402-L406 HydrophobicContact CZ-CD2 3.91Å; F402-L406 WeakPolarHBondContact O-CB 3.42Å; F402-L406 PolarHBondContact O-N 3.31Å; L406-T408 VanDerWaalsContact C-N 3.3Å; L406-T408 PolarHBondContact O-N 3.29Å; L406-I409 PolarHBondContact O-N 3.25Å; L406-I410 HydrophobicContact CD1-CD1 4.25Å; L406-I410 HydrophobicContact CG-CD1 3.82Å; L406-I410 VanDerWaalsContact O-CG1 3.27Å; L406-I410 WeakPolarHBondContact O-CG1 3.31Å; L406-I410 PolarHBondContact O-N 3.19Å; L406-F422 HydrophobicContact CD1-CD1 3.55Å; L406-F422 HydrophobicContact CD1-CD2 4.05Å; L406-F422 HydrophobicContact CD1-CE1 3.18Å; L406-F422 HydrophobicContact CD1-CE2 3.71Å; L406-F422 HydrophobicContact CD1-CG 3.98Å; L406-F422 HydrophobicContact CD1-CZ 3.27Å; L406-Y442 HydrophobicContact CB-CE2 4.49Å; L406-Y442 HydrophobicContact CD2-CD1 3.98Å; L406-Y442 HydrophobicContact CD2-CD2 3.56Å; L406-Y442 HydrophobicContact CD2-CE1 4.37Å; L406-Y442 HydrophobicContact CD2-CE2 3.95Å; L406-Y442 HydrophobicContact CD2-CG 3.55Å; L406-F455 HydrophobicContact CD1-CE1 4.14Å; L406-F455 HydrophobicContact CD2-CE1 3.75Å; L406-F455 HydrophobicContact CD2-CZ 3.78Å
407R96.9Very high96.2Very high87 Ų8745.2 Ų45.233%0.32824%0.236SC..Hα-helixtrans-57.3-44.5173.5-176.5-178-63.4144.6-3.7111.3K403 Q404 C405 I409 I410 E411K403-R407 VanDerWaalsContact O-CB 3.28Å; K403-R407 WeakPolarHBondContact O-CB 3.32Å; K403-R407 PolarHBondContact O-N 3.47Å; Q404-R407 PolarHBondContact O-N 3.14Å; C405-R407 PolarHBondContact O-N 2.87Å; R407-I409 VanDerWaalsContact C-N 3.31Å; R407-I409 PolarHBondContact O-N 3.34Å; R407-I410 PolarHBondContact O-N 2.92Å; R407-E411 HydrophobicContact CG-CG 3.9Å; R407-E411 WeakPolarHBondContact CG-OE1 3.4Å; R407-E411 VanDerWaalsContact O-CB 3.29Å; R407-E411 WeakPolarHBondContact O-CB 3.25Å; R407-E411 VanDerWaalsContact O-CG 3.29Å; R407-E411 WeakPolarHBondContact O-CG 3.44Å; R407-E411 PolarHBondContact O-N 3.43Å
408T97.6Very high96.1Very high42 Ų4241.5 Ų41.526%0.25821%0.212SC..Hα-helixtrans-61.8-40-179.3-60.80000111.3L361 I364 Q404 C405 L406 G412L361-T408 HydrophobicContact CD2-CG2 3.97Å; I364-T408 HydrophobicContact CD1-CG2 3.91Å; Q404-T408 WeakPolarHBondContact O-CB 3.19Å; Q404-T408 PolarHBondContact O-N 3.23Å; Q404-T408 PolarHBondContact O-OG1 3.26Å; C405-T408 WeakPolarHBondContact O-CB 3.46Å; C405-T408 PolarHBondContact O-N 3.25Å; C405-T408 VanDerWaalsContact O-N 3.13Å; L406-T408 VanDerWaalsContact C-N 3.3Å; L406-T408 PolarHBondContact O-N 3.29Å; T408-G412 VanDerWaalsContact O-CA 3.31Å; T408-G412 WeakPolarHBondContact O-CA 3.35Å; T408-G412 PolarHBondContact O-N 3.14Å
409I98.1Very high96.1Very high1 Ų140.4 Ų40.41%0.00521%0.207CC..Hα-helixtrans-66.4-52.7175.4-60.7165.7000110.8L360 I364 L377 F381 C405 L406 R407 G412 T413 L420 F422L360-I409 HydrophobicContact CD1-CD1 3.79Å; L360-I409 HydrophobicContact CD1-CG1 3.67Å; L360-I409 HydrophobicContact CD2-CD1 4.39Å; L360-I409 HydrophobicContact CD2-CG1 4.04Å; L360-I409 HydrophobicContact CG-CG1 4.15Å; I364-I409 HydrophobicContact CD1-CG1 4.5Å; L377-I409 HydrophobicContact CD1-CD1 4.37Å; L377-I409 HydrophobicContact CD1-CG2 3.68Å; F381-I409 HydrophobicContact CD1-CD1 4.07Å; F381-I409 HydrophobicContact CE1-CD1 3.87Å; C405-I409 WeakPolarHBondContact O-CG1 3.47Å; C405-I409 PolarHBondContact O-N 3.03Å; C405-I409 VanDerWaalsContact O-N 3.1Å; L406-I409 PolarHBondContact O-N 3.25Å; R407-I409 VanDerWaalsContact C-N 3.31Å; R407-I409 PolarHBondContact O-N 3.34Å; I409-G412 PolarHBondContact O-N 3Å; I409-T413 WeakPolarHBondContact O-CB 3.09Å; I409-T413 VanDerWaalsContact O-CG2 3.31Å; I409-T413 WeakPolarHBondContact O-CG2 3.21Å; I409-T413 PolarHBondContact O-N 3.38Å; I409-T413 PolarHBondContact O-OG1 3.38Å; I409-L420 HydrophobicContact CG2-CD1 4.1Å; I409-F422 HydrophobicContact CB-CZ 4.32Å; I409-F422 HydrophobicContact CD1-CE1 3.92Å; I409-F422 HydrophobicContact CG2-CE1 4.15Å; I409-F422 HydrophobicContact CG2-CZ 3.82Å
410I97.4Very high96.2Very high8 Ų837.4 Ų37.44%0.04119%0.194CC..Hα-helixtrans-61.7-55.1-175.5-65.2165.5000109.8L406 R407 G412 T413 R414 L420 F422 Y442 L445 D449 V453L406-I410 HydrophobicContact CD1-CD1 4.25Å; L406-I410 HydrophobicContact CG-CD1 3.82Å; L406-I410 VanDerWaalsContact O-CG1 3.27Å; L406-I410 WeakPolarHBondContact O-CG1 3.31Å; L406-I410 PolarHBondContact O-N 3.19Å; R407-I410 PolarHBondContact O-N 2.92Å; I410-G412 PolarHBondContact O-N 3.03Å; I410-T413 PolarHBondContact O-N 3.09Å; I410-T413 PolarHBondContact O-OG1 3.48Å; I410-R414 WeakPolarHBondContact O-CG 3.47Å; I410-R414 PolarHBondContact O-N 3Å; I410-L420 HydrophobicContact CG1-CD1 4.08Å; I410-F422 HydrophobicContact CG1-CE2 4.34Å; I410-F422 HydrophobicContact CG1-CZ 4.31Å; I410-Y442 HydrophobicContact CD1-CD1 4.45Å; I410-Y442 HydrophobicContact CD1-CE1 4.06Å; I410-L445 HydrophobicContact CD1-CD2 3.67Å; I410-D449 HydrophobicContact CG2-CB 4.07Å; I410-V453 HydrophobicContact CD1-CG1 4.43Å; I410-V453 HydrophobicContact CD1-CG2 4.14Å; I410-V453 HydrophobicContact CG1-CG2 3.91Å; I410-V453 HydrophobicContact CG2-CG2 4.09Å
411E96.5Very high96.3Very high99 Ų9933.2 Ų33.246%0.46317%0.171SC..Hα-helixtrans-65.1-41-178.9-62.9-173.3161.600111.8R407 T413R407-E411 HydrophobicContact CG-CG 3.9Å; R407-E411 WeakPolarHBondContact CG-OE1 3.4Å; R407-E411 VanDerWaalsContact O-CB 3.29Å; R407-E411 WeakPolarHBondContact O-CB 3.25Å; R407-E411 VanDerWaalsContact O-CG 3.29Å; R407-E411 WeakPolarHBondContact O-CG 3.44Å; R407-E411 PolarHBondContact O-N 3.43Å; E411-T413 PolarHBondContact O-N 2.63Å
412G96.9Very high96.5Very high30 Ų3031.8 Ų31.831%0.30916%0.164SC..Hα-helixtrans-64.8-23.118000000113.7I364 N368 T408 I409 I410I364-G412 WeakPolarHBondContact CG2-O 3.41Å; N368-G412 PolarHBondContact ND2-O 3.4Å; N368-G412 PolarHBondContact OD1-O 3.01Å; T408-G412 VanDerWaalsContact O-CA 3.31Å; T408-G412 WeakPolarHBondContact O-CA 3.35Å; T408-G412 PolarHBondContact O-N 3.14Å; I409-G412 PolarHBondContact O-N 3Å; I410-G412 PolarHBondContact O-N 3.03Å
413T96.5Very high96.5Very high4 Ų431.7 Ų31.73%0.02516%0.164CC..Hα-helixtrans-110.2-0.3-176.259.80000114.4I364 I367 I409 I410 E411 S415 S416I364-T413 HydrophobicContact CB-CG2 4.44Å; I364-T413 HydrophobicContact CG1-CG2 4.23Å; I364-T413 HydrophobicContact CG2-CG2 4.03Å; I367-T413 HydrophobicContact CB-CG2 4.07Å; I367-T413 HydrophobicContact CD1-CG2 4.1Å; I367-T413 HydrophobicContact CG2-CG2 3.71Å; I409-T413 WeakPolarHBondContact O-CB 3.09Å; I409-T413 VanDerWaalsContact O-CG2 3.31Å; I409-T413 WeakPolarHBondContact O-CG2 3.21Å; I409-T413 PolarHBondContact O-N 3.38Å; I409-T413 PolarHBondContact O-OG1 3.38Å; I410-T413 PolarHBondContact O-N 3.09Å; I410-T413 PolarHBondContact O-OG1 3.48Å; E411-T413 PolarHBondContact O-N 2.63Å; T413-S415 PolarHBondContact O-N 3.33Å; T413-S416 WeakPolarHBondContact O-CB 3.4Å; T413-S416 PolarHBondContact O-N 2.92Å; T413-S416 PolarHBondContact O-OG 3.47Å
414R94.4Very high96.6Very high103 Ų10329.3 Ų29.339%0.38915%0.153SC..G310 helixtrans-49-38.4176.5-76.2-178.4176.4144.92.5113.4I410 S416 G417 D449I410-R414 WeakPolarHBondContact O-CG 3.47Å; I410-R414 PolarHBondContact O-N 3Å; R414-S416 VanDerWaalsContact C-N 3.28Å; R414-S416 PolarHBondContact O-N 3.31Å; R414-G417 PolarHBondContact O-N 3.01Å; R414-D449 IonicContact CZ-OD1 3.64Å; R414-D449 IonicContact CZ-OD2 3.25Å; R414-D449 IonicContact NE-OD1 2.95Å; R414-D449 PolarHBondContact NE-OD1 3.2Å; R414-D449 IonicContact NE-OD2 2.94Å; R414-D449 IonicContact NH2-OD1 3.71Å; R414-D449 PolarHBondContact NH2-OD1 3.44Å; R414-D449 IonicContact NH2-OD2 3.46Å; R414-D449 PolarHBondContact NH2-OD2 3.13Å
415S92.7Very high96.8Very high82 Ų8224.9 Ų24.957%0.57313%0.133SC*.G310 helixtrans-67.7-26.8-178.579.50000113.5N368 R371 T413 G417N368-S415 PolarHBondContact OD1-OG 3.33Å; R371-S415 PolarHBondContact NH1-O 3.25Å; R371-S415 PolarHBondContact NH2-O 2.94Å; T413-S415 PolarHBondContact O-N 3.33Å; S415-G417 VanDerWaalsContact C-N 3.34Å
416S93.8Very high96.8Very high0 Ų026.7 Ų26.70%014%0.142CC..G310 helixtrans-70.5-30.6179.574.70000112.5G186 R371 T413 R414 S418G186-S416 WeakPolarHBondContact CA-O 3.38Å; R371-S416 VanDerWaalsContact CZ-O 3.23Å; R371-S416 PolarHBondContact NH2-O 3.06Å; T413-S416 WeakPolarHBondContact O-CB 3.4Å; T413-S416 PolarHBondContact O-N 2.92Å; T413-S416 PolarHBondContact O-OG 3.47Å; R414-S416 VanDerWaalsContact C-N 3.28Å; R414-S416 PolarHBondContact O-N 3.31Å; S416-S418 VanDerWaalsContact CB-OG 3.3Å; S416-S418 WeakPolarHBondContact CB-OG 3.21Å; S416-S418 PolarHBondContact O-N 3.44Å; S416-S418 WeakPolarHBondContact OG-CB 3.36Å; S416-S418 PolarHBondContact OG-N 3.38Å; S416-S418 VanDerWaalsContact OG-N 3.14Å; S416-S418 PolarHBondContact OG-OG 2.94Å
417G93.2Very high96.9Very high11 Ų1128.6 Ų28.611%0.11315%0.149CC..  trans69.47.5-171.500000114.4G186 G187 R414 S415G186-G417 CarbonylContact C-O 3.56Å; G187-G417 WeakPolarHBondContact CA-O 3.46Å; G187-G417 PolarHBondContact N-O 2.87Å; G187-G417 VanDerWaalsContact N-O 3.09Å; R414-G417 PolarHBondContact O-N 3.01Å; S415-G417 VanDerWaalsContact C-N 3.34Å
418S95.9Very high96.9Very high2 Ų224.6 Ų24.61%0.01413%0.134CC..PPolyproline II helixtrans-66.2143179.4-40.40000110.9P372 S416P372-S418 WeakPolarHBondContact O-CA 3.26Å; P372-S418 WeakPolarHBondContact O-CB 3.34Å; P372-S418 PolarHBondContact O-OG 2.95Å; S416-S418 VanDerWaalsContact CB-OG 3.3Å; S416-S418 WeakPolarHBondContact CB-OG 3.21Å; S416-S418 PolarHBondContact O-N 3.44Å; S416-S418 WeakPolarHBondContact OG-CB 3.36Å; S416-S418 PolarHBondContact OG-N 3.38Å; S416-S418 VanDerWaalsContact OG-N 3.14Å; S416-S418 PolarHBondContact OG-OG 2.94Å
419H97.5Very high96.9Very high38 Ų3824.8 Ų24.818%0.17614%0.135CC..EExtended strand (participates in β ladder)trans-77.1132.3167-68.579.2000109.9L193 D373 V374 C375 K451 Q452L193-H419 HydrophobicContact CD1-CB 3.69Å; D373-H419 PolarHBondContact O-N 3.45Å; V374-H419 CarbonylContact C-O 3.57Å; V374-H419 WeakPolarHBondContact CA-O 3.41Å; V374-H419 HydrophobicContact CG2-CB 4.48Å; C375-H419 PolarHBondContact N-O 3.3Å; H419-K451 PolarHBondContact CD2-O 2.95Å; H419-Q452 CarbonylContact C-O 3.45Å; H419-Q452 VanDerWaalsContact CA-O 3.27Å; H419-Q452 WeakPolarHBondContact CA-O 3.44Å
420L98.3Very high96.9Very high3 Ų326.5 Ų26.52%0.01614%0.143CC..EExtended strand (participates in β ladder)trans-102.4122.9178.8-55.3-179.5000109.8C375 I409 I410 F422 Q452 V453 Q454C375-L420 HydrophobicContact CB-CD2 3.8Å; I409-L420 HydrophobicContact CG2-CD1 4.1Å; I410-L420 HydrophobicContact CG1-CD1 4.08Å; L420-F422 HydrophobicContact CB-CD2 4.3Å; L420-F422 HydrophobicContact CB-CE2 3.61Å; L420-F422 HydrophobicContact CB-CZ 4.15Å; L420-F422 HydrophobicContact CD1-CE2 4.02Å; L420-F422 HydrophobicContact CD1-CZ 4.01Å; L420-F422 HydrophobicContact CG-CE2 4.49Å; L420-Q452 PolarHBondContact N-O 3.21Å; L420-V453 HydrophobicContact CB-CG2 4.47Å; L420-V453 HydrophobicContact CD1-CG2 4.26Å; L420-Q454 PolarHBondContact O-N 2.98Å
421V98.6Very high96.9Very high0 Ų027.6 Ų27.60%015%0.148CC..EExtended strand (participates in β ladder)trans-113.1114.6173.8-178.70000108.4L193 V374 C375 I376 L377 Q454 V456 L462L193-V421 HydrophobicContact CD1-CG2 4.17Å; V374-V421 HydrophobicContact CG1-CG2 3.97Å; C375-V421 PolarHBondContact O-N 3.06Å; I376-V421 CarbonylContact C-O 3.56Å; I376-V421 WeakPolarHBondContact CA-O 3.35Å; I376-V421 HydrophobicContact CG1-CB 4.38Å; I376-V421 HydrophobicContact CG2-CB 4.44Å; I376-V421 HydrophobicContact CG2-CG1 4.4Å; L377-V421 PolarHBondContact N-O 3.39Å; V421-Q454 WeakPolarHBondContact CA-O 3.42Å; V421-V456 HydrophobicContact CG1-CG1 4.05Å; V421-V456 HydrophobicContact CG1-CG2 3.8Å; V421-L462 HydrophobicContact CG1-CD2 4.12Å; V421-L462 HydrophobicContact CG2-CD2 4.18Å
422F98.8Very high96.8Very high0 Ų025.4 Ų25.40%014%0.138CC..EExtended strand (participates in β ladder)trans-99.1125.1179.7-68.4-84.5000110.5L377 F381 L406 I409 I410 L420 F440 V453 Q454 F455 V456L377-F422 HydrophobicContact CB-CD1 4.22Å; L377-F422 HydrophobicContact CB-CE1 4.34Å; L377-F422 HydrophobicContact CD1-CD1 4.48Å; L377-F422 HydrophobicContact CD1-CE1 3.8Å; L377-F422 HydrophobicContact CD1-CZ 4.23Å; F381-F422 HydrophobicContact CE1-CD1 4.04Å; F381-F422 HydrophobicContact CE1-CE1 4.13Å; F381-F422 HydrophobicContact CE2-CD1 4.11Å; F381-F422 AromaticContact CZ-CD1 3.52Å; F381-F422 HydrophobicContact CZ-CD1 3.52Å; F381-F422 HydrophobicContact CZ-CE1 4.07Å; L406-F422 HydrophobicContact CD1-CD1 3.55Å; L406-F422 HydrophobicContact CD1-CD2 4.05Å; L406-F422 HydrophobicContact CD1-CE1 3.18Å; L406-F422 HydrophobicContact CD1-CE2 3.71Å; L406-F422 HydrophobicContact CD1-CG 3.98Å; L406-F422 HydrophobicContact CD1-CZ 3.27Å; I409-F422 HydrophobicContact CB-CZ 4.32Å; I409-F422 HydrophobicContact CD1-CE1 3.92Å; I409-F422 HydrophobicContact CG2-CE1 4.15Å; I409-F422 HydrophobicContact CG2-CZ 3.82Å; I410-F422 HydrophobicContact CG1-CE2 4.34Å; I410-F422 HydrophobicContact CG1-CZ 4.31Å; L420-F422 HydrophobicContact CB-CD2 4.3Å; L420-F422 HydrophobicContact CB-CE2 3.61Å; L420-F422 HydrophobicContact CB-CZ 4.15Å; L420-F422 HydrophobicContact CD1-CE2 4.02Å; L420-F422 HydrophobicContact CD1-CZ 4.01Å; L420-F422 HydrophobicContact CG-CE2 4.49Å; F422-F440 HydrophobicContact CB-CD2 4.29Å; F422-V453 HydrophobicContact CD2-CG1 3.93Å; F422-V453 HydrophobicContact CE2-CG1 3.82Å; F422-Q454 PolarHBondContact N-O 2.84Å; F422-F455 HydrophobicContact CB-CD1 3.61Å; F422-F455 HydrophobicContact CB-CE1 3.89Å; F422-F455 HydrophobicContact CD2-CD1 4.04Å; F422-F455 AromaticContact CD2-CE1 3.61Å; F422-F455 HydrophobicContact CD2-CE1 3.61Å; F422-F455 HydrophobicContact CD2-CZ 4.33Å; F422-F455 HydrophobicContact CE2-CE1 4.37Å; F422-F455 HydrophobicContact CG-CD1 4.09Å; F422-F455 AromaticContact CG-CE1 3.85Å; F422-F455 HydrophobicContact CG-CE1 3.85Å; F422-V456 WeakPolarHBondContact O-CG2 3.43Å; F422-V456 PolarHBondContact O-N 2.76Å; F422-V456 VanDerWaalsContact O-N 3.12Å
423V98.8Very high96.8Very high0 Ų028.1 Ų28.10%015%0.15CC..EExtended strand (participates in β ladder)trans-113.4123.3178.2-1710000108.8I376 L377 F378 G379 V456 E458 L471I376-V423 HydrophobicContact CG2-CG2 3.83Å; L377-V423 PolarHBondContact O-N 3.23Å; F378-V423 CarbonylContact C-O 3.6Å; F378-V423 WeakPolarHBondContact CA-O 3.15Å; F378-V423 HydrophobicContact CD1-CB 3.75Å; F378-V423 HydrophobicContact CD1-CG1 3.76Å; F378-V423 HydrophobicContact CD1-CG2 4.12Å; F378-V423 HydrophobicContact CE1-CB 4.1Å; F378-V423 HydrophobicContact CE1-CG1 3.92Å; F378-V423 HydrophobicContact CE1-CG2 4.04Å; F378-V423 HydrophobicContact CG-CB 4.17Å; F378-V423 HydrophobicContact CG-CG2 4.45Å; F378-V423 HydrophobicContact CZ-CG2 4.29Å; G379-V423 PolarHBondContact N-O 3.27Å; V423-V456 HydrophobicContact CB-CG2 4.44Å; V423-V456 HydrophobicContact CG2-CG2 3.76Å; V423-E458 HydrophobicContact CG1-CB 4.4Å; V423-E458 WeakPolarHBondContact CG1-OE2 3.49Å; V423-L471 HydrophobicContact CG2-CD1 4.23Å
424P98.5Very high96.8Very high0 Ų029 Ų290%016%0.155CC..  trans-71.1165.9-178.726.6-30.3000112.8Q437 F440 V456 E458 S473P424-Q437 HydrophobicContact CG-CB 4.16Å; P424-F440 VanDerWaalsContact CA-CZ 3.45Å; P424-F440 HydrophobicContact CB-CD1 4.39Å; P424-F440 HydrophobicContact CB-CD2 4.35Å; P424-F440 HydrophobicContact CB-CE1 3.84Å; P424-F440 HydrophobicContact CB-CE2 3.8Å; P424-F440 HydrophobicContact CB-CZ 3.53Å; P424-V456 WeakPolarHBondContact CD-O 3.46Å; P424-E458 HydrophobicContact CG-CB 3.73Å; P424-S473 VanDerWaalsContact O-CB 3.25Å; P424-S473 WeakPolarHBondContact O-CB 3.44Å; P424-S473 PolarHBondContact O-OG 3.16Å
425S98.4Very high96.9Very high6 Ų624 Ų244%0.04214%0.137CC..  trans-131.8149.4171.5-1740000111.5R427 D428 Q437 S473S425-R427 PolarHBondContact O-N 3.41Å; S425-R427 PolarHBondContact OG-N 2.67Å; S425-D428 WeakPolarHBondContact CB-OD2 3.43Å; S425-D428 PolarHBondContact N-OD2 2.89Å; S425-D428 WeakPolarHBondContact O-CB 3.42Å; S425-D428 PolarHBondContact O-N 3.26Å; S425-Q437 VanDerWaalsContact C-NE2 3.3Å; S425-Q437 VanDerWaalsContact CA-OE1 3.28Å; S425-Q437 PolarHBondContact O-NE2 3.12Å; S425-Q437 PolarHBondContact O-OE1 3.37Å; S425-S473 VanDerWaalsContact CA-OG 3.31Å; S425-S473 WeakPolarHBondContact CA-OG 3.5Å
426L97.5Very high97.1Very high43 Ų4320.2 Ų20.223%0.22511%0.11CC..THydrogen-bonded Turntrans-60.2-16.3170.9-68.1172.7000112.6Q437 M518L426-Q437 HydrophobicContact CD2-CG 3.79Å; L426-M518 HydrophobicContact CD1-CE 4.48Å; L426-M518 HydrophobicContact CD1-CG 4.04Å
427R97.8Very high97.3Very high42 Ų4220.2 Ų20.216%0.15811%0.11CC..THydrogen-bonded Turntrans-87.8-2.9174.1-69.417366.3163.82.1113.5P380 D383 A384 S425 V429 E543P380-R427 HydrophobicContact CB-CB 3.73Å; P380-R427 HydrophobicContact CG-CB 3.85Å; D383-R427 CarbonylContact C-O 3.59Å; D383-R427 WeakPolarHBondContact CA-O 3.28Å; D383-R427 IonicContact OD1-CZ 3.64Å; D383-R427 IonicContact OD1-NE 2.91Å; D383-R427 PolarHBondContact OD1-NE 2.91Å; D383-R427 IonicContact OD1-NH2 3.96Å; D383-R427 PolarHBondContact OD1-NH2 3.03Å; D383-R427 IonicContact OD2-CZ 3.92Å; D383-R427 IonicContact OD2-NE 2.94Å; D383-R427 IonicContact OD2-NH2 2.76Å; D383-R427 PolarHBondContact OD2-NH2 3.2Å; A384-R427 WeakPolarHBondContact CB-O 3.45Å; A384-R427 PolarHBondContact N-O 3.06Å; S425-R427 PolarHBondContact O-N 3.41Å; S425-R427 PolarHBondContact OG-N 2.67Å; R427-V429 PolarHBondContact O-N 3Å; R427-V429 VanDerWaalsContact O-N 3.16Å; R427-E543 IonicContact NH1-OE1 2.88Å; R427-E543 PolarHBondContact NH1-OE1 3.1Å
428D98.3Very high97.4Very high2 Ų219.9 Ų19.91%0.01111%0.105CC..BIsolated β-bridgetrans-74.6100.7172.2-79.2-66.1000110.1P380 F381 L382 S425 H430 H431 F440P380-D428 WeakPolarHBondContact CA-OD1 3.45Å; F381-D428 PolarHBondContact N-OD1 3.3Å; L382-D428 PolarHBondContact N-OD1 2.69Å; S425-D428 WeakPolarHBondContact CB-OD2 3.43Å; S425-D428 PolarHBondContact N-OD2 2.89Å; S425-D428 WeakPolarHBondContact O-CB 3.42Å; S425-D428 PolarHBondContact O-N 3.26Å; D428-H430 PolarHBondContact O-N 3.04Å; D428-H430 IonicContact OD1-CE1 2.98Å; D428-H431 HydrophobicContact CB-CB 4.02Å; D428-H431 PolarHBondContact O-N 3.2Å; D428-F440 HydrophobicContact CB-CE1 4.26Å; D428-F440 HydrophobicContact CB-CZ 4.38Å; D428-F440 WeakPolarHBondContact OD2-CZ 3.31Å
429V97.9Very high97.5Very high46 Ų4620.6 Ų20.628%0.27911%0.11SC..THydrogen-bonded Turntrans-59.1-23.1-169.3720000114.8L382 A384 V389 F398 R427L382-V429 HydrophobicContact CB-CG1 4.24Å; L382-V429 HydrophobicContact CD2-CG1 3.47Å; L382-V429 VanDerWaalsContact CD2-CG1 3.47Å; L382-V429 HydrophobicContact CG-CG1 3.58Å; L382-V429 PolarHBondContact O-N 3.48Å; L382-V429 VanDerWaalsContact O-N 3.08Å; A384-V429 HydrophobicContact CB-CB 3.93Å; A384-V429 HydrophobicContact CB-CG2 4.17Å; V389-V429 HydrophobicContact CG1-CB 3.95Å; V389-V429 HydrophobicContact CG1-CG1 3.85Å; V389-V429 HydrophobicContact CG1-CG2 3.77Å; F398-V429 HydrophobicContact CB-CG1 3.88Å; F398-V429 HydrophobicContact CD1-CG1 4.19Å; F398-V429 HydrophobicContact CD2-CG1 3.91Å; F398-V429 HydrophobicContact CD2-CG2 3.85Å; F398-V429 HydrophobicContact CE2-CG1 4.49Å; F398-V429 HydrophobicContact CE2-CG2 3.8Å; F398-V429 HydrophobicContact CG-CG1 3.75Å; F398-V429 HydrophobicContact CG-CG2 4.5Å; F398-V429 HydrophobicContact CZ-CG2 4.41Å; R427-V429 PolarHBondContact O-N 3Å; R427-V429 VanDerWaalsContact O-N 3.16Å
430H96.7Very high97.5Very high38 Ų3819.2 Ų19.218%0.17610%0.104CC..THydrogen-bonded Turntrans-88-13.2-17971.7-75.8000113F398 E399 F402 D428 F440F398-H430 HydrophobicContact CB-CB 4.17Å; E399-H430 IonicContact OE2-CD2 3.94Å; E399-H430 PolarHBondContact OE2-CD2 3.34Å; F402-H430 AromaticContact CD1-CD2 3.53Å; F402-H430 AromaticContact CD1-CE1 3.68Å; F402-H430 AromaticContact CD1-NE2 3.19Å; F402-H430 WeakPolarHBondContact CD1-NE2 3.29Å; F402-H430 AromaticContact CD2-CE1 3.11Å; F402-H430 WeakPolarHBondContact CD2-CE1 3.34Å; F402-H430 AromaticContact CD2-ND1 3.78Å; F402-H430 AromaticContact CD2-NE2 3.5Å; F402-H430 AromaticContact CE1-CE1 3.97Å; F402-H430 AromaticContact CE1-NE2 3.3Å; F402-H430 VanDerWaalsContact CE1-NE2 3.3Å; F402-H430 WeakPolarHBondContact CE1-NE2 3.28Å; F402-H430 AromaticContact CE2-CE1 3.44Å; F402-H430 VanDerWaalsContact CE2-CE1 3.44Å; F402-H430 WeakPolarHBondContact CE2-CE1 3.34Å; F402-H430 AromaticContact CE2-NE2 3.6Å; F402-H430 AromaticContact CG-CD2 3.71Å; F402-H430 AromaticContact CG-CE1 3.22Å; F402-H430 WeakPolarHBondContact CG-CE1 3.45Å; F402-H430 AromaticContact CG-CG 3.92Å; F402-H430 AromaticContact CG-ND1 3.61Å; F402-H430 AromaticContact CG-NE2 3.28Å; F402-H430 VanDerWaalsContact CG-NE2 3.28Å; F402-H430 WeakPolarHBondContact CG-NE2 3.04Å; F402-H430 AromaticContact CZ-CE1 3.86Å; F402-H430 AromaticContact CZ-NE2 3.5Å; F402-H430 WeakPolarHBondContact CZ-NE2 3.37Å; D428-H430 PolarHBondContact O-N 3.04Å; D428-H430 IonicContact OD1-CE1 2.98Å; H430-F440 AromaticContact CE1-CE1 3.55Å; H430-F440 AromaticContact NE2-CD1 3.56Å; H430-F440 AromaticContact NE2-CE1 3.41Å; H430-F440 WeakPolarHBondContact NE2-CE1 3.47Å
431H97.2Very high97.1Very high31 Ų3123.9 Ų23.914%0.14414%0.137CC..SBendtrans-104.1169.3-169.9-159.954.6000112.3D428 P433 P438 F440D428-H431 HydrophobicContact CB-CB 4.02Å; D428-H431 PolarHBondContact O-N 3.2Å; H431-P433 WeakPolarHBondContact O-CD 3.27Å; H431-P438 PolarHBondContact CE1-O 2.99Å; H431-P438 PolarHBondContact NE2-O 2.96Å; H431-F440 HydrophobicContact CB-CD1 4.44Å; H431-F440 HydrophobicContact CB-CE1 3.99Å; H431-F440 AromaticContact CE1-CD1 3.97Å; H431-F440 AromaticContact CG-CD1 3.91Å; H431-F440 AromaticContact CG-CE1 3.81Å; H431-F440 AromaticContact ND1-CD1 3.74Å
432E94.9Very high96.8Very high53 Ų5325 Ų2525%0.24814%0.141CC..  trans-57.7120.5179.7-172.475.4-143.600111.1S208 V434 Q437S208-E432 PolarHBondContact OG-OE1 2.99Å; E432-V434 HydrophobicContact CG-CB 4.34Å; E432-V434 PolarHBondContact O-N 2.79Å; E432-V434 VanDerWaalsContact O-N 3.1Å; E432-Q437 PolarHBondContact O-NE2 2.95Å
433P96.1Very high96.2Very high87 Ų8729.5 Ų29.557%0.56517%0.172SC*.  trans-87.835-173.837.1-37.6000112.8H431H431-P433 WeakPolarHBondContact O-CD 3.27Å
434V97.1Very high95.8Very high21 Ų2133.8 Ų33.813%0.12720%0.195CC..SBendtrans-131.2129.5-175.5-175.10000109.9E432 P436 Q437 D521E432-V434 HydrophobicContact CG-CB 4.34Å; E432-V434 PolarHBondContact O-N 2.79Å; E432-V434 VanDerWaalsContact O-N 3.1Å; V434-P436 CarbonylContact O-C 3.44Å; V434-Q437 WeakPolarHBondContact O-CG 3.27Å; V434-D521 HydrophobicContact CG1-CB 3.79Å
435Y97.8Very high95.4Very high0 Ų035 Ų350%020%0.202CC..BIsolated β-bridgetrans-91.1140.5177-178.7-93000111.1E458 P459 Y508 M518 A519 I520 D521 F525 A529Y435-E458 HydrophobicContact CD2-CG 4.29Å; Y435-E458 HydrophobicContact CE2-CG 4.22Å; Y435-P459 HydrophobicContact CE2-CG 4.31Å; Y435-P459 WeakPolarHBondContact OH-CD 3.46Å; Y435-P459 VanDerWaalsContact OH-CG 3.31Å; Y435-P459 WeakPolarHBondContact OH-CG 3.34Å; Y435-Y508 VanDerWaalsContact OH-CB 3.26Å; Y435-Y508 WeakPolarHBondContact OH-CB 3.42Å; Y435-M518 HydrophobicContact CD1-CE 3.7Å; Y435-M518 HydrophobicContact CD2-CE 3.94Å; Y435-M518 HydrophobicContact CE1-CE 4.08Å; Y435-M518 HydrophobicContact CE2-CE 4.32Å; Y435-M518 HydrophobicContact CG-CE 3.61Å; Y435-A519 WeakPolarHBondContact CB-O 3.49Å; Y435-A519 PolarHBondContact N-O 2.77Å; Y435-I520 HydrophobicContact CD1-CD1 4.3Å; Y435-I520 HydrophobicContact CD1-CG1 4.09Å; Y435-I520 HydrophobicContact CD1-CG2 4.33Å; Y435-I520 CarbonylContact O-C 3.52Å; Y435-I520 WeakPolarHBondContact O-CA 3.2Å; Y435-D521 PolarHBondContact O-N 3.04Å; Y435-F525 HydrophobicContact CD1-CD2 4.24Å; Y435-F525 AromaticContact CE1-CD2 3.77Å; Y435-F525 HydrophobicContact CE1-CD2 3.77Å; Y435-F525 HydrophobicContact CE1-CE2 4.09Å; Y435-A529 HydrophobicContact CE1-CB 3.86Å
436P96.7Very high95.1Very high1 Ų137 Ų371%0.00622%0.215CC..SBendcis-67140.4-8.3-22.836.9000113.5L202 Y206 V434 E458 T524 F525 A529L202-P436 HydrophobicContact CD2-CB 4.5Å; Y206-P436 VanDerWaalsContact CE1-O 3.28Å; Y206-P436 WeakPolarHBondContact CE1-O 3.18Å; Y206-P436 PolarHBondContact OH-O 2.93Å; V434-P436 CarbonylContact O-C 3.44Å; P436-E458 CarbonylContact C-O 3.58Å; P436-E458 VanDerWaalsContact CA-O 3.23Å; P436-E458 WeakPolarHBondContact CA-O 3.5Å; P436-E458 WeakPolarHBondContact CB-O 3.44Å; P436-T524 HydrophobicContact CG-CG2 4.29Å; P436-F525 HydrophobicContact CG-CB 4.43Å; P436-A529 HydrophobicContact CG-CB 3.82Å
437Q96.8Very high94.7Very high0 Ų045.8 Ų45.80%025%0.245CC..BIsolated β-bridgetrans-88.2140.6179.4-59.7174.1-69.900111.9P424 S425 L426 E432 V434 S457 E458P424-Q437 HydrophobicContact CG-CB 4.16Å; S425-Q437 VanDerWaalsContact C-NE2 3.3Å; S425-Q437 VanDerWaalsContact CA-OE1 3.28Å; S425-Q437 PolarHBondContact O-NE2 3.12Å; S425-Q437 PolarHBondContact O-OE1 3.37Å; L426-Q437 HydrophobicContact CD2-CG 3.79Å; E432-Q437 PolarHBondContact O-NE2 2.95Å; V434-Q437 WeakPolarHBondContact O-CG 3.27Å; Q437-S457 WeakPolarHBondContact O-CA 3.43Å; Q437-S457 VanDerWaalsContact O-CB 3.26Å; Q437-S457 WeakPolarHBondContact O-CB 3.27Å; Q437-E458 HydrophobicContact CB-CB 4.17Å; Q437-E458 PolarHBondContact N-O 3.4Å; Q437-E458 PolarHBondContact O-N 2.99Å
438P96.8Very high94.3Very high4 Ų450.7 Ų50.73%0.02627%0.27CS..PPolyproline II helixtrans-69164.6170.832.9-37.2000111.4L202 G204 H431L202-P438 HydrophobicContact CD2-CB 4.24Å; L202-P438 HydrophobicContact CG-CB 4.28Å; G204-P438 WeakPolarHBondContact O-CB 3.35Å; H431-P438 PolarHBondContact CE1-O 2.99Å; H431-P438 PolarHBondContact NE2-O 2.96Å
439P97.4Very high94.1Very high18 Ų1850.8 Ų50.812%0.11727%0.271CS..PPolyproline II helixtrans-57.8155.1172.6-2030.3000113L202 F455 V456L202-P439 WeakPolarHBondContact O-CD 3.46Å; L202-P439 WeakPolarHBondContact O-CG 3.42Å; P439-F455 HydrophobicContact CB-CB 3.91Å; P439-V456 WeakPolarHBondContact CA-O 3.42Å
440F96.8Very high93.8Very high9 Ų955 Ų554%0.03929%0.285CS..PPolyproline II helixtrans-60.7147.4171.2-67.9-61.1000112.3F381 F402 F422 P424 D428 H430 H431 F455F381-F440 AromaticContact CD2-CE2 3.88Å; F381-F440 HydrophobicContact CD2-CE2 3.88Å; F381-F440 AromaticContact CD2-CZ 3.9Å; F381-F440 HydrophobicContact CD2-CZ 3.9Å; F381-F440 AromaticContact CE2-CE2 3.72Å; F381-F440 HydrophobicContact CE2-CE2 3.72Å; F381-F440 HydrophobicContact CE2-CZ 4.17Å; F402-F440 HydrophobicContact CE1-CD1 4.2Å; F402-F440 HydrophobicContact CE1-CG 4.41Å; F402-F440 HydrophobicContact CE2-CD1 4.2Å; F402-F440 HydrophobicContact CE2-CD2 4.47Å; F402-F440 HydrophobicContact CE2-CE1 4Å; F402-F440 HydrophobicContact CE2-CE2 4.27Å; F402-F440 HydrophobicContact CE2-CG 4.42Å; F402-F440 HydrophobicContact CE2-CZ 4.02Å; F402-F440 HydrophobicContact CZ-CB 4.13Å; F402-F440 AromaticContact CZ-CD1 3.61Å; F402-F440 HydrophobicContact CZ-CD1 3.61Å; F402-F440 HydrophobicContact CZ-CD2 4Å; F402-F440 AromaticContact CZ-CE1 3.89Å; F402-F440 HydrophobicContact CZ-CE1 3.89Å; F402-F440 HydrophobicContact CZ-CE2 4.25Å; F402-F440 AromaticContact CZ-CG 3.66Å; F402-F440 HydrophobicContact CZ-CG 3.66Å; F402-F440 HydrophobicContact CZ-CZ 4.19Å; F422-F440 HydrophobicContact CB-CD2 4.29Å; P424-F440 VanDerWaalsContact CA-CZ 3.45Å; P424-F440 HydrophobicContact CB-CD1 4.39Å; P424-F440 HydrophobicContact CB-CD2 4.35Å; P424-F440 HydrophobicContact CB-CE1 3.84Å; P424-F440 HydrophobicContact CB-CE2 3.8Å; P424-F440 HydrophobicContact CB-CZ 3.53Å; D428-F440 HydrophobicContact CB-CE1 4.26Å; D428-F440 HydrophobicContact CB-CZ 4.38Å; D428-F440 WeakPolarHBondContact OD2-CZ 3.31Å; H430-F440 AromaticContact CE1-CE1 3.55Å; H430-F440 AromaticContact NE2-CD1 3.56Å; H430-F440 AromaticContact NE2-CE1 3.41Å; H430-F440 WeakPolarHBondContact NE2-CE1 3.47Å; H431-F440 HydrophobicContact CB-CD1 4.44Å; H431-F440 HydrophobicContact CB-CE1 3.99Å; H431-F440 AromaticContact CE1-CD1 3.97Å; H431-F440 AromaticContact CG-CD1 3.91Å; H431-F440 AromaticContact CG-CE1 3.81Å; H431-F440 AromaticContact ND1-CD1 3.74Å; F440-F455 HydrophobicContact CB-CD1 3.81Å; F440-F455 HydrophobicContact CB-CE1 4.31Å; F440-F455 HydrophobicContact CB-CG 4.34Å; F440-F455 HydrophobicContact CD2-CD1 4.2Å
441S90.1Very high93.5Very high101 Ų10161.1 Ų61.171%0.70631%0.311SS*.  trans-99.6107173.9-68.20000110.7
442Y91.7Very high93.2Very high24 Ų2462.2 Ų62.29%0.09432%0.316CS..  trans-137.2109.9177.9-167-104.2000111.8K403 L406 I410 D444 L445 F455K403-Y442 HydrophobicContact CB-CE2 3.92Å; K403-Y442 HydrophobicContact CD-CE2 4.43Å; K403-Y442 HydrophobicContact CG-CD2 4Å; K403-Y442 HydrophobicContact CG-CE2 3.75Å; L406-Y442 HydrophobicContact CB-CE2 4.49Å; L406-Y442 HydrophobicContact CD2-CD1 3.98Å; L406-Y442 HydrophobicContact CD2-CD2 3.56Å; L406-Y442 HydrophobicContact CD2-CE1 4.37Å; L406-Y442 HydrophobicContact CD2-CE2 3.95Å; L406-Y442 HydrophobicContact CD2-CG 3.55Å; I410-Y442 HydrophobicContact CD1-CD1 4.45Å; I410-Y442 HydrophobicContact CD1-CE1 4.06Å; Y442-D444 HydrophobicContact CE1-CB 3.95Å; Y442-D444 WeakPolarHBondContact CE1-O 3.27Å; Y442-D444 HydrophobicContact CE2-CB 4.4Å; Y442-L445 HydrophobicContact CD1-CD2 3.71Å; Y442-L445 HydrophobicContact CD1-CG 3.81Å; Y442-L445 HydrophobicContact CE1-CD2 3.76Å; Y442-L445 HydrophobicContact CE1-CG 4.19Å; Y442-F455 HydrophobicContact CD1-CZ 4.27Å; Y442-F455 HydrophobicContact CG-CZ 4.27Å
443S87.3Confident93.3Very high93 Ų9360.3 Ų60.365%0.6531%0.309SS*.  trans-88.1-21-176.751.80000114.5L445S443-L445 PolarHBondContact O-N 3.2Å
444D89.1Confident93.3Very high90 Ų9058.6 Ų58.648%0.48129%0.293SS..  trans-83.448-167.2-64.5-10000112.1Y442Y442-D444 HydrophobicContact CE1-CB 3.95Å; Y442-D444 WeakPolarHBondContact CE1-O 3.27Å; Y442-D444 HydrophobicContact CE2-CB 4.4Å
445L90.9Very high93.4Very high27 Ų2759.4 Ų59.414%0.14130%0.295CS..  trans-105.7131.2177.8-63.6177.6000111.2I410 Y442 S443 D449 K450 V453 F455I410-L445 HydrophobicContact CD1-CD2 3.67Å; Y442-L445 HydrophobicContact CD1-CD2 3.71Å; Y442-L445 HydrophobicContact CD1-CG 3.81Å; Y442-L445 HydrophobicContact CE1-CD2 3.76Å; Y442-L445 HydrophobicContact CE1-CG 4.19Å; S443-L445 PolarHBondContact O-N 3.2Å; L445-D449 HydrophobicContact CB-CB 4.25Å; L445-D449 HydrophobicContact CD2-CB 3.95Å; L445-K450 HydrophobicContact CB-CG 3.67Å; L445-K450 HydrophobicContact CD1-CG 4.15Å; L445-K450 WeakPolarHBondContact O-CE 3.36Å; L445-V453 HydrophobicContact CD1-CB 4.29Å; L445-V453 HydrophobicContact CD1-CG1 4.29Å; L445-V453 HydrophobicContact CD2-CB 4.4Å; L445-V453 HydrophobicContact CD2-CG1 4.43Å; L445-V453 HydrophobicContact CD2-CG2 4.3Å; L445-F455 HydrophobicContact CD1-CE2 4.06Å
446S91.8Very high93.4Very high46 Ų4659.5 Ų59.532%0.32230%0.296SS..  trans-65.2166.4167.577.60000111E448 D449 K450S446-E448 PolarHBondContact O-N 2.93Å; S446-E448 PolarHBondContact OG-N 3.46Å; S446-D449 VanDerWaalsContact CB-OD2 3.27Å; S446-D449 WeakPolarHBondContact CB-OD2 3.43Å; S446-D449 PolarHBondContact N-OD2 3.22Å; S446-D449 PolarHBondContact O-N 3.25Å; S446-D449 PolarHBondContact OG-N 3.1Å; S446-D449 VanDerWaalsContact OG-N 3.15Å; S446-D449 PolarHBondContact OG-OD2 3.08Å; S446-K450 WeakPolarHBondContact O-CG 3.37Å; S446-K450 PolarHBondContact O-N 3.41Å
447R89.9Confident93.4Very high228 Ų22859.9 Ų59.986%0.8630%0.298SS*.THydrogen-bonded Turntrans-60.8-28.1176.5-72-174.6178-161.4-0.7113
448E89.4Confident93.4Very high146 Ų14659.9 Ų59.968%0.68230%0.298SS*.THydrogen-bonded Turntrans-77-48.2178-65.2173.4-170.600110S446 K450 K451S446-E448 PolarHBondContact O-N 2.93Å; S446-E448 PolarHBondContact OG-N 3.46Å; E448-K450 VanDerWaalsContact C-N 3.25Å; E448-K450 PolarHBondContact O-N 3.4Å; E448-K451 WeakPolarHBondContact O-CB 3.28Å; E448-K451 PolarHBondContact O-N 3.41Å
449D93.3Very high93.5Very high3 Ų359.7 Ų59.72%0.01630%0.297CS..Hα-helixtrans-61.5-34.6179.5-54.3-45.4000111.5I410 R414 L445 S446 K451 Q452 V453I410-D449 HydrophobicContact CG2-CB 4.07Å; R414-D449 IonicContact CZ-OD1 3.64Å; R414-D449 IonicContact CZ-OD2 3.25Å; R414-D449 IonicContact NE-OD1 2.95Å; R414-D449 PolarHBondContact NE-OD1 3.2Å; R414-D449 IonicContact NE-OD2 2.94Å; R414-D449 IonicContact NH2-OD1 3.71Å; R414-D449 PolarHBondContact NH2-OD1 3.44Å; R414-D449 IonicContact NH2-OD2 3.46Å; R414-D449 PolarHBondContact NH2-OD2 3.13Å; L445-D449 HydrophobicContact CB-CB 4.25Å; L445-D449 HydrophobicContact CD2-CB 3.95Å; S446-D449 VanDerWaalsContact CB-OD2 3.27Å; S446-D449 WeakPolarHBondContact CB-OD2 3.43Å; S446-D449 PolarHBondContact N-OD2 3.22Å; S446-D449 PolarHBondContact O-N 3.25Å; S446-D449 PolarHBondContact OG-N 3.1Å; S446-D449 VanDerWaalsContact OG-N 3.15Å; S446-D449 PolarHBondContact OG-OD2 3.08Å; D449-K451 PolarHBondContact O-N 2.79Å; D449-K451 VanDerWaalsContact O-N 3.09Å; D449-Q452 PolarHBondContact O-N 3.16Å; D449-V453 HydrophobicContact CB-CG2 4.4Å; D449-V453 WeakPolarHBondContact O-CB 3.31Å; D449-V453 WeakPolarHBondContact O-CG2 3.39Å; D449-V453 PolarHBondContact O-N 2.88Å
450K92.4Very high93.5Very high134 Ų13459 Ų5958%0.58329%0.293SS*.Hα-helixtrans-59.3-20175.5-76-177.5-176.4-170.40114.7L445 S446 E448L445-K450 HydrophobicContact CB-CG 3.67Å; L445-K450 HydrophobicContact CD1-CG 4.15Å; L445-K450 WeakPolarHBondContact O-CE 3.36Å; S446-K450 WeakPolarHBondContact O-CG 3.37Å; S446-K450 PolarHBondContact O-N 3.41Å; E448-K450 VanDerWaalsContact C-N 3.25Å; E448-K450 PolarHBondContact O-N 3.4Å
451K89.9Confident93.5Very high167 Ų16759 Ų5973%0.72629%0.294SS*.Hα-helixtrans-88.3-24.7175.1-62.2-178.6-180-178.40112.3H419 E448 D449H419-K451 PolarHBondContact CD2-O 2.95Å; E448-K451 WeakPolarHBondContact O-CB 3.28Å; E448-K451 PolarHBondContact O-N 3.41Å; D449-K451 PolarHBondContact O-N 2.79Å; D449-K451 VanDerWaalsContact O-N 3.09Å
452Q91.6Very high93.9Very high54 Ų5454.2 Ų54.225%0.25226%0.26SS..Hα-helixtrans-99.4-26.3-174.8-66.7-179.1-2300112.4H419 L420 D449H419-Q452 CarbonylContact C-O 3.45Å; H419-Q452 VanDerWaalsContact CA-O 3.27Å; H419-Q452 WeakPolarHBondContact CA-O 3.44Å; L420-Q452 PolarHBondContact N-O 3.21Å; D449-Q452 PolarHBondContact O-N 3.16Å
453V96.6Very high94.1Very high14 Ų1453.4 Ų53.49%0.08526%0.258CS..EExtended strand (participates in β ladder)trans-103.9129.5-174.6179.80000110.6I410 L420 F422 L445 D449 F455I410-V453 HydrophobicContact CD1-CG1 4.43Å; I410-V453 HydrophobicContact CD1-CG2 4.14Å; I410-V453 HydrophobicContact CG1-CG2 3.91Å; I410-V453 HydrophobicContact CG2-CG2 4.09Å; L420-V453 HydrophobicContact CB-CG2 4.47Å; L420-V453 HydrophobicContact CD1-CG2 4.26Å; F422-V453 HydrophobicContact CD2-CG1 3.93Å; F422-V453 HydrophobicContact CE2-CG1 3.82Å; L445-V453 HydrophobicContact CD1-CB 4.29Å; L445-V453 HydrophobicContact CD1-CG1 4.29Å; L445-V453 HydrophobicContact CD2-CB 4.4Å; L445-V453 HydrophobicContact CD2-CG1 4.43Å; L445-V453 HydrophobicContact CD2-CG2 4.3Å; D449-V453 HydrophobicContact CB-CG2 4.4Å; D449-V453 WeakPolarHBondContact O-CB 3.31Å; D449-V453 WeakPolarHBondContact O-CG2 3.39Å; D449-V453 PolarHBondContact O-N 2.88Å; V453-F455 HydrophobicContact CG1-CD2 4.43Å; V453-F455 HydrophobicContact CG1-CE1 4.21Å; V453-F455 HydrophobicContact CG1-CE2 3.75Å; V453-F455 HydrophobicContact CG1-CZ 3.59Å
454Q96.7Very high94.5Very high50 Ų5049 Ų4923%0.23423%0.227CC..EExtended strand (participates in β ladder)trans-129.8129.8174.4-169.7172.82.600110.1V195 L420 V421 F422 V456V195-Q454 VanDerWaalsContact CG2-NE2 3.32Å; L420-Q454 PolarHBondContact O-N 2.98Å; V421-Q454 WeakPolarHBondContact CA-O 3.42Å; F422-Q454 PolarHBondContact N-O 2.84Å; Q454-V456 HydrophobicContact CG-CG1 4.18Å
455F97.6Very high94.7Very high38 Ų3845 Ų4517%0.16721%0.206CC..EExtended strand (participates in β ladder)trans-100.5133.2170.6-58.9-73.6000108.6L406 F422 P439 F440 Y442 L445 V453L406-F455 HydrophobicContact CD1-CE1 4.14Å; L406-F455 HydrophobicContact CD2-CE1 3.75Å; L406-F455 HydrophobicContact CD2-CZ 3.78Å; F422-F455 HydrophobicContact CB-CD1 3.61Å; F422-F455 HydrophobicContact CB-CE1 3.89Å; F422-F455 HydrophobicContact CD2-CD1 4.04Å; F422-F455 AromaticContact CD2-CE1 3.61Å; F422-F455 HydrophobicContact CD2-CE1 3.61Å; F422-F455 HydrophobicContact CD2-CZ 4.33Å; F422-F455 HydrophobicContact CE2-CE1 4.37Å; F422-F455 HydrophobicContact CG-CD1 4.09Å; F422-F455 AromaticContact CG-CE1 3.85Å; F422-F455 HydrophobicContact CG-CE1 3.85Å; P439-F455 HydrophobicContact CB-CB 3.91Å; F440-F455 HydrophobicContact CB-CD1 3.81Å; F440-F455 HydrophobicContact CB-CE1 4.31Å; F440-F455 HydrophobicContact CB-CG 4.34Å; F440-F455 HydrophobicContact CD2-CD1 4.2Å; Y442-F455 HydrophobicContact CD1-CZ 4.27Å; Y442-F455 HydrophobicContact CG-CZ 4.27Å; L445-F455 HydrophobicContact CD1-CE2 4.06Å; V453-F455 HydrophobicContact CG1-CD2 4.43Å; V453-F455 HydrophobicContact CG1-CE1 4.21Å; V453-F455 HydrophobicContact CG1-CE2 3.75Å; V453-F455 HydrophobicContact CG1-CZ 3.59Å
456V97.7Very high94.7Very high3 Ų343.7 Ų43.72%0.01820%0.199CC..  trans-126.4165.7178.2-60.80000110.7V195 V421 F422 V423 P424 P439 Q454 C460V195-V456 HydrophobicContact CG2-CG1 3.86Å; V421-V456 HydrophobicContact CG1-CG1 4.05Å; V421-V456 HydrophobicContact CG1-CG2 3.8Å; F422-V456 WeakPolarHBondContact O-CG2 3.43Å; F422-V456 PolarHBondContact O-N 2.76Å; F422-V456 VanDerWaalsContact O-N 3.12Å; V423-V456 HydrophobicContact CB-CG2 4.44Å; V423-V456 HydrophobicContact CG2-CG2 3.76Å; P424-V456 WeakPolarHBondContact CD-O 3.46Å; P439-V456 WeakPolarHBondContact CA-O 3.42Å; Q454-V456 HydrophobicContact CG-CG1 4.18Å; V456-C460 HydrophobicContact CB-CB 4.14Å; V456-C460 HydrophobicContact CG2-CB 4.03Å
457S97.6Very high94.9Very high8 Ų841.7 Ų41.76%0.05619%0.185CC..  trans-72.9170177.254.90000112.6Q437 P459 C460Q437-S457 WeakPolarHBondContact O-CA 3.43Å; Q437-S457 VanDerWaalsContact O-CB 3.26Å; Q437-S457 WeakPolarHBondContact O-CB 3.27Å; S457-P459 CarbonylContact C-O 3.57Å; S457-P459 VanDerWaalsContact C-O 3.3Å; S457-P459 WeakPolarHBondContact CB-O 3.41Å; S457-P459 CarbonylContact O-C 3.59Å; S457-P459 PolarHBondContact OG-O 2.89Å; S457-C460 WeakPolarHBondContact O-CB 3.26Å
458E97.6Very high95.2Very high0 Ų031 Ų310%014%0.144CC..BIsolated β-bridgetrans-118.2112.2166.2167.555.2-154.500109.2V423 P424 Y435 P436 Q437 T472 S473 T474V423-E458 HydrophobicContact CG1-CB 4.4Å; V423-E458 WeakPolarHBondContact CG1-OE2 3.49Å; P424-E458 HydrophobicContact CG-CB 3.73Å; Y435-E458 HydrophobicContact CD2-CG 4.29Å; Y435-E458 HydrophobicContact CE2-CG 4.22Å; P436-E458 CarbonylContact C-O 3.58Å; P436-E458 VanDerWaalsContact CA-O 3.23Å; P436-E458 WeakPolarHBondContact CA-O 3.5Å; P436-E458 WeakPolarHBondContact CB-O 3.44Å; Q437-E458 HydrophobicContact CB-CB 4.17Å; Q437-E458 PolarHBondContact N-O 3.4Å; Q437-E458 PolarHBondContact O-N 2.99Å; E458-T472 VanDerWaalsContact OE1-CA 3.3Å; E458-T472 WeakPolarHBondContact OE1-CA 3.32Å; E458-T472 WeakPolarHBondContact OE1-CB 3.33Å; E458-T472 PolarHBondContact OE1-OG1 3.21Å; E458-T472 VanDerWaalsContact OE2-CA 3.24Å; E458-T472 WeakPolarHBondContact OE2-CA 3.45Å; E458-S473 VanDerWaalsContact CD-OG 3.3Å; E458-S473 WeakPolarHBondContact CG-OG 3.37Å; E458-S473 PolarHBondContact OE1-N 3.13Å; E458-S473 PolarHBondContact OE2-N 3.38Å; E458-S473 PolarHBondContact OE2-OG 3.27Å; E458-T474 PolarHBondContact OE1-N 3Å; E458-T474 PolarHBondContact OE1-OG1 3.2Å
459P97.9Very high95.7Very high1 Ų124 Ų241%0.00611%0.112CC..SBendcis-80.61800.639.2-35.3000111.3Y435 S457 L471 Y508 A529Y435-P459 HydrophobicContact CE2-CG 4.31Å; Y435-P459 WeakPolarHBondContact OH-CD 3.46Å; Y435-P459 VanDerWaalsContact OH-CG 3.31Å; Y435-P459 WeakPolarHBondContact OH-CG 3.34Å; S457-P459 CarbonylContact C-O 3.57Å; S457-P459 VanDerWaalsContact C-O 3.3Å; S457-P459 WeakPolarHBondContact CB-O 3.41Å; S457-P459 CarbonylContact O-C 3.59Å; S457-P459 PolarHBondContact OG-O 2.89Å; P459-L471 CarbonylContact C-O 3.52Å; P459-L471 VanDerWaalsContact CA-O 3.29Å; P459-L471 WeakPolarHBondContact CA-O 3.35Å; P459-L471 VanDerWaalsContact CB-O 3.24Å; P459-L471 WeakPolarHBondContact CB-O 3.35Å; P459-Y508 HydrophobicContact CB-CD1 3.7Å; P459-Y508 HydrophobicContact CB-CD2 3.78Å; P459-Y508 HydrophobicContact CB-CE1 4.18Å; P459-Y508 HydrophobicContact CB-CE2 4.24Å; P459-Y508 HydrophobicContact CB-CG 3.48Å; P459-Y508 VanDerWaalsContact CB-CG 3.48Å; P459-Y508 HydrophobicContact CG-CD1 4.34Å; P459-Y508 HydrophobicContact CG-CD2 3.55Å; P459-Y508 HydrophobicContact CG-CE2 4.25Å; P459-Y508 HydrophobicContact CG-CG 3.61Å; P459-A529 HydrophobicContact CG-CB 3.95Å
460C97.4Very high95.9Very high4 Ų423.9 Ų23.93%0.02711%0.111CC..EExtended strand (participates in β ladder)trans-147.8139.8176.9174.50000111.8V456 S457 L471 Y508V456-C460 HydrophobicContact CB-CB 4.14Å; V456-C460 HydrophobicContact CG2-CB 4.03Å; S457-C460 WeakPolarHBondContact O-CB 3.26Å; C460-L471 HydrophobicContact CB-CB 4.3Å; C460-L471 HydrophobicContact CB-CD1 4.35Å; C460-L471 PolarHBondContact N-O 2.87Å; C460-L471 WeakPolarHBondContact O-CB 3.14Å; C460-L471 PolarHBondContact O-N 2.88Å; C460-Y508 PolarHBondContact O-OH 2.97Å
461S97.8Very high96.2Very high9 Ų917.5 Ų17.56%0.0638%0.083CC..EExtended strand (participates in β ladder)trans-101.7117.3165.3-54.80000108.7L196 F469 Y508 P532L196-S461 PolarHBondContact N-O 3.49Å; S461-F469 CarbonylContact C-O 3.58Å; S461-F469 WeakPolarHBondContact CA-O 3.34Å; S461-Y508 PolarHBondContact OG-OH 3.31Å; S461-P532 WeakPolarHBondContact OG-CD 3.5Å; S461-P532 WeakPolarHBondContact OG-CG 3.33Å
462L97.4Very high96.6Very high0 Ų09.6 Ų9.60%05%0.049CC..EExtended strand (participates in β ladder)trans-122.4127.8-173.2-179.969.5000110.7V195 V421 I464 F469 L471V195-L462 HydrophobicContact CG2-CD1 4.15Å; V421-L462 HydrophobicContact CG1-CD2 4.12Å; V421-L462 HydrophobicContact CG2-CD2 4.18Å; L462-I464 HydrophobicContact CD2-CD1 3.96Å; L462-I464 HydrophobicContact CD2-CG1 3.9Å; L462-I464 HydrophobicContact CG-CG1 3.99Å; L462-F469 HydrophobicContact CB-CB 4.45Å; L462-F469 PolarHBondContact N-O 2.71Å; L462-F469 WeakPolarHBondContact O-CB 3.48Å; L462-F469 PolarHBondContact O-N 2.95Å; L462-L471 HydrophobicContact CB-CD1 3.92Å; L462-L471 HydrophobicContact CD2-CD1 4.03Å
463S96.4Very high97Very high6 Ų67.1 Ų7.14%0.0424%0.038CC..EExtended strand (participates in β ladder)trans-91.9121.8169.5175.10000109.5L193 K194 L196 G466 V467L193-S463 WeakPolarHBondContact CA-O 3.41Å; K194-S463 PolarHBondContact N-O 3.41Å; K194-S463 PolarHBondContact O-N 2.91Å; L196-S463 VanDerWaalsContact CD1-CB 3.44Å; S463-G466 WeakPolarHBondContact OG-CA 2.94Å; S463-G466 PolarHBondContact OG-N 3.23Å; S463-V467 WeakPolarHBondContact CA-O 3.35Å
464I95.6Very high97Very high0 Ų06.8 Ų6.80%04%0.036CC..EExtended strand (participates in β ladder)trans-114.6107.3174-52.9-177.4000107L193 V342 V374 I376 L462 G466 V467 F469 L576L193-I464 HydrophobicContact CD2-CB 4.21Å; L193-I464 HydrophobicContact CD2-CD1 4.39Å; L193-I464 HydrophobicContact CD2-CG1 3.77Å; L193-I464 HydrophobicContact CD2-CG2 3.98Å; V342-I464 HydrophobicContact CG1-CD1 4.41Å; V342-I464 HydrophobicContact CG2-CD1 4.2Å; V342-I464 HydrophobicContact CG2-CG2 4.36Å; V374-I464 HydrophobicContact CG1-CD1 4.25Å; V374-I464 HydrophobicContact CG2-CG2 3.98Å; I376-I464 HydrophobicContact CD1-CD1 3.98Å; L462-I464 HydrophobicContact CD2-CD1 3.96Å; L462-I464 HydrophobicContact CD2-CG1 3.9Å; L462-I464 HydrophobicContact CG-CG1 3.99Å; I464-G466 PolarHBondContact O-N 2.92Å; I464-V467 PolarHBondContact N-O 3.19Å; I464-V467 WeakPolarHBondContact O-CB 3.27Å; I464-V467 PolarHBondContact O-N 3.15Å; I464-F469 HydrophobicContact CB-CD2 4.23Å; I464-F469 HydrophobicContact CB-CE2 4.11Å; I464-F469 HydrophobicContact CD1-CD2 3.78Å; I464-F469 HydrophobicContact CD1-CE2 3.82Å; I464-F469 HydrophobicContact CD1-CG 4.18Å; I464-F469 HydrophobicContact CD1-CZ 4.23Å; I464-F469 HydrophobicContact CG1-CD2 3.92Å; I464-F469 HydrophobicContact CG1-CE2 4.15Å; I464-L576 HydrophobicContact CG2-CD1 4.32Å
465N92.9Very high97Very high7 Ų75.2 Ų5.24%0.0373%0.029CC..THydrogen-bonded Turntrans51.343.6-177.2-69.4-3.4000112.6S192 F337 S340 V467S192-N465 PolarHBondContact N-OD1 3.08Å; S192-N465 PolarHBondContact O-N 3.26Å; F337-N465 HydrophobicContact CB-CB 3.87Å; F337-N465 HydrophobicContact CD1-CB 3.89Å; F337-N465 HydrophobicContact CD2-CB 3.88Å; F337-N465 WeakPolarHBondContact CD2-O 3.46Å; F337-N465 HydrophobicContact CE1-CB 4.42Å; F337-N465 HydrophobicContact CE2-CB 4.41Å; F337-N465 HydrophobicContact CG-CB 3.61Å; S340-N465 PolarHBondContact OG-ND2 3.46Å; N465-V467 PolarHBondContact O-N 2.98Å
466G91.7Very high96.9Very high0 Ų03.5 Ų3.50%02%0.021CC..THydrogen-bonded Turntrans770.4-179.300000114.7D334 S463 I464 R578D334-G466 VanDerWaalsContact OD1-CA 3.28Å; D334-G466 WeakPolarHBondContact OD1-CA 3.46Å; S463-G466 WeakPolarHBondContact OG-CA 2.94Å; S463-G466 PolarHBondContact OG-N 3.23Å; I464-G466 PolarHBondContact O-N 2.92Å; G466-R578 PolarHBondContact O-NH2 3.4Å
467V95.6Very high96.8Very high4 Ų43.3 Ų3.32%0.0242%0.021CC..EExtended strand (participates in β ladder)trans-93.8125.4175.5-176.90000109.7S463 I464 N465 F469 D536 V537 L576 P589S463-V467 WeakPolarHBondContact CA-O 3.35Å; I464-V467 PolarHBondContact N-O 3.19Å; I464-V467 WeakPolarHBondContact O-CB 3.27Å; I464-V467 PolarHBondContact O-N 3.15Å; N465-V467 PolarHBondContact O-N 2.98Å; V467-F469 HydrophobicContact CB-CE2 4.21Å; V467-F469 HydrophobicContact CG1-CD2 4.27Å; V467-F469 HydrophobicContact CG1-CE2 3.81Å; V467-D536 HydrophobicContact CG1-CB 3.77Å; V467-V537 HydrophobicContact CG1-CG2 4.41Å; V467-L576 HydrophobicContact CB-CD1 4.34Å; V467-L576 HydrophobicContact CG1-CD1 4.48Å; V467-L576 HydrophobicContact CG1-CD2 4.39Å; V467-L576 HydrophobicContact CG2-CD1 4.42Å; V467-P589 HydrophobicContact CB-CG 4.41Å; V467-P589 HydrophobicContact CG1-CB 4.21Å; V467-P589 HydrophobicContact CG1-CG 3.7Å; V467-P589 HydrophobicContact CG2-CB 3.68Å; V467-P589 HydrophobicContact CG2-CG 4.03Å
468I97.3Very high96.8Very high2 Ų27.5 Ų7.51%0.014%0.038CC..EExtended strand (participates in β ladder)trans-88.5118.2-174.6-50.2-51.3000111.2L196 Y328 V533 P535 D536 V537L196-I468 HydrophobicContact CD1-CD1 4.13Å; L196-I468 HydrophobicContact CD2-CD1 3.9Å; Y328-I468 VanDerWaalsContact CB-CG1 3.43Å; Y328-I468 HydrophobicContact CD1-CD1 3.94Å; Y328-I468 HydrophobicContact CD1-CG1 4Å; Y328-I468 HydrophobicContact CD2-CD1 4.37Å; Y328-I468 HydrophobicContact CE1-CD1 4.45Å; Y328-I468 HydrophobicContact CG-CD1 3.89Å; Y328-I468 HydrophobicContact CG-CG1 3.75Å; I468-V533 HydrophobicContact CG1-CG2 4.41Å; I468-V533 HydrophobicContact CG2-CG2 3.95Å; I468-P535 HydrophobicContact CG2-CB 4.38Å; I468-D536 PolarHBondContact N-OD2 3.48Å; I468-D536 PolarHBondContact O-N 2.81Å; I468-V537 PolarHBondContact O-N 2.82Å
469F98.6Very high96.7Very high0 Ų08.2 Ų8.20%04%0.041CC..EExtended strand (participates in β ladder)trans-100128.2172.2-76.9-108.1000110.5V342 I376 S461 L462 I464 V467 L471 V537 I539 L574 L576V342-F469 HydrophobicContact CG2-CZ 4.28Å; I376-F469 HydrophobicContact CD1-CD1 4.23Å; S461-F469 CarbonylContact C-O 3.58Å; S461-F469 WeakPolarHBondContact CA-O 3.34Å; L462-F469 HydrophobicContact CB-CB 4.45Å; L462-F469 PolarHBondContact N-O 2.71Å; L462-F469 WeakPolarHBondContact O-CB 3.48Å; L462-F469 PolarHBondContact O-N 2.95Å; I464-F469 HydrophobicContact CB-CD2 4.23Å; I464-F469 HydrophobicContact CB-CE2 4.11Å; I464-F469 HydrophobicContact CD1-CD2 3.78Å; I464-F469 HydrophobicContact CD1-CE2 3.82Å; I464-F469 HydrophobicContact CD1-CG 4.18Å; I464-F469 HydrophobicContact CD1-CZ 4.23Å; I464-F469 HydrophobicContact CG1-CD2 3.92Å; I464-F469 HydrophobicContact CG1-CE2 4.15Å; V467-F469 HydrophobicContact CB-CE2 4.21Å; V467-F469 HydrophobicContact CG1-CD2 4.27Å; V467-F469 HydrophobicContact CG1-CE2 3.81Å; F469-L471 HydrophobicContact CB-CD2 3.87Å; F469-L471 HydrophobicContact CB-CG 4.33Å; F469-L471 HydrophobicContact CD1-CD2 4.3Å; F469-V537 CarbonylContact C-O 3.55Å; F469-V537 VanDerWaalsContact CA-O 3.25Å; F469-V537 WeakPolarHBondContact CA-O 3.32Å; F469-V537 HydrophobicContact CD1-CB 3.84Å; F469-V537 HydrophobicContact CD1-CG1 3.87Å; F469-V537 HydrophobicContact CE1-CB 3.78Å; F469-V537 HydrophobicContact CE1-CG1 3.63Å; F469-V537 HydrophobicContact CE1-CG2 4.17Å; F469-V537 HydrophobicContact CE2-CB 4.48Å; F469-V537 HydrophobicContact CE2-CG2 4.38Å; F469-V537 HydrophobicContact CG-CB 4.25Å; F469-V537 HydrophobicContact CZ-CB 4.11Å; F469-V537 HydrophobicContact CZ-CG1 4.31Å; F469-V537 HydrophobicContact CZ-CG2 4.03Å; F469-I539 HydrophobicContact CD1-CD1 4.36Å; F469-I539 HydrophobicContact CD1-CG1 3.98Å; F469-I539 HydrophobicContact CE1-CD1 4.37Å; F469-I539 HydrophobicContact CE1-CG1 4.44Å; F469-L574 HydrophobicContact CE1-CD2 4.26Å; F469-L576 HydrophobicContact CE2-CD1 3.58Å; F469-L576 HydrophobicContact CE2-CD2 4.3Å; F469-L576 HydrophobicContact CZ-CD1 3.68Å; F469-L576 HydrophobicContact CZ-CD2 3.91Å; F469-L576 HydrophobicContact CZ-CG 4.32Å
470G98.5Very high96.7Very high0 Ų08.2 Ų8.20%04%0.041CC..EExtended strand (participates in β ladder)trans-92.6126.5160.800000110Y508 V537 I539G470-Y508 WeakPolarHBondContact CA-OH 3.39Å; G470-V537 PolarHBondContact N-O 3.1Å; G470-I539 PolarHBondContact O-N 3.39Å
471L98.7Very high96.6Very high0 Ų08.1 Ų8.10%04%0.041CC..EExtended strand (participates in β ladder)trans-121.9124.9-174.5-50.4178.3000109.4I376 F378 V423 P459 C460 L462 F469 I539I376-L471 HydrophobicContact CD1-CD2 3.94Å; I376-L471 HydrophobicContact CG2-CD1 4.19Å; I376-L471 HydrophobicContact CG2-CD2 4.34Å; F378-L471 HydrophobicContact CE1-CB 4.02Å; F378-L471 HydrophobicContact CZ-CB 3.96Å; F378-L471 HydrophobicContact CZ-CD2 3.9Å; F378-L471 HydrophobicContact CZ-CG 4.44Å; V423-L471 HydrophobicContact CG2-CD1 4.23Å; P459-L471 CarbonylContact C-O 3.52Å; P459-L471 VanDerWaalsContact CA-O 3.29Å; P459-L471 WeakPolarHBondContact CA-O 3.35Å; P459-L471 VanDerWaalsContact CB-O 3.24Å; P459-L471 WeakPolarHBondContact CB-O 3.35Å; C460-L471 HydrophobicContact CB-CB 4.3Å; C460-L471 HydrophobicContact CB-CD1 4.35Å; C460-L471 PolarHBondContact N-O 2.87Å; C460-L471 WeakPolarHBondContact O-CB 3.14Å; C460-L471 PolarHBondContact O-N 2.88Å; L462-L471 HydrophobicContact CB-CD1 3.92Å; L462-L471 HydrophobicContact CD2-CD1 4.03Å; F469-L471 HydrophobicContact CB-CD2 3.87Å; F469-L471 HydrophobicContact CB-CG 4.33Å; F469-L471 HydrophobicContact CD1-CD2 4.3Å; L471-I539 HydrophobicContact CD2-CB 4.04Å; L471-I539 HydrophobicContact CD2-CG1 3.86Å
472T98.4Very high96.4Very high2 Ų29.4 Ų9.41%0.0125%0.052CC..  trans-143.2139.4167.8178.30000110.2F378 E458 T474 Y508 I539 I540 P541F378-T472 WeakPolarHBondContact CE1-O 3.44Å; E458-T472 VanDerWaalsContact OE1-CA 3.3Å; E458-T472 WeakPolarHBondContact OE1-CA 3.32Å; E458-T472 WeakPolarHBondContact OE1-CB 3.33Å; E458-T472 PolarHBondContact OE1-OG1 3.21Å; E458-T472 VanDerWaalsContact OE2-CA 3.24Å; E458-T472 WeakPolarHBondContact OE2-CA 3.45Å; T472-T474 PolarHBondContact OG1-N 3.45Å; T472-Y508 HydrophobicContact CG2-CD1 4.42Å; T472-I539 PolarHBondContact N-O 3.06Å; T472-I540 HydrophobicContact CG2-CB 4.35Å; T472-I540 HydrophobicContact CG2-CD1 4.4Å; T472-I540 HydrophobicContact CG2-CG1 4.14Å; T472-P541 WeakPolarHBondContact O-CD 3.35Å
473S98.2Very high96.3Very high1 Ų112.2 Ų12.21%0.0077%0.065CC..  trans-95.7-18.8175.476.70000112.7P424 S425 E458P424-S473 VanDerWaalsContact O-CB 3.25Å; P424-S473 WeakPolarHBondContact O-CB 3.44Å; P424-S473 PolarHBondContact O-OG 3.16Å; S425-S473 VanDerWaalsContact CA-OG 3.31Å; S425-S473 WeakPolarHBondContact CA-OG 3.5Å; E458-S473 VanDerWaalsContact CD-OG 3.3Å; E458-S473 WeakPolarHBondContact CG-OG 3.37Å; E458-S473 PolarHBondContact OE1-N 3.13Å; E458-S473 PolarHBondContact OE2-N 3.38Å; E458-S473 PolarHBondContact OE2-OG 3.27Å
474T97.1Very high96.3Very high8 Ų812.7 Ų12.75%0.0497%0.067CC..SBendtrans-63.5139175.4-62.50000110.9E458 T472 L476 Y509 M518E458-T474 PolarHBondContact OE1-N 3Å; E458-T474 PolarHBondContact OE1-OG1 3.2Å; T472-T474 PolarHBondContact OG1-N 3.45Å; T474-L476 PolarHBondContact O-N 3.16Å; T474-Y509 HydrophobicContact CG2-CD2 3.96Å; T474-Y509 HydrophobicContact CG2-CE2 3.92Å; T474-M518 HydrophobicContact CG2-CE 3.69Å; T474-M518 HydrophobicContact CG2-SD 3.65Å
475D96.8Very high96.3Very high17 Ų1713.6 Ų13.69%0.0917%0.071CC..  trans-80.652.1-177.7-149.8-35.7000113L477 F478 H479 S542 E543 R561D475-L477 PolarHBondContact O-N 2.98Å; D475-L477 VanDerWaalsContact O-N 3.15Å; D475-F478 HydrophobicContact CB-CB 4.29Å; D475-F478 PolarHBondContact O-N 3Å; D475-F478 WeakPolarHBondContact OD1-CB 3.42Å; D475-F478 PolarHBondContact OD1-N 3.11Å; D475-H479 PolarHBondContact O-CD2 3.46Å; D475-H479 PolarHBondContact O-N 3.27Å; D475-S542 WeakPolarHBondContact OD1-CA 3.36Å; D475-S542 WeakPolarHBondContact OD1-CB 3.47Å; D475-S542 PolarHBondContact OD1-OG 3.29Å; D475-S542 VanDerWaalsContact OD2-CA 3.29Å; D475-S542 WeakPolarHBondContact OD2-CA 3.44Å; D475-S542 PolarHBondContact OD2-OG 3.31Å; D475-E543 PolarHBondContact OD2-N 3.26Å; D475-R561 IonicContact OD2-NH2 3.2Å; D475-R561 PolarHBondContact OD2-NH2 2.94Å; D475-R561 VanDerWaalsContact OD2-NH2 3.08Å
476L96.8Very high96.4Very high1 Ų115.4 Ų15.41%0.0058%0.084CC..Hα-helixtrans-57.3-33.6-175.6173.665.8000112.8T474 F478 H479 L480 I502 Y508 Y509 I540T474-L476 PolarHBondContact O-N 3.16Å; L476-F478 VanDerWaalsContact C-N 3.34Å; L476-F478 PolarHBondContact O-N 3.41Å; L476-H479 PolarHBondContact O-N 3.1Å; L476-L480 HydrophobicContact CD1-CD1 3.65Å; L476-L480 HydrophobicContact CD1-CG 3.68Å; L476-L480 HydrophobicContact CD2-CD1 4.34Å; L476-L480 HydrophobicContact CG-CD1 3.86Å; L476-L480 HydrophobicContact CG-CG 4.29Å; L476-L480 WeakPolarHBondContact O-CB 3.15Å; L476-L480 PolarHBondContact O-N 2.65Å; L476-I502 HydrophobicContact CD2-CD1 3.53Å; L476-I502 HydrophobicContact CD2-CG1 3.63Å; L476-I502 HydrophobicContact CD2-CG2 4.23Å; L476-I502 HydrophobicContact CG-CD1 4.02Å; L476-I502 HydrophobicContact CG-CG1 4.34Å; L476-Y508 VanDerWaalsContact CD2-O 3.25Å; L476-Y508 WeakPolarHBondContact CD2-O 3.45Å; L476-Y509 HydrophobicContact CB-CD2 4.31Å; L476-Y509 HydrophobicContact CD1-CD2 3.5Å; L476-Y509 VanDerWaalsContact CD1-CD2 3.5Å; L476-Y509 HydrophobicContact CD1-CE2 3.66Å; L476-Y509 HydrophobicContact CD1-CG 4.11Å; L476-Y509 HydrophobicContact CG-CD2 4.4Å; L476-I540 HydrophobicContact CB-CD1 4.15Å; L476-I540 HydrophobicContact CD2-CD1 4.27Å
477L95.3Very high96.3Very high0 Ų017.5 Ų17.50%010%0.099CC..Hα-helixtrans-61.9-41.9176.3-76.6171000112.2D475 G481 I498 L499 I502 I540 L544 F547 N558D475-L477 PolarHBondContact O-N 2.98Å; D475-L477 VanDerWaalsContact O-N 3.15Å; L477-G481 WeakPolarHBondContact O-CA 3.37Å; L477-G481 PolarHBondContact O-N 2.87Å; L477-I498 HydrophobicContact CD2-CB 4.33Å; L477-I498 HydrophobicContact CD2-CG2 3.79Å; L477-L499 HydrophobicContact CD2-CD2 3.91Å; L477-L499 HydrophobicContact CD2-CG 4.12Å; L477-I502 HydrophobicContact CD2-CD1 4.44Å; L477-I540 HydrophobicContact CD1-CB 4.42Å; L477-I540 HydrophobicContact CD1-CD1 4.21Å; L477-I540 HydrophobicContact CD1-CG1 3.9Å; L477-I540 HydrophobicContact CD1-CG2 3.84Å; L477-I540 HydrophobicContact CD2-CD1 4.25Å; L477-I540 HydrophobicContact CG-CD1 3.66Å; L477-I540 HydrophobicContact CG-CG1 3.83Å; L477-I540 HydrophobicContact CG-CG2 4.43Å; L477-L544 HydrophobicContact CB-CD1 4.05Å; L477-F547 HydrophobicContact CD1-CE1 3.75Å; L477-F547 HydrophobicContact CD1-CZ 3.56Å; L477-F547 HydrophobicContact CD2-CZ 4.48Å; L477-N558 HydrophobicContact CD1-CB 4.45Å
478F96.3Very high95.6Very high95 Ų9519.6 Ų19.642%0.41711%0.114SC..Hα-helixtrans-68.7-44.3176.8-176.1-106.1000110.7D475 L476 G481 A482 L544D475-F478 HydrophobicContact CB-CB 4.29Å; D475-F478 PolarHBondContact O-N 3Å; D475-F478 WeakPolarHBondContact OD1-CB 3.42Å; D475-F478 PolarHBondContact OD1-N 3.11Å; L476-F478 VanDerWaalsContact C-N 3.34Å; L476-F478 PolarHBondContact O-N 3.41Å; F478-G481 PolarHBondContact O-N 3.07Å; F478-A482 PolarHBondContact O-N 3.1Å; F478-L544 HydrophobicContact CB-CD1 4.46Å; F478-L544 HydrophobicContact CD2-CD2 4.13Å; F478-L544 HydrophobicContact CD2-CG 4.3Å
479H97.1Very high93.8Very high15 Ų1524.8 Ų24.87%0.06915%0.15CC..Hα-helixtrans-62.8-55.8-178.4-59.8-165.2000111.2D475 L476 G481 A482 E483 Y509 L511 Q515D475-H479 PolarHBondContact O-CD2 3.46Å; D475-H479 PolarHBondContact O-N 3.27Å; L476-H479 PolarHBondContact O-N 3.1Å; H479-G481 VanDerWaalsContact C-N 3.3Å; H479-G481 PolarHBondContact O-N 3.35Å; H479-A482 WeakPolarHBondContact O-CB 3.46Å; H479-A482 PolarHBondContact O-N 2.99Å; H479-E483 PolarHBondContact O-N 2.97Å; H479-Y509 HydrophobicContact CB-CE2 4.44Å; H479-Y509 AromaticContact ND1-CE2 3.44Å; H479-Y509 WeakPolarHBondContact ND1-CE2 3.48Å; H479-Y509 AromaticContact ND1-CZ 3.62Å; H479-Y509 PolarHBondContact ND1-OH 3.46Å; H479-L511 HydrophobicContact CB-CD2 3.79Å; H479-Q515 PolarHBondContact CD2-OE1 3.47Å; H479-Q515 PolarHBondContact NE2-OE1 3.42Å
480L96.4Very high92.2Very high1 Ų127.3 Ų27.31%0.00518%0.177CC..Hα-helixtrans-62.1-39.4176.7-82.6174.4000111.7F297 L476 A482 E483 E484 I498 I502 P510 L511F297-L480 HydrophobicContact CB-CD2 4.22Å; F297-L480 HydrophobicContact CD1-CD2 4.16Å; F297-L480 HydrophobicContact CD2-CD2 3.16Å; F297-L480 HydrophobicContact CE1-CD2 4.37Å; F297-L480 HydrophobicContact CE2-CD2 3.45Å; F297-L480 VanDerWaalsContact CE2-CD2 3.45Å; F297-L480 HydrophobicContact CG-CD2 3.57Å; F297-L480 HydrophobicContact CZ-CD2 4.05Å; L476-L480 HydrophobicContact CD1-CD1 3.65Å; L476-L480 HydrophobicContact CD1-CG 3.68Å; L476-L480 HydrophobicContact CD2-CD1 4.34Å; L476-L480 HydrophobicContact CG-CD1 3.86Å; L476-L480 HydrophobicContact CG-CG 4.29Å; L476-L480 WeakPolarHBondContact O-CB 3.15Å; L476-L480 PolarHBondContact O-N 2.65Å; L480-A482 VanDerWaalsContact C-N 3.27Å; L480-A482 PolarHBondContact O-N 3.49Å; L480-E483 PolarHBondContact O-N 3.3Å; L480-E484 WeakPolarHBondContact O-CB 3.35Å; L480-E484 PolarHBondContact O-N 3.08Å; L480-I498 HydrophobicContact CB-CG2 3.65Å; L480-I498 HydrophobicContact CD1-CG2 3.79Å; L480-I498 HydrophobicContact CG-CG2 4.38Å; L480-I502 HydrophobicContact CD1-CD1 4.23Å; L480-I502 HydrophobicContact CD1-CG1 3.76Å; L480-P510 HydrophobicContact CD1-CG 4.15Å; L480-L511 HydrophobicContact CD2-CB 3.74Å; L480-L511 HydrophobicContact CD2-CD1 4.21Å; L480-L511 HydrophobicContact CD2-CG 4.43Å; L480-L511 HydrophobicContact CG-CB 4.26Å
481G95.1Very high90.6Very high3 Ų334.7 Ų34.73%0.03122%0.222CC..Hα-helixtrans-58-42.8176.900000111.6L477 F478 H479 E483 R494L477-G481 WeakPolarHBondContact O-CA 3.37Å; L477-G481 PolarHBondContact O-N 2.87Å; F478-G481 PolarHBondContact O-N 3.07Å; H479-G481 VanDerWaalsContact C-N 3.3Å; H479-G481 PolarHBondContact O-N 3.35Å; G481-E483 PolarHBondContact O-N 3.46Å; G481-R494 PolarHBondContact O-NH2 3.49Å
482A94.9Very high89.6Confident35 Ų3537.2 Ų37.229%0.28924%0.239SC..Hα-helixtrans-61.4-33.5-178.600000112.9K264 F478 H479 L480K264-A482 WeakPolarHBondContact CE-O 3.26Å; K264-A482 PolarHBondContact NZ-O 3.33Å; F478-A482 PolarHBondContact O-N 3.1Å; H479-A482 WeakPolarHBondContact O-CB 3.46Å; H479-A482 PolarHBondContact O-N 2.99Å; L480-A482 VanDerWaalsContact C-N 3.27Å; L480-A482 PolarHBondContact O-N 3.49Å
483E95.9Very high89.1Confident60 Ų6040 Ų4028%0.2825%0.254SS..Hα-helixtrans-104.4-10.9-173-64.5-64.6165.300114.9P298 H479 L480 G481 L511P298-E483 HydrophobicContact CG-CB 4.2Å; H479-E483 PolarHBondContact O-N 2.97Å; L480-E483 PolarHBondContact O-N 3.3Å; G481-E483 PolarHBondContact O-N 3.46Å; E483-L511 HydrophobicContact CB-CD1 4.05Å; E483-L511 HydrophobicContact CG-CD1 4.19Å; E483-L511 HydrophobicContact CG-CD2 4.47Å
484E96.1Very high88.9Confident16 Ų1645.5 Ų45.58%0.07528%0.275CS..  trans-69.5135.4179.9-171.3-121.8-175.800112.3S295 L296 F297 L480 R497S295-E484 PolarHBondContact OG-OE1 3.19Å; L296-E484 WeakPolarHBondContact O-CA 3.48Å; F297-E484 HydrophobicContact CB-CB 4.49Å; L480-E484 WeakPolarHBondContact O-CB 3.35Å; L480-E484 PolarHBondContact O-N 3.08Å; E484-R497 VanDerWaalsContact CD-NH2 3.26Å; E484-R497 IonicContact OE1-CZ 2.88Å; E484-R497 IonicContact OE1-NE 2.65Å; E484-R497 PolarHBondContact OE1-NE 3.26Å; E484-R497 IonicContact OE1-NH2 3.73Å; E484-R497 PolarHBondContact OE1-NH2 3.5Å; E484-R497 IonicContact OE2-CZ 3.62Å; E484-R497 IonicContact OE2-NE 2.62Å; E484-R497 IonicContact OE2-NH2 3.9Å; E484-R497 PolarHBondContact OE2-NH2 2.97Å
485I95.9Very high88.8Confident18 Ų1847.2 Ų47.29%0.09228%0.282CS..EExtended strand (participates in β ladder)trans-113151.8165.864.3168.4000110.1L265 V270 L288 Y294 S295 L296L265-I485 HydrophobicContact CB-CG2 4.32Å; L265-I485 HydrophobicContact CD2-CD1 4.12Å; L265-I485 HydrophobicContact CD2-CG1 4.03Å; L265-I485 HydrophobicContact CD2-CG2 4.46Å; L265-I485 HydrophobicContact CG-CD1 4.19Å; L265-I485 HydrophobicContact CG-CG1 4.43Å; L265-I485 HydrophobicContact CG-CG2 4.23Å; L265-I485 WeakPolarHBondContact O-CG2 3.15Å; V270-I485 HydrophobicContact CG2-CD1 3.65Å; L288-I485 HydrophobicContact CD1-CD1 4.2Å; Y294-I485 HydrophobicContact CE2-CD1 3.97Å; Y294-I485 HydrophobicContact CE2-CG1 4.08Å; S295-I485 CarbonylContact C-O 3.18Å; S295-I485 WeakPolarHBondContact CA-O 3.37Å; L296-I485 HydrophobicContact CB-CD1 4.24Å; L296-I485 HydrophobicContact CB-CG1 3.85Å; L296-I485 PolarHBondContact N-O 3.37Å; L296-I485 PolarHBondContact O-N 3.39Å
486S94.1Very high88.7Confident45 Ų4548.2 Ų48.232%0.31529%0.29SS..EExtended strand (participates in β ladder)trans-153.7149.1178.268.20000113.3Y294 R497Y294-S486 CarbonylContact O-C 3.55Å; Y294-S486 WeakPolarHBondContact O-CA 3.31Å; Y294-S486 WeakPolarHBondContact O-CB 3.21Å; S486-R497 PolarHBondContact OG-NH1 3Å; S486-R497 PolarHBondContact OG-NH2 3.37Å
487S90.4Very high88.7Confident44 Ų4450 Ų5031%0.30830%0.297SS..EExtended strand (participates in β ladder)trans-117.5125.2159.1179.40000108.1K292 E293 Y294K292-S487 PolarHBondContact O-OG 3.15Å; E293-S487 WeakPolarHBondContact CA-O 3.5Å; Y294-S487 PolarHBondContact N-O 3.34Å; Y294-S487 PolarHBondContact O-N 2.91Å
488S80Confident88.8Confident48 Ų4850 Ų5034%0.33630%0.297SS..  trans-143.6134.3176.841.30000109.5G490 S492 R497S488-G490 PolarHBondContact O-N 2.93Å; S488-S492 WeakPolarHBondContact OG-CB 3.2Å; S488-R497 PolarHBondContact OG-NH1 3.46Å
489S59.6Low88.9Confident111 Ų11145.5 Ų45.578%0.77628%0.277SS*.SBendtrans-77.10.9-174.7610000114.6E293E293-S489 WeakPolarHBondContact OE1-CB 3.35Å; E293-S489 PolarHBondContact OE1-N 3Å; E293-S489 PolarHBondContact OE1-OG 3.39Å
490G65.4Low88.9Confident54 Ų5447.9 Ų47.956%0.55729%0.287SS*.SBendtrans-152.4-164-17700000114.9S488 S492S488-G490 PolarHBondContact O-N 2.93Å; G490-S492 VanDerWaalsContact C-N 3.34Å; G490-S492 PolarHBondContact O-N 3.34Å
491T63.6Low89Confident155 Ų15548.4 Ų48.495%0.95129%0.29SS*.  trans-71.683.6177.952.80000110.8
492S77.8Confident89.2Confident52 Ų5248.4 Ų48.436%0.36429%0.289SS..  trans-83.6126.4176.2-179.60000111S488 G490 R494 R497S488-S492 WeakPolarHBondContact OG-CB 3.2Å; G490-S492 VanDerWaalsContact C-N 3.34Å; G490-S492 PolarHBondContact O-N 3.34Å; S492-R494 PolarHBondContact O-N 3.23Å; S492-R497 WeakPolarHBondContact OG-CD 3.43Å; S492-R497 PolarHBondContact OG-NH1 3.36Å
493D89.6Confident89.3Confident61 Ų6146.8 Ų46.833%0.32628%0.275SS..  trans-77.1109.4172.2176.339.5000110.9F495 S496 R497 K549D493-F495 VanDerWaalsContact C-N 3.28Å; D493-F495 PolarHBondContact O-N 3.24Å; D493-F495 PolarHBondContact OD1-N 2.91Å; D493-S496 PolarHBondContact O-N 3.15Å; D493-S496 VanDerWaalsContact OD2-CB 3.28Å; D493-S496 WeakPolarHBondContact OD2-CB 3.49Å; D493-S496 PolarHBondContact OD2-N 3.39Å; D493-S496 PolarHBondContact OD2-OG 2.9Å; D493-R497 PolarHBondContact O-N 3.35Å; D493-R497 VanDerWaalsContact O-N 3.13Å; D493-K549 VanDerWaalsContact CG-NZ 3.35Å; D493-K549 IonicContact OD1-NZ 3.32Å; D493-K549 WeakPolarHBondContact OD2-CD 3.18Å; D493-K549 WeakPolarHBondContact OD2-CE 3.21Å; D493-K549 IonicContact OD2-NZ 3.62Å; D493-K549 PolarHBondContact OD2-NZ 3.45Å
494R92.7Very high89.4Confident117 Ų11744 Ų4444%0.44226%0.263SS..Hα-helixtrans-54.8-41.7-178.7-178.3178.6177.8-162.51.8112.3G481 S492 R497 I498G481-R494 PolarHBondContact O-NH2 3.49Å; S492-R494 PolarHBondContact O-N 3.23Å; R494-R497 PolarHBondContact O-N 3.21Å; R494-I498 HydrophobicContact CG-CD1 3.88Å; R494-I498 WeakPolarHBondContact O-CG1 3.49Å; R494-I498 PolarHBondContact O-N 3.03Å
495F94.6Very high89.6Confident44 Ų4443.8 Ų43.819%0.19326%0.261CS..Hα-helixtrans-69.6-43.5-178.1-63.4-22.4000112D493 R497 I498 L499 L544 F547 K549D493-F495 VanDerWaalsContact C-N 3.28Å; D493-F495 PolarHBondContact O-N 3.24Å; D493-F495 PolarHBondContact OD1-N 2.91Å; F495-R497 VanDerWaalsContact C-N 3.26Å; F495-R497 PolarHBondContact O-N 3.35Å; F495-I498 PolarHBondContact O-N 3.28Å; F495-L499 WeakPolarHBondContact O-CB 3.28Å; F495-L499 WeakPolarHBondContact O-CD1 3.38Å; F495-L499 VanDerWaalsContact O-CG 3.23Å; F495-L499 WeakPolarHBondContact O-CG 3.45Å; F495-L499 PolarHBondContact O-N 3.18Å; F495-L544 HydrophobicContact CE1-CD1 3.74Å; F495-L544 HydrophobicContact CZ-CB 4.29Å; F495-L544 HydrophobicContact CZ-CD1 4.07Å; F495-F547 HydrophobicContact CB-CE1 4.3Å; F495-F547 HydrophobicContact CB-CZ 4.44Å; F495-F547 AromaticContact CD2-CD1 3.68Å; F495-F547 HydrophobicContact CD2-CD1 3.68Å; F495-F547 AromaticContact CD2-CE1 3.77Å; F495-F547 HydrophobicContact CD2-CE1 3.77Å; F495-F547 HydrophobicContact CD2-CG 4.5Å; F495-F547 HydrophobicContact CE2-CD1 4.07Å; F495-F547 HydrophobicContact CE2-CE1 4.28Å; F495-F547 HydrophobicContact CG-CD1 4.43Å; F495-F547 HydrophobicContact CG-CE1 4.08Å; F495-K549 HydrophobicContact CB-CD 4.2Å
496S95.8Very high89.6Confident37 Ų3744.2 Ų44.226%0.25926%0.262SS..Hα-helixtrans-57.8-36.9172.5-77.80000112.8D493 K500D493-S496 PolarHBondContact O-N 3.15Å; D493-S496 VanDerWaalsContact OD2-CB 3.28Å; D493-S496 WeakPolarHBondContact OD2-CB 3.49Å; D493-S496 PolarHBondContact OD2-N 3.39Å; D493-S496 PolarHBondContact OD2-OG 2.9Å; S496-K500 VanDerWaalsContact O-CB 3.3Å; S496-K500 WeakPolarHBondContact O-CB 3.42Å; S496-K500 PolarHBondContact O-N 2.97Å
497R95.6Very high89.8Confident38 Ų3842.2 Ų42.214%0.14325%0.248CC..Hα-helixtrans-66.5-46.7174.7-68.7-165-52.5-148.68.8113E484 S486 S488 S492 D493 R494 F495 L499 K500 H501E484-R497 VanDerWaalsContact CD-NH2 3.26Å; E484-R497 IonicContact OE1-CZ 2.88Å; E484-R497 IonicContact OE1-NE 2.65Å; E484-R497 PolarHBondContact OE1-NE 3.26Å; E484-R497 IonicContact OE1-NH2 3.73Å; E484-R497 PolarHBondContact OE1-NH2 3.5Å; E484-R497 IonicContact OE2-CZ 3.62Å; E484-R497 IonicContact OE2-NE 2.62Å; E484-R497 IonicContact OE2-NH2 3.9Å; E484-R497 PolarHBondContact OE2-NH2 2.97Å; S486-R497 PolarHBondContact OG-NH1 3Å; S486-R497 PolarHBondContact OG-NH2 3.37Å; S488-R497 PolarHBondContact OG-NH1 3.46Å; S492-R497 WeakPolarHBondContact OG-CD 3.43Å; S492-R497 PolarHBondContact OG-NH1 3.36Å; D493-R497 PolarHBondContact O-N 3.35Å; D493-R497 VanDerWaalsContact O-N 3.13Å; R494-R497 PolarHBondContact O-N 3.21Å; F495-R497 VanDerWaalsContact C-N 3.26Å; F495-R497 PolarHBondContact O-N 3.35Å; R497-L499 VanDerWaalsContact C-N 3.33Å; R497-L499 PolarHBondContact O-N 3Å; R497-K500 WeakPolarHBondContact O-CB 3.23Å; R497-K500 PolarHBondContact O-N 3.09Å; R497-H501 PolarHBondContact O-CD2 3.49Å; R497-H501 PolarHBondContact O-N 2.72Å
498I97.6Very high90.1Very high1 Ų140.2 Ų40.21%0.00523%0.234CC..Hα-helixtrans-62.2-44178.6-64.4162.5000110.2L477 L480 R494 F495 K500 H501 I502L477-I498 HydrophobicContact CD2-CB 4.33Å; L477-I498 HydrophobicContact CD2-CG2 3.79Å; L480-I498 HydrophobicContact CB-CG2 3.65Å; L480-I498 HydrophobicContact CD1-CG2 3.79Å; L480-I498 HydrophobicContact CG-CG2 4.38Å; R494-I498 HydrophobicContact CG-CD1 3.88Å; R494-I498 WeakPolarHBondContact O-CG1 3.49Å; R494-I498 PolarHBondContact O-N 3.03Å; F495-I498 PolarHBondContact O-N 3.28Å; I498-K500 VanDerWaalsContact C-N 3.3Å; I498-K500 PolarHBondContact O-N 3.38Å; I498-H501 WeakPolarHBondContact O-CB 3.2Å; I498-H501 PolarHBondContact O-N 3.29Å; I498-H501 VanDerWaalsContact O-N 3.12Å; I498-I502 HydrophobicContact CG2-CD1 4.27Å; I498-I502 WeakPolarHBondContact O-CG1 3.39Å; I498-I502 PolarHBondContact O-N 3.16Å
499L98.3Very high91Very high0 Ų038.1 Ų38.10%022%0.218CC..Hα-helixtrans-61.5-39.6175.7-69.2165.5000112L477 F495 R497 H501 I502 L503 L538 I540 F547 K549 V551 C556L477-L499 HydrophobicContact CD2-CD2 3.91Å; L477-L499 HydrophobicContact CD2-CG 4.12Å; F495-L499 WeakPolarHBondContact O-CB 3.28Å; F495-L499 WeakPolarHBondContact O-CD1 3.38Å; F495-L499 VanDerWaalsContact O-CG 3.23Å; F495-L499 WeakPolarHBondContact O-CG 3.45Å; F495-L499 PolarHBondContact O-N 3.18Å; R497-L499 VanDerWaalsContact C-N 3.33Å; R497-L499 PolarHBondContact O-N 3Å; L499-H501 VanDerWaalsContact C-N 3.31Å; L499-H501 PolarHBondContact O-N 2.96Å; L499-I502 HydrophobicContact CD2-CD1 4.39Å; L499-I502 PolarHBondContact O-N 3.4Å; L499-L503 WeakPolarHBondContact O-CG 3.44Å; L499-L503 PolarHBondContact O-N 3.4Å; L499-L503 VanDerWaalsContact O-N 3.09Å; L499-L538 HydrophobicContact CD2-CD2 4.26Å; L499-I540 HydrophobicContact CD2-CG2 4.06Å; L499-F547 HydrophobicContact CD1-CE2 3.73Å; L499-F547 HydrophobicContact CD1-CZ 3.97Å; L499-K549 HydrophobicContact CD1-CB 4.41Å; L499-K549 HydrophobicContact CD1-CD 4.32Å; L499-V551 HydrophobicContact CB-CB 4.29Å; L499-V551 HydrophobicContact CB-CG1 4.17Å; L499-V551 HydrophobicContact CB-CG2 3.98Å; L499-V551 HydrophobicContact CD1-CG2 3.88Å; L499-C556 HydrophobicContact CD1-CB 3.65Å; L499-C556 HydrophobicContact CD2-CB 3.75Å; L499-C556 HydrophobicContact CG-CB 4.25Å
500K97.9Very high92.9Very high65 Ų6532.9 Ų32.928%0.28318%0.182SC..Hα-helixtrans-59.6-42.5173.4-179.5-178.6-178179.40111.3E321 S496 R497 I498 I502 L503 T504 V551 L552E321-K500 WeakPolarHBondContact OE1-CE 3.33Å; E321-K500 IonicContact OE1-NZ 2.62Å; E321-K500 PolarHBondContact OE1-NZ 2.7Å; S496-K500 VanDerWaalsContact O-CB 3.3Å; S496-K500 WeakPolarHBondContact O-CB 3.42Å; S496-K500 PolarHBondContact O-N 2.97Å; R497-K500 WeakPolarHBondContact O-CB 3.23Å; R497-K500 PolarHBondContact O-N 3.09Å; I498-K500 VanDerWaalsContact C-N 3.3Å; I498-K500 PolarHBondContact O-N 3.38Å; K500-I502 PolarHBondContact O-N 3.36Å; K500-L503 PolarHBondContact O-N 3.45Å; K500-T504 HydrophobicContact CG-CG2 4.3Å; K500-T504 WeakPolarHBondContact O-CB 3.4Å; K500-T504 VanDerWaalsContact O-CG2 3.27Å; K500-T504 WeakPolarHBondContact O-CG2 3.38Å; K500-T504 PolarHBondContact O-N 3.36Å; K500-T504 PolarHBondContact O-OG1 3.04Å; K500-V551 HydrophobicContact CB-CG1 4.09Å; K500-L552 HydrophobicContact CG-CD1 4.05Å
501H98.3Very high94.4Very high13 Ų1330.6 Ų30.66%0.0616%0.157CC..Hα-helixtrans-59.7-45.9174.7-71-39.1000112S295 F297 R497 I498 L499 L503 T504 Q505S295-H501 PolarHBondContact O-CE1 2.6Å; S295-H501 VanDerWaalsContact O-CE1 3.32Å; S295-H501 PolarHBondContact OG-CE1 3.08Å; S295-H501 PolarHBondContact OG-NE2 3.41Å; F297-H501 HydrophobicContact CD1-CB 4.21Å; F297-H501 AromaticContact CD1-CD2 3.65Å; F297-H501 AromaticContact CD1-CG 3.81Å; F297-H501 HydrophobicContact CE1-CB 3.59Å; F297-H501 AromaticContact CE1-CD2 3.89Å; F297-H501 AromaticContact CE1-CG 3.55Å; F297-H501 AromaticContact CE1-ND1 3.94Å; F297-H501 HydrophobicContact CZ-CB 4.38Å; R497-H501 PolarHBondContact O-CD2 3.49Å; R497-H501 PolarHBondContact O-N 2.72Å; I498-H501 WeakPolarHBondContact O-CB 3.2Å; I498-H501 PolarHBondContact O-N 3.29Å; I498-H501 VanDerWaalsContact O-N 3.12Å; L499-H501 VanDerWaalsContact C-N 3.31Å; L499-H501 PolarHBondContact O-N 2.96Å; H501-L503 PolarHBondContact O-N 2.73Å; H501-T504 PolarHBondContact O-N 2.71Å; H501-T504 PolarHBondContact O-OG1 3.22Å; H501-Q505 WeakPolarHBondContact O-CB 3.47Å; H501-Q505 WeakPolarHBondContact O-CG 3.31Å; H501-Q505 PolarHBondContact O-N 2.78Å
502I98.3Very high96.1Very high2 Ų226.1 Ų26.11%0.0112%0.123CC..Hα-helixtrans-57.8-49.8179.4-62.3166.3000110.8L476 L477 L480 I498 L499 K500 T504 R506 L538 I540L476-I502 HydrophobicContact CD2-CD1 3.53Å; L476-I502 HydrophobicContact CD2-CG1 3.63Å; L476-I502 HydrophobicContact CD2-CG2 4.23Å; L476-I502 HydrophobicContact CG-CD1 4.02Å; L476-I502 HydrophobicContact CG-CG1 4.34Å; L477-I502 HydrophobicContact CD2-CD1 4.44Å; L480-I502 HydrophobicContact CD1-CD1 4.23Å; L480-I502 HydrophobicContact CD1-CG1 3.76Å; I498-I502 HydrophobicContact CG2-CD1 4.27Å; I498-I502 WeakPolarHBondContact O-CG1 3.39Å; I498-I502 PolarHBondContact O-N 3.16Å; L499-I502 HydrophobicContact CD2-CD1 4.39Å; L499-I502 PolarHBondContact O-N 3.4Å; K500-I502 PolarHBondContact O-N 3.36Å; I502-T504 VanDerWaalsContact C-N 3.34Å; I502-T504 PolarHBondContact O-N 3.26Å; I502-R506 PolarHBondContact O-N 2.97Å; I502-L538 HydrophobicContact CG2-CD2 4.25Å; I502-I540 HydrophobicContact CD1-CD1 3.6Å
503L98.5Very high97Very high1 Ų127.8 Ų27.81%0.00513%0.133CC..Hα-helixtrans-66.9-34.2-178.2-62.1176.6000113P324 L499 K500 H501 T534 P535 L538 V551 L552 C554P324-L503 WeakPolarHBondContact CA-O 3.26Å; P324-L503 HydrophobicContact CB-CB 4.46Å; L499-L503 WeakPolarHBondContact O-CG 3.44Å; L499-L503 PolarHBondContact O-N 3.4Å; L499-L503 VanDerWaalsContact O-N 3.09Å; K500-L503 PolarHBondContact O-N 3.45Å; H501-L503 PolarHBondContact O-N 2.73Å; L503-T534 HydrophobicContact CD2-CG2 4.12Å; L503-P535 HydrophobicContact CD2-CG 4.23Å; L503-L538 HydrophobicContact CD2-CD2 4.34Å; L503-V551 HydrophobicContact CD1-CB 4.39Å; L503-V551 HydrophobicContact CD1-CG1 4.25Å; L503-V551 WeakPolarHBondContact CD1-O 3.16Å; L503-L552 HydrophobicContact CB-CD1 4.46Å; L503-L552 HydrophobicContact CD1-CB 4.29Å; L503-L552 HydrophobicContact CD1-CD1 4.48Å; L503-C554 HydrophobicContact CD1-CB 3.81Å; L503-C554 HydrophobicContact CD2-CB 4.32Å
504T98.4Very high97.4Very high3 Ų326.4 Ų26.42%0.01813%0.127CC..Hα-helixtrans-88.3-20.3-176.4560000113.9G322 P324 K500 H501 I502 R506 L552G322-T504 VanDerWaalsContact C-CG2 3.45Å; G322-T504 VanDerWaalsContact O-CG2 3.26Å; G322-T504 WeakPolarHBondContact O-CG2 3.36Å; P324-T504 HydrophobicContact CB-CG2 4.37Å; K500-T504 HydrophobicContact CG-CG2 4.3Å; K500-T504 WeakPolarHBondContact O-CB 3.4Å; K500-T504 VanDerWaalsContact O-CG2 3.27Å; K500-T504 WeakPolarHBondContact O-CG2 3.38Å; K500-T504 PolarHBondContact O-N 3.36Å; K500-T504 PolarHBondContact O-OG1 3.04Å; H501-T504 PolarHBondContact O-N 2.71Å; H501-T504 PolarHBondContact O-OG1 3.22Å; I502-T504 VanDerWaalsContact C-N 3.34Å; I502-T504 PolarHBondContact O-N 3.26Å; T504-R506 VanDerWaalsContact C-N 3.34Å; T504-L552 HydrophobicContact CG2-CD1 3.93Å
505Q98.4Very high97.5Very high10 Ų1023.6 Ų23.65%0.04712%0.119CC..Hα-helixtrans-90.3-3.7173.5-64.5-72.2-62.700112.7F297 V301 H501 S507 P510F297-Q505 HydrophobicContact CE1-CG 4.37Å; F297-Q505 HydrophobicContact CZ-CG 4Å; V301-Q505 PolarHBondContact O-NE2 2.85Å; H501-Q505 WeakPolarHBondContact O-CB 3.47Å; H501-Q505 WeakPolarHBondContact O-CG 3.31Å; H501-Q505 PolarHBondContact O-N 2.78Å; Q505-S507 PolarHBondContact O-N 3.12Å; Q505-P510 HydrophobicContact CB-CB 3.6Å; Q505-P510 HydrophobicContact CB-CG 4.14Å; Q505-P510 HydrophobicContact CG-CB 4.16Å
506R97.6Very high97.3Very high28 Ų2831.1 Ų31.111%0.10616%0.155CC..THydrogen-bonded Turntrans58.925.4166.7-51.3176.4178.7-161.42.6114.3E230 V323 L325 I502 T504 Q530 L531E230-R506 IonicContact OE1-CZ 3.11Å; E230-R506 IonicContact OE1-NH1 2.64Å; E230-R506 PolarHBondContact OE1-NH1 2.81Å; E230-R506 IonicContact OE2-CZ 4Å; E230-R506 IonicContact OE2-NH1 2.74Å; E230-R506 PolarHBondContact OE2-NH1 3.02Å; E230-R506 IonicContact OE2-NH2 3.9Å; E230-R506 PolarHBondContact OE2-NH2 3.36Å; V323-R506 PolarHBondContact O-NE 3.37Å; L325-R506 HydrophobicContact CD1-CB 4.27Å; L325-R506 HydrophobicContact CD1-CG 4.23Å; L325-R506 HydrophobicContact CG-CG 4.01Å; I502-R506 PolarHBondContact O-N 2.97Å; T504-R506 VanDerWaalsContact C-N 3.34Å; R506-Q530 PolarHBondContact O-OE1 2.88Å; R506-L531 PolarHBondContact O-N 3.22Å
507S97.1Very high97Very high2 Ų233.8 Ų33.81%0.01417%0.166CC..BIsolated β-bridgetrans-136145.7179.6176.60000110.3Q505 Y509 F525 A529Q505-S507 PolarHBondContact O-N 3.12Å; S507-Y509 PolarHBondContact O-N 3.45Å; S507-Y509 PolarHBondContact OG-N 2.93Å; S507-Y509 VanDerWaalsContact OG-N 3.12Å; S507-F525 WeakPolarHBondContact OG-CZ 3.38Å; S507-A529 WeakPolarHBondContact CA-O 3.33Å; S507-A529 PolarHBondContact OG-O 3.43Å
508Y98Very high96.9Very high3 Ų332.5 Ų32.51%0.01216%0.161CC..SBendtrans-71.1-8.2171.1-75.1-79.6000113.3Y435 P459 C460 S461 G470 T472 L476 A529 L531 L538Y435-Y508 VanDerWaalsContact OH-CB 3.26Å; Y435-Y508 WeakPolarHBondContact OH-CB 3.42Å; P459-Y508 HydrophobicContact CB-CD1 3.7Å; P459-Y508 HydrophobicContact CB-CD2 3.78Å; P459-Y508 HydrophobicContact CB-CE1 4.18Å; P459-Y508 HydrophobicContact CB-CE2 4.24Å; P459-Y508 HydrophobicContact CB-CG 3.48Å; P459-Y508 VanDerWaalsContact CB-CG 3.48Å; P459-Y508 HydrophobicContact CG-CD1 4.34Å; P459-Y508 HydrophobicContact CG-CD2 3.55Å; P459-Y508 HydrophobicContact CG-CE2 4.25Å; P459-Y508 HydrophobicContact CG-CG 3.61Å; C460-Y508 PolarHBondContact O-OH 2.97Å; S461-Y508 PolarHBondContact OG-OH 3.31Å; G470-Y508 WeakPolarHBondContact CA-OH 3.39Å; T472-Y508 HydrophobicContact CG2-CD1 4.42Å; L476-Y508 VanDerWaalsContact CD2-O 3.25Å; L476-Y508 WeakPolarHBondContact CD2-O 3.45Å; Y508-A529 PolarHBondContact N-O 3.25Å; Y508-L531 HydrophobicContact CD1-CD2 4.13Å; Y508-L531 HydrophobicContact CD2-CD2 4Å; Y508-L531 HydrophobicContact CD2-CG 4.48Å; Y508-L531 HydrophobicContact CE1-CD2 3.69Å; Y508-L531 HydrophobicContact CE2-CD2 3.56Å; Y508-L531 HydrophobicContact CE2-CG 4.37Å; Y508-L531 HydrophobicContact CG-CD2 4.27Å; Y508-L538 HydrophobicContact CE1-CD1 4.37Å
509Y98.3Very high96.9Very high3 Ų334.9 Ų34.91%0.01218%0.181CC..  trans-153.682.6171.4-162.7-86.5000111.5T474 L476 H479 S507 L511 P514 Q515 M518 I520 F525T474-Y509 HydrophobicContact CG2-CD2 3.96Å; T474-Y509 HydrophobicContact CG2-CE2 3.92Å; L476-Y509 HydrophobicContact CB-CD2 4.31Å; L476-Y509 HydrophobicContact CD1-CD2 3.5Å; L476-Y509 VanDerWaalsContact CD1-CD2 3.5Å; L476-Y509 HydrophobicContact CD1-CE2 3.66Å; L476-Y509 HydrophobicContact CD1-CG 4.11Å; L476-Y509 HydrophobicContact CG-CD2 4.4Å; H479-Y509 HydrophobicContact CB-CE2 4.44Å; H479-Y509 AromaticContact ND1-CE2 3.44Å; H479-Y509 WeakPolarHBondContact ND1-CE2 3.48Å; H479-Y509 AromaticContact ND1-CZ 3.62Å; H479-Y509 PolarHBondContact ND1-OH 3.46Å; S507-Y509 PolarHBondContact O-N 3.45Å; S507-Y509 PolarHBondContact OG-N 2.93Å; S507-Y509 VanDerWaalsContact OG-N 3.12Å; Y509-L511 HydrophobicContact CD1-CB 4.44Å; Y509-L511 WeakPolarHBondContact CD1-O 3.47Å; Y509-L511 HydrophobicContact CE1-CB 3.83Å; Y509-L511 HydrophobicContact CE1-CG 4.48Å; Y509-L511 WeakPolarHBondContact CE1-O 3.48Å; Y509-P514 HydrophobicContact CE1-CB 3.59Å; Y509-Q515 PolarHBondContact OH-N 3.32Å; Y509-Q515 VanDerWaalsContact OH-N 3.15Å; Y509-M518 HydrophobicContact CD1-CE 4.18Å; Y509-M518 HydrophobicContact CD1-SD 4.34Å; Y509-M518 HydrophobicContact CD2-CE 3.43Å; Y509-M518 VanDerWaalsContact CD2-CE 3.43Å; Y509-M518 HydrophobicContact CD2-SD 3.61Å; Y509-M518 HydrophobicContact CE1-CE 4.34Å; Y509-M518 HydrophobicContact CE1-SD 3.91Å; Y509-M518 HydrophobicContact CE2-CE 3.65Å; Y509-M518 HydrophobicContact CE2-SD 3.09Å; Y509-M518 WeakPolarHBondContact CE2-SD 3.11Å; Y509-M518 HydrophobicContact CG-CE 3.73Å; Y509-M518 HydrophobicContact CG-SD 4.21Å; Y509-I520 HydrophobicContact CD1-CD1 3.62Å; Y509-I520 HydrophobicContact CE1-CD1 3.92Å; Y509-I520 HydrophobicContact CG-CD1 4.3Å; Y509-F525 VanDerWaalsContact O-CZ 3.31Å; Y509-F525 WeakPolarHBondContact O-CZ 3.49Å
510P98.2Very high96.8Very high1 Ų135.4 Ų35.41%0.00618%0.184CC..  trans-82.1-15.7-174.732-36.5000114.7K223 F297 L480 Q505 Y512K223-P510 PolarHBondContact NZ-O 3.43Å; F297-P510 HydrophobicContact CE2-CB 4.17Å; F297-P510 HydrophobicContact CE2-CG 4.26Å; F297-P510 HydrophobicContact CZ-CB 4.01Å; F297-P510 HydrophobicContact CZ-CG 4.05Å; L480-P510 HydrophobicContact CD1-CG 4.15Å; Q505-P510 HydrophobicContact CB-CB 3.6Å; Q505-P510 HydrophobicContact CB-CG 4.14Å; Q505-P510 HydrophobicContact CG-CB 4.16Å; P510-Y512 PolarHBondContact O-N 2.97Å
511L98.4Very high96.8Very high7 Ų732.5 Ų32.54%0.03717%0.172CC..  trans-62.7124.1179.3178.562.9000110.1F297 P298 H479 L480 E483 Y509F297-L511 HydrophobicContact CD2-CD1 4.18Å; P298-L511 HydrophobicContact CB-CD1 4.16Å; P298-L511 HydrophobicContact CG-CD1 4.39Å; P298-L511 WeakPolarHBondContact O-CD1 3.29Å; H479-L511 HydrophobicContact CB-CD2 3.79Å; L480-L511 HydrophobicContact CD2-CB 3.74Å; L480-L511 HydrophobicContact CD2-CD1 4.21Å; L480-L511 HydrophobicContact CD2-CG 4.43Å; L480-L511 HydrophobicContact CG-CB 4.26Å; E483-L511 HydrophobicContact CB-CD1 4.05Å; E483-L511 HydrophobicContact CG-CD1 4.19Å; E483-L511 HydrophobicContact CG-CD2 4.47Å; Y509-L511 HydrophobicContact CD1-CB 4.44Å; Y509-L511 WeakPolarHBondContact CD1-O 3.47Å; Y509-L511 HydrophobicContact CE1-CB 3.83Å; Y509-L511 HydrophobicContact CE1-CG 4.48Å; Y509-L511 WeakPolarHBondContact CE1-O 3.48Å
512Y97.9Very high96.7Very high60 Ų6033 Ų3324%0.23517%0.173CC..SBendtrans-142.9129.5178.2176.4-95.8000110.8L220 P298 G299 P510 Y522L220-Y512 HydrophobicContact CD1-CE1 3.89Å; L220-Y512 HydrophobicContact CD1-CE2 3.77Å; L220-Y512 WeakPolarHBondContact CD1-OH 3.29Å; L220-Y512 HydrophobicContact CD2-CD1 4.19Å; L220-Y512 HydrophobicContact CD2-CD2 3.79Å; L220-Y512 HydrophobicContact CD2-CE1 4.15Å; L220-Y512 HydrophobicContact CD2-CE2 3.75Å; L220-Y512 HydrophobicContact CD2-CG 4.02Å; L220-Y512 HydrophobicContact CG-CE2 4.38Å; P298-Y512 CarbonylContact C-O 3.49Å; P298-Y512 VanDerWaalsContact CB-O 3.26Å; P298-Y512 WeakPolarHBondContact CB-O 3.42Å; P298-Y512 PolarHBondContact O-N 2.96Å; G299-Y512 WeakPolarHBondContact CA-O 3.22Å; G299-Y512 PolarHBondContact N-O 2.83Å; P510-Y512 PolarHBondContact O-N 2.97Å; Y512-Y522 AromaticContact CD2-CE1 3.95Å; Y512-Y522 HydrophobicContact CD2-CE1 3.95Å; Y512-Y522 AromaticContact CD2-CZ 3.84Å; Y512-Y522 WeakPolarHBondContact CD2-OH 3.22Å; Y512-Y522 HydrophobicContact CE2-CE1 4.1Å; Y512-Y522 AromaticContact CE2-CZ 3.75Å; Y512-Y522 VanDerWaalsContact CE2-OH 3.3Å; Y512-Y522 WeakPolarHBondContact CE2-OH 3.28Å
513P97.6Very high96.5Very high88 Ų8837.1 Ų37.157%0.57119%0.192SC*.SBendcis-59.4153.9-7.8-24.335.9000113.7
514P97.1Very high96.4Very high32 Ų3237.8 Ų37.821%0.20820%0.197CC..PPolyproline II helixtrans-68.1167.8176.930.2-36.2000111.6Y509 M518 I520 Y522Y509-P514 HydrophobicContact CE1-CB 3.59Å; P514-M518 HydrophobicContact CB-CB 4.31Å; P514-M518 HydrophobicContact CB-CG 4.41Å; P514-I520 HydrophobicContact CB-CD1 3.71Å; P514-I520 HydrophobicContact CB-CG1 4.28Å; P514-I520 HydrophobicContact CG-CD1 4.06Å; P514-I520 HydrophobicContact CG-CG1 4.33Å; P514-Y522 VanDerWaalsContact CD-OH 3.22Å; P514-Y522 WeakPolarHBondContact CD-OH 3.49Å
515Q95.6Very high96.2Very high57 Ų5738.2 Ų38.227%0.26620%0.198SC..PPolyproline II helixtrans-58.7147.7173.4-172.9172-56.800109.9H479 Y509 D517 M518H479-Q515 PolarHBondContact CD2-OE1 3.47Å; H479-Q515 PolarHBondContact NE2-OE1 3.42Å; Y509-Q515 PolarHBondContact OH-N 3.32Å; Y509-Q515 VanDerWaalsContact OH-N 3.15Å; Q515-D517 WeakPolarHBondContact CG-OD1 3.28Å; Q515-D517 PolarHBondContact NE2-OD1 3.17Å; Q515-D517 PolarHBondContact O-N 3.4Å; Q515-D517 VanDerWaalsContact O-N 3.13Å; Q515-M518 WeakPolarHBondContact O-CB 3.47Å; Q515-M518 PolarHBondContact O-N 3.3Å
516E90.3Very high96.1Very high203 Ų20341.8 Ų41.895%0.94921%0.212SC*.THydrogen-bonded Turntrans-55.2-34.8-171-169.4175.7-173.900114.2M518E516-M518 VanDerWaalsContact C-N 3.31Å; E516-M518 PolarHBondContact O-N 3.09Å
517D89.3Confident95.8Very high93 Ų9342.7 Ų42.750%0.49722%0.221SC..THydrogen-bonded Turntrans-87.810.5177.768.1-27.8000114.3K385 Q515K385-D517 IonicContact NZ-OD2 3.08Å; K385-D517 PolarHBondContact NZ-OD2 3.39Å; Q515-D517 WeakPolarHBondContact CG-OD1 3.28Å; Q515-D517 PolarHBondContact NE2-OD1 3.17Å; Q515-D517 PolarHBondContact O-N 3.4Å; Q515-D517 VanDerWaalsContact O-N 3.13Å
518M94.6Very high95.8Very high10 Ų1045.9 Ų45.95%0.04923%0.233CC..  trans-113.5101.8-178.9-175.6169.2-18000112.5L426 Y435 T474 Y509 P514 Q515 E516 I520L426-M518 HydrophobicContact CD1-CE 4.48Å; L426-M518 HydrophobicContact CD1-CG 4.04Å; Y435-M518 HydrophobicContact CD1-CE 3.7Å; Y435-M518 HydrophobicContact CD2-CE 3.94Å; Y435-M518 HydrophobicContact CE1-CE 4.08Å; Y435-M518 HydrophobicContact CE2-CE 4.32Å; Y435-M518 HydrophobicContact CG-CE 3.61Å; T474-M518 HydrophobicContact CG2-CE 3.69Å; T474-M518 HydrophobicContact CG2-SD 3.65Å; Y509-M518 HydrophobicContact CD1-CE 4.18Å; Y509-M518 HydrophobicContact CD1-SD 4.34Å; Y509-M518 HydrophobicContact CD2-CE 3.43Å; Y509-M518 VanDerWaalsContact CD2-CE 3.43Å; Y509-M518 HydrophobicContact CD2-SD 3.61Å; Y509-M518 HydrophobicContact CE1-CE 4.34Å; Y509-M518 HydrophobicContact CE1-SD 3.91Å; Y509-M518 HydrophobicContact CE2-CE 3.65Å; Y509-M518 HydrophobicContact CE2-SD 3.09Å; Y509-M518 WeakPolarHBondContact CE2-SD 3.11Å; Y509-M518 HydrophobicContact CG-CE 3.73Å; Y509-M518 HydrophobicContact CG-SD 4.21Å; P514-M518 HydrophobicContact CB-CB 4.31Å; P514-M518 HydrophobicContact CB-CG 4.41Å; Q515-M518 WeakPolarHBondContact O-CB 3.47Å; Q515-M518 PolarHBondContact O-N 3.3Å; E516-M518 VanDerWaalsContact C-N 3.31Å; E516-M518 PolarHBondContact O-N 3.09Å; M518-I520 HydrophobicContact CE-CD1 3.87Å; M518-I520 HydrophobicContact CE-CG1 4.01Å; M518-I520 HydrophobicContact CG-CD1 4.44Å; M518-I520 HydrophobicContact CG-CG1 4.1Å; M518-I520 HydrophobicContact SD-CD1 4.42Å
519A96.8Very high95.7Very high51 Ų5145.8 Ų45.842%0.42123%0.232SC..  trans-79.1126.6172.400000111.3Y435Y435-A519 WeakPolarHBondContact CB-O 3.49Å; Y435-A519 PolarHBondContact N-O 2.77Å
520I97.3Very high95.5Very high11 Ų1148.7 Ų48.76%0.05625%0.246CC..BIsolated β-bridgetrans-122132.7177.1-58.6-175.7000109.8Q211 Y435 Y509 P514 M518 Y522 F525Q211-I520 PolarHBondContact NE2-O 2.55Å; Y435-I520 HydrophobicContact CD1-CD1 4.3Å; Y435-I520 HydrophobicContact CD1-CG1 4.09Å; Y435-I520 HydrophobicContact CD1-CG2 4.33Å; Y435-I520 CarbonylContact O-C 3.52Å; Y435-I520 WeakPolarHBondContact O-CA 3.2Å; Y509-I520 HydrophobicContact CD1-CD1 3.62Å; Y509-I520 HydrophobicContact CE1-CD1 3.92Å; Y509-I520 HydrophobicContact CG-CD1 4.3Å; P514-I520 HydrophobicContact CB-CD1 3.71Å; P514-I520 HydrophobicContact CB-CG1 4.28Å; P514-I520 HydrophobicContact CG-CD1 4.06Å; P514-I520 HydrophobicContact CG-CG1 4.33Å; M518-I520 HydrophobicContact CE-CD1 3.87Å; M518-I520 HydrophobicContact CE-CG1 4.01Å; M518-I520 HydrophobicContact CG-CD1 4.44Å; M518-I520 HydrophobicContact CG-CG1 4.1Å; M518-I520 HydrophobicContact SD-CD1 4.42Å; I520-Y522 HydrophobicContact CB-CE2 4.38Å; I520-Y522 HydrophobicContact CG2-CD1 4.27Å; I520-Y522 HydrophobicContact CG2-CD2 4.48Å; I520-Y522 HydrophobicContact CG2-CE1 4.23Å; I520-Y522 HydrophobicContact CG2-CE2 4.44Å; I520-Y522 HydrophobicContact CG2-CG 4.4Å; I520-F525 HydrophobicContact CG2-CB 3.85Å; I520-F525 HydrophobicContact CG2-CD2 4.11Å; I520-F525 HydrophobicContact CG2-CG 4.09Å
521D97.3Very high95.4Very high4 Ų449 Ų492%0.02125%0.248CC..  trans-91.8107163.4-172.6-91.1000109.5Y206 Q211 V434 Y435 T524 F525Y206-D521 HydrophobicContact CE2-CB 4.07Å; Q211-D521 WeakPolarHBondContact CG-OD2 3.28Å; V434-D521 HydrophobicContact CG1-CB 3.79Å; Y435-D521 PolarHBondContact O-N 3.04Å; D521-T524 PolarHBondContact O-N 3.39Å; D521-T524 WeakPolarHBondContact OD1-CB 2.91Å; D521-T524 PolarHBondContact OD1-N 2.95Å; D521-T524 PolarHBondContact OD1-OG1 3.15Å; D521-F525 WeakPolarHBondContact O-CB 3.47Å; D521-F525 PolarHBondContact O-N 3.18Å
522Y96.9Very high95.3Very high24 Ų2450.9 Ų50.99%0.09426%0.26CS..Hα-helixtrans-70.7-33.8-169.9-76.1-81.3000113.3I216 V219 L220 Y512 P514 I520 T524 F525 Y526I216-Y522 HydrophobicContact CD1-CD2 4.24Å; I216-Y522 HydrophobicContact CG1-CD2 4.09Å; I216-Y522 HydrophobicContact CG2-CD2 3.77Å; I216-Y522 HydrophobicContact CG2-CE2 4.25Å; I216-Y522 HydrophobicContact CG2-CG 4.03Å; V219-Y522 HydrophobicContact CG1-CD1 4.45Å; L220-Y522 HydrophobicContact CD2-CE1 4.36Å; Y512-Y522 AromaticContact CD2-CE1 3.95Å; Y512-Y522 HydrophobicContact CD2-CE1 3.95Å; Y512-Y522 AromaticContact CD2-CZ 3.84Å; Y512-Y522 WeakPolarHBondContact CD2-OH 3.22Å; Y512-Y522 HydrophobicContact CE2-CE1 4.1Å; Y512-Y522 AromaticContact CE2-CZ 3.75Å; Y512-Y522 VanDerWaalsContact CE2-OH 3.3Å; Y512-Y522 WeakPolarHBondContact CE2-OH 3.28Å; P514-Y522 VanDerWaalsContact CD-OH 3.22Å; P514-Y522 WeakPolarHBondContact CD-OH 3.49Å; I520-Y522 HydrophobicContact CB-CE2 4.38Å; I520-Y522 HydrophobicContact CG2-CD1 4.27Å; I520-Y522 HydrophobicContact CG2-CD2 4.48Å; I520-Y522 HydrophobicContact CG2-CE1 4.23Å; I520-Y522 HydrophobicContact CG2-CE2 4.44Å; I520-Y522 HydrophobicContact CG2-CG 4.4Å; Y522-T524 VanDerWaalsContact C-N 3.33Å; Y522-F525 HydrophobicContact CD1-CD1 4.27Å; Y522-F525 PolarHBondContact O-N 2.99Å; Y522-Y526 WeakPolarHBondContact O-CB 3.37Å; Y522-Y526 PolarHBondContact O-N 3.34Å
523E93.9Very high95.2Very high89 Ų8949.3 Ų49.342%0.41626%0.257SS..Hα-helixtrans-61.9-45.7175.5-65-178.388.200110.2D215D215-E523 HydrophobicContact CB-CG 4.15Å
524T94.6Very high95.2Very high15 Ų1545.1 Ų45.19%0.09223%0.23CC..Hα-helixtrans-72.1-39176.7-54.50000111.9Y206 P436 D521 Y522 Y526 V527 Y528Y206-T524 HydrophobicContact CD1-CG2 4.11Å; Y206-T524 HydrophobicContact CD2-CG2 4.25Å; Y206-T524 WeakPolarHBondContact CD2-OG1 3.3Å; Y206-T524 HydrophobicContact CE1-CG2 3.71Å; Y206-T524 HydrophobicContact CE2-CG2 3.86Å; Y206-T524 WeakPolarHBondContact CE2-OG1 3.19Å; Y206-T524 HydrophobicContact CG-CG2 4.37Å; P436-T524 HydrophobicContact CG-CG2 4.29Å; D521-T524 PolarHBondContact O-N 3.39Å; D521-T524 WeakPolarHBondContact OD1-CB 2.91Å; D521-T524 PolarHBondContact OD1-N 2.95Å; D521-T524 PolarHBondContact OD1-OG1 3.15Å; Y522-T524 VanDerWaalsContact C-N 3.33Å; T524-Y526 VanDerWaalsContact C-N 3.32Å; T524-Y526 PolarHBondContact O-N 3.31Å; T524-V527 PolarHBondContact O-N 3.15Å; T524-V527 VanDerWaalsContact O-N 3.15Å; T524-Y528 HydrophobicContact CG2-CD2 3.43Å; T524-Y528 VanDerWaalsContact CG2-CD2 3.43Å; T524-Y528 HydrophobicContact CG2-CE2 3.9Å; T524-Y528 VanDerWaalsContact O-CD2 3.31Å; T524-Y528 WeakPolarHBondContact O-CD2 3.29Å; T524-Y528 PolarHBondContact O-N 2.9Å
525F95.6Very high95.2Very high12 Ų1243.7 Ų43.75%0.05322%0.22CC..Hα-helixtrans-56.4-44.4175.7170.1-96000112.4Y435 P436 S507 Y509 I520 D521 Y522 V527 A529 Q530Y435-F525 HydrophobicContact CD1-CD2 4.24Å; Y435-F525 AromaticContact CE1-CD2 3.77Å; Y435-F525 HydrophobicContact CE1-CD2 3.77Å; Y435-F525 HydrophobicContact CE1-CE2 4.09Å; P436-F525 HydrophobicContact CG-CB 4.43Å; S507-F525 WeakPolarHBondContact OG-CZ 3.38Å; Y509-F525 VanDerWaalsContact O-CZ 3.31Å; Y509-F525 WeakPolarHBondContact O-CZ 3.49Å; I520-F525 HydrophobicContact CG2-CB 3.85Å; I520-F525 HydrophobicContact CG2-CD2 4.11Å; I520-F525 HydrophobicContact CG2-CG 4.09Å; D521-F525 WeakPolarHBondContact O-CB 3.47Å; D521-F525 PolarHBondContact O-N 3.18Å; Y522-F525 HydrophobicContact CD1-CD1 4.27Å; Y522-F525 PolarHBondContact O-N 2.99Å; F525-V527 PolarHBondContact O-N 2.87Å; F525-A529 HydrophobicContact CD2-CB 3.45Å; F525-A529 VanDerWaalsContact CD2-CB 3.45Å; F525-A529 HydrophobicContact CE2-CB 3.73Å; F525-A529 HydrophobicContact CG-CB 4.22Å; F525-A529 WeakPolarHBondContact O-CB 3.49Å; F525-A529 PolarHBondContact O-N 3.08Å; F525-Q530 PolarHBondContact O-NE2 3.38Å
526Y94.9Very high95.3Very high84 Ų8441 Ų4133%0.32921%0.208SC..Hα-helixtrans-57.6-36178.6177.7-106.5000112V219 C222 E226 Y522 T524 Q530V219-Y526 HydrophobicContact CG1-CD2 4.27Å; V219-Y526 HydrophobicContact CG1-CG 4.36Å; V219-Y526 HydrophobicContact CG2-CG 4.39Å; C222-Y526 HydrophobicContact CB-CE2 4Å; E226-Y526 PolarHBondContact OE1-OH 3.44Å; Y522-Y526 WeakPolarHBondContact O-CB 3.37Å; Y522-Y526 PolarHBondContact O-N 3.34Å; T524-Y526 VanDerWaalsContact C-N 3.32Å; T524-Y526 PolarHBondContact O-N 3.31Å; Y526-Q530 WeakPolarHBondContact O-CG 3.46Å
527V93.3Very high95.7Very high48 Ų4831.4 Ų31.429%0.29116%0.163SC..Hα-helixtrans-86.7-42.2-177.8-1760000112.6T524 F525T524-V527 PolarHBondContact O-N 3.15Å; T524-V527 VanDerWaalsContact O-N 3.15Å; F525-V527 PolarHBondContact O-N 2.87Å
528Y95.5Very high96.2Very high69 Ų6927 Ų2727%0.27114%0.139SC..Hα-helixtrans-113.5-7.9-164.6-56.5-70.2000115.5E200 L202 T524E200-Y528 WeakPolarHBondContact O-CE1 3.16Å; L202-Y528 HydrophobicContact CB-CD1 3.75Å; L202-Y528 HydrophobicContact CB-CD2 4.39Å; L202-Y528 HydrophobicContact CB-CE1 3.99Å; L202-Y528 HydrophobicContact CB-CG 3.95Å; L202-Y528 HydrophobicContact CD1-CD2 4.34Å; L202-Y528 HydrophobicContact CD1-CE2 4.05Å; T524-Y528 HydrophobicContact CG2-CD2 3.43Å; T524-Y528 VanDerWaalsContact CG2-CD2 3.43Å; T524-Y528 HydrophobicContact CG2-CE2 3.9Å; T524-Y528 VanDerWaalsContact O-CD2 3.31Å; T524-Y528 WeakPolarHBondContact O-CD2 3.29Å; T524-Y528 PolarHBondContact O-N 2.9Å
529A95.9Very high96.4Very high0 Ų026.5 Ų26.50%014%0.137CC..SBendtrans-113.121-179.600000114.2Y435 P436 P459 S507 Y508 F525Y435-A529 HydrophobicContact CE1-CB 3.86Å; P436-A529 HydrophobicContact CG-CB 3.82Å; P459-A529 HydrophobicContact CG-CB 3.95Å; S507-A529 WeakPolarHBondContact CA-O 3.33Å; S507-A529 PolarHBondContact OG-O 3.43Å; Y508-A529 PolarHBondContact N-O 3.25Å; F525-A529 HydrophobicContact CD2-CB 3.45Å; F525-A529 VanDerWaalsContact CD2-CB 3.45Å; F525-A529 HydrophobicContact CE2-CB 3.73Å; F525-A529 HydrophobicContact CG-CB 4.22Å; F525-A529 WeakPolarHBondContact O-CB 3.49Å; F525-A529 PolarHBondContact O-N 3.08Å
530Q95.5Very high96.5Very high65 Ų6524.1 Ų24.130%0.30412%0.117SC..BIsolated β-bridgetrans-90.2149.7170.5-49.3-49-47.100110.8R506 F525 Y526 P532R506-Q530 PolarHBondContact O-OE1 2.88Å; F525-Q530 PolarHBondContact O-NE2 3.38Å; Y526-Q530 WeakPolarHBondContact O-CG 3.46Å; Q530-P532 WeakPolarHBondContact O-CD 3.41Å
531L95.9Very high96.5Very high7 Ų723.6 Ų23.64%0.03711%0.114CC..  trans-78.6121170.6-69.5173.4000108.2L325 R506 Y508 V533L325-L531 HydrophobicContact CD1-CB 4.47Å; L325-L531 WeakPolarHBondContact CD1-O 3.45Å; R506-L531 PolarHBondContact O-N 3.22Å; Y508-L531 HydrophobicContact CD1-CD2 4.13Å; Y508-L531 HydrophobicContact CD2-CD2 4Å; Y508-L531 HydrophobicContact CD2-CG 4.48Å; Y508-L531 HydrophobicContact CE1-CD2 3.69Å; Y508-L531 HydrophobicContact CE2-CD2 3.56Å; Y508-L531 HydrophobicContact CE2-CG 4.37Å; Y508-L531 HydrophobicContact CG-CD2 4.27Å; L531-V533 VanDerWaalsContact C-N 3.32Å
532P95.3Very high96.5Very high47 Ų4723.4 Ų23.431%0.30511%0.113SC..SBendtrans-73.6-28.6179.728.1-33.9000112.5S461 Q530S461-P532 WeakPolarHBondContact OG-CD 3.5Å; S461-P532 WeakPolarHBondContact OG-CG 3.33Å; Q530-P532 WeakPolarHBondContact O-CD 3.41Å
533V96.3Very high96.4Very high26 Ų2627.2 Ų27.216%0.15813%0.132CC..SBendtrans-151.2168.9177-690000107.4P326 I468 L531 P535P326-V533 WeakPolarHBondContact O-CB 3.33Å; I468-V533 HydrophobicContact CG1-CG2 4.41Å; I468-V533 HydrophobicContact CG2-CG2 3.95Å; L531-V533 VanDerWaalsContact C-N 3.32Å; V533-P535 WeakPolarHBondContact O-CD 3.42Å
534T97.8Very high96.4Very high1 Ų125 Ų251%0.00612%0.123CC..BIsolated β-bridgetrans-68122163.5-60.80000108.5L325 P326 F327 L503 C554L325-T534 PolarHBondContact N-OG1 3.47Å; L325-T534 WeakPolarHBondContact O-CB 3.34Å; L325-T534 PolarHBondContact O-OG1 2.88Å; P326-T534 PolarHBondContact O-N 3.13Å; F327-T534 HydrophobicContact CD1-CG2 3.96Å; F327-T534 WeakPolarHBondContact CD1-O 3.48Å; F327-T534 HydrophobicContact CE1-CG2 3.21Å; F327-T534 HydrophobicContact CE2-CG2 4.11Å; F327-T534 HydrophobicContact CZ-CG2 3.27Å; L503-T534 HydrophobicContact CD2-CG2 4.12Å; T534-C554 HydrophobicContact CG2-CB 4.32Å
535P97.7Very high96.4Very high1 Ų132.4 Ų32.41%0.00615%0.149CC..  trans-70.5149.8-177.227.9-33.8000110.9F327 I468 L503 V533 V537 L538 C554F327-P535 WeakPolarHBondContact CE1-O 3.3Å; I468-P535 HydrophobicContact CG2-CB 4.38Å; L503-P535 HydrophobicContact CD2-CG 4.23Å; V533-P535 WeakPolarHBondContact O-CD 3.42Å; P535-V537 VanDerWaalsContact C-N 3.33Å; P535-L538 HydrophobicContact CG-CB 4.23Å; P535-L538 HydrophobicContact CG-CD1 4.48Å; P535-C554 WeakPolarHBondContact O-CB 3.47Å; P535-C554 PolarHBondContact O-SG 3.23Å
536D97.8Very high96.5Very high2 Ų233.3 Ų33.31%0.01115%0.152CC..SBendtrans-68.7-37.6171.1-65.9-57.1000110.8V467 I468 V555 R578 R586 P589V467-D536 HydrophobicContact CG1-CB 3.77Å; I468-D536 PolarHBondContact N-OD2 3.48Å; I468-D536 PolarHBondContact O-N 2.81Å; D536-V555 PolarHBondContact O-N 3.4Å; D536-R578 IonicContact OD2-NH2 3.86Å; D536-R586 IonicContact OD1-CZ 2.78Å; D536-R586 IonicContact OD1-NE 3.74Å; D536-R586 IonicContact OD1-NH2 2.79Å; D536-R586 PolarHBondContact OD1-NH2 3.19Å; D536-P589 HydrophobicContact CB-CG 3.72Å
537V98.6Very high96.7Very high0 Ų030 Ų300%014%0.14CC..EExtended strand (participates in β ladder)trans-131.9127.1177.6-175.60000109.6V467 I468 F469 G470 P535 I539 V555 V557 L574 C590V467-V537 HydrophobicContact CG1-CG2 4.41Å; I468-V537 PolarHBondContact O-N 2.82Å; F469-V537 CarbonylContact C-O 3.55Å; F469-V537 VanDerWaalsContact CA-O 3.25Å; F469-V537 WeakPolarHBondContact CA-O 3.32Å; F469-V537 HydrophobicContact CD1-CB 3.84Å; F469-V537 HydrophobicContact CD1-CG1 3.87Å; F469-V537 HydrophobicContact CE1-CB 3.78Å; F469-V537 HydrophobicContact CE1-CG1 3.63Å; F469-V537 HydrophobicContact CE1-CG2 4.17Å; F469-V537 HydrophobicContact CE2-CB 4.48Å; F469-V537 HydrophobicContact CE2-CG2 4.38Å; F469-V537 HydrophobicContact CG-CB 4.25Å; F469-V537 HydrophobicContact CZ-CB 4.11Å; F469-V537 HydrophobicContact CZ-CG1 4.31Å; F469-V537 HydrophobicContact CZ-CG2 4.03Å; G470-V537 PolarHBondContact N-O 3.1Å; P535-V537 VanDerWaalsContact C-N 3.33Å; V537-I539 HydrophobicContact CG1-CD1 3.64Å; V537-I539 HydrophobicContact CG1-CG1 4.36Å; V537-V555 CarbonylContact C-O 3.54Å; V537-V555 VanDerWaalsContact CA-O 3.31Å; V537-V555 WeakPolarHBondContact CA-O 3.23Å; V537-V555 WeakPolarHBondContact CG1-O 3.5Å; V537-V555 HydrophobicContact CG2-CB 4.5Å; V537-V557 HydrophobicContact CG1-CG2 4.38Å; V537-L574 HydrophobicContact CG1-CD2 3.69Å; V537-C590 HydrophobicContact CG2-CB 3.77Å
538L98.8Very high96.9Very high1 Ų128.5 Ų28.51%0.00513%0.131CC..EExtended strand (participates in β ladder)trans-109.2114.7173.5179.164.7000109.4L499 I502 L503 Y508 P535 I540 V555 C556 V557L499-L538 HydrophobicContact CD2-CD2 4.26Å; I502-L538 HydrophobicContact CG2-CD2 4.25Å; L503-L538 HydrophobicContact CD2-CD2 4.34Å; Y508-L538 HydrophobicContact CE1-CD1 4.37Å; P535-L538 HydrophobicContact CG-CB 4.23Å; P535-L538 HydrophobicContact CG-CD1 4.48Å; L538-I540 HydrophobicContact CG-CB 4.47Å; L538-I540 HydrophobicContact CG-CG2 4.4Å; L538-V555 PolarHBondContact N-O 2.85Å; L538-C556 CarbonylContact O-C 3.35Å; L538-C556 WeakPolarHBondContact O-CA 3.35Å; L538-V557 PolarHBondContact O-N 3.48Å
539I98.8Very high97Very high0 Ų027.7 Ų27.70%013%0.129CC..EExtended strand (participates in β ladder)trans-95.2115.3174.1-51.9-56.8000108.6V344 F378 F469 G470 L471 T472 V537 P541 V557 L574V344-I539 HydrophobicContact CG1-CG2 3.6Å; V344-I539 HydrophobicContact CG2-CD1 4.24Å; F378-I539 HydrophobicContact CE1-CG2 4.45Å; F378-I539 HydrophobicContact CE2-CB 4.34Å; F378-I539 HydrophobicContact CE2-CG2 3.52Å; F378-I539 HydrophobicContact CZ-CB 3.89Å; F378-I539 HydrophobicContact CZ-CG2 3.46Å; F378-I539 VanDerWaalsContact CZ-CG2 3.46Å; F469-I539 HydrophobicContact CD1-CD1 4.36Å; F469-I539 HydrophobicContact CD1-CG1 3.98Å; F469-I539 HydrophobicContact CE1-CD1 4.37Å; F469-I539 HydrophobicContact CE1-CG1 4.44Å; G470-I539 PolarHBondContact O-N 3.39Å; L471-I539 HydrophobicContact CD2-CB 4.04Å; L471-I539 HydrophobicContact CD2-CG1 3.86Å; T472-I539 PolarHBondContact N-O 3.06Å; V537-I539 HydrophobicContact CG1-CD1 3.64Å; V537-I539 HydrophobicContact CG1-CG1 4.36Å; I539-P541 HydrophobicContact CG2-CG 4.24Å; I539-V557 HydrophobicContact CD1-CB 3.84Å; I539-V557 HydrophobicContact CD1-CG1 4.43Å; I539-V557 HydrophobicContact CD1-CG2 4.22Å; I539-L574 HydrophobicContact CD1-CD2 4.44Å
540I98.4Very high97Very high1 Ų131.6 Ų31.61%0.00515%0.149CC..  trans-136.677.2-174.4-175.5160.5000109.9T472 L476 L477 L499 I502 L538 V557T472-I540 HydrophobicContact CG2-CB 4.35Å; T472-I540 HydrophobicContact CG2-CD1 4.4Å; T472-I540 HydrophobicContact CG2-CG1 4.14Å; L476-I540 HydrophobicContact CB-CD1 4.15Å; L476-I540 HydrophobicContact CD2-CD1 4.27Å; L477-I540 HydrophobicContact CD1-CB 4.42Å; L477-I540 HydrophobicContact CD1-CD1 4.21Å; L477-I540 HydrophobicContact CD1-CG1 3.9Å; L477-I540 HydrophobicContact CD1-CG2 3.84Å; L477-I540 HydrophobicContact CD2-CD1 4.25Å; L477-I540 HydrophobicContact CG-CD1 3.66Å; L477-I540 HydrophobicContact CG-CG1 3.83Å; L477-I540 HydrophobicContact CG-CG2 4.43Å; L499-I540 HydrophobicContact CD2-CG2 4.06Å; I502-I540 HydrophobicContact CD1-CD1 3.6Å; L538-I540 HydrophobicContact CG-CB 4.47Å; L538-I540 HydrophobicContact CG-CG2 4.4Å; I540-V557 PolarHBondContact N-O 2.92Å
541P98.3Very high97.1Very high0 Ų029 Ų290%014%0.138CC..  trans-60.4138.3178.5-18.934.2000111.4C346 F378 T472 I539 N558 P559C346-P541 HydrophobicContact CB-CB 3.66Å; C346-P541 HydrophobicContact CB-CG 3.84Å; C346-P541 VanDerWaalsContact SG-CB 3.54Å; F378-P541 HydrophobicContact CD1-CG 4.22Å; F378-P541 HydrophobicContact CD2-CG 4.3Å; F378-P541 HydrophobicContact CE1-CG 4.46Å; F378-P541 HydrophobicContact CG-CG 4.13Å; T472-P541 WeakPolarHBondContact O-CD 3.35Å; I539-P541 HydrophobicContact CG2-CG 4.24Å; P541-N558 WeakPolarHBondContact CA-OD1 3.47Å; P541-P559 HydrophobicContact CB-CG 4.18Å; P541-P559 HydrophobicContact CG-CG 4.04Å
542S97.5Very high97.1Very high0 Ų032.2 Ų32.20%016%0.155CC..  trans-145.2152.6-179.2178.10000111.6D475 L544 N558D475-S542 WeakPolarHBondContact OD1-CA 3.36Å; D475-S542 WeakPolarHBondContact OD1-CB 3.47Å; D475-S542 PolarHBondContact OD1-OG 3.29Å; D475-S542 VanDerWaalsContact OD2-CA 3.29Å; D475-S542 WeakPolarHBondContact OD2-CA 3.44Å; D475-S542 PolarHBondContact OD2-OG 3.31Å; S542-L544 PolarHBondContact O-N 3.03Å; S542-L544 WeakPolarHBondContact OG-CB 3.1Å; S542-L544 WeakPolarHBondContact OG-CG 3.35Å; S542-L544 PolarHBondContact OG-N 2.95Å; S542-L544 VanDerWaalsContact OG-N 3.13Å; S542-N558 PolarHBondContact N-OD1 3.17Å
543E93.8Very high97.1Very high104 Ų10430.9 Ų30.949%0.48615%0.149SC..SBendtrans-62.3-22.8167.8-68-166.4177.500112.4R427 D475 K564R427-E543 IonicContact NH1-OE1 2.88Å; R427-E543 PolarHBondContact NH1-OE1 3.1Å; D475-E543 PolarHBondContact OD2-N 3.26Å; E543-K564 PolarHBondContact O-NZ 3.38Å
544L94.8Very high97.1Very high41 Ų4129.6 Ų29.622%0.21514%0.142CC..SBendtrans-57.2167.8171.5-63.9172.3000112.2L477 F478 F495 S542 Y546 N558 K564L477-L544 HydrophobicContact CB-CD1 4.05Å; F478-L544 HydrophobicContact CB-CD1 4.46Å; F478-L544 HydrophobicContact CD2-CD2 4.13Å; F478-L544 HydrophobicContact CD2-CG 4.3Å; F495-L544 HydrophobicContact CE1-CD1 3.74Å; F495-L544 HydrophobicContact CZ-CB 4.29Å; F495-L544 HydrophobicContact CZ-CD1 4.07Å; S542-L544 PolarHBondContact O-N 3.03Å; S542-L544 WeakPolarHBondContact OG-CB 3.1Å; S542-L544 WeakPolarHBondContact OG-CG 3.35Å; S542-L544 PolarHBondContact OG-N 2.95Å; S542-L544 VanDerWaalsContact OG-N 3.13Å; L544-Y546 PolarHBondContact O-N 3.48Å; L544-N558 PolarHBondContact O-ND2 3.42Å; L544-K564 PolarHBondContact O-NZ 2.73Å
545R94.9Very high97.2Very high172 Ų17229.6 Ų29.665%0.64914%0.142SC*.PPolyproline II helixtrans-61.1134.4178.4-170.9175.6-179.1176.7-0.4109.8F547 N558R545-F547 WeakPolarHBondContact O-CD1 3.36Å; R545-N558 PolarHBondContact O-ND2 3.21Å; R545-N558 VanDerWaalsContact O-ND2 3.1Å
546Y97.2Very high97.2Very high31 Ų3129.5 Ų29.512%0.12214%0.141CC..PPolyproline II helixtrans-53.7148.1173.950.3-102.4000111.4V171 T172 L544 N558 T570 V595V171-Y546 HydrophobicContact CB-CD2 4.36Å; V171-Y546 HydrophobicContact CB-CE1 4.25Å; V171-Y546 HydrophobicContact CB-CE2 3.52Å; V171-Y546 VanDerWaalsContact CB-CZ 3.46Å; V171-Y546 WeakPolarHBondContact CB-OH 3.26Å; V171-Y546 HydrophobicContact CG2-CD1 4.17Å; V171-Y546 HydrophobicContact CG2-CD2 3.7Å; V171-Y546 HydrophobicContact CG2-CE1 3.83Å; V171-Y546 HydrophobicContact CG2-CE2 3.34Å; V171-Y546 HydrophobicContact CG2-CG 4.15Å; V171-Y546 VanDerWaalsContact CG2-CZ 3.44Å; T172-Y546 VanDerWaalsContact OG1-CD2 3.24Å; T172-Y546 WeakPolarHBondContact OG1-CD2 3.38Å; T172-Y546 WeakPolarHBondContact OG1-CE2 3.4Å; L544-Y546 PolarHBondContact O-N 3.48Å; Y546-N558 VanDerWaalsContact CA-O 3.26Å; Y546-N558 WeakPolarHBondContact CA-O 3.5Å; Y546-N558 WeakPolarHBondContact CB-O 3.33Å; Y546-T570 HydrophobicContact CD1-CG2 3.89Å; Y546-T570 HydrophobicContact CE1-CG2 4.09Å; Y546-V595 HydrophobicContact CD1-CG1 4.5Å; Y546-V595 HydrophobicContact CD2-CB 4.47Å; Y546-V595 HydrophobicContact CD2-CG1 4.15Å; Y546-V595 HydrophobicContact CG-CG1 3.89Å
547F98.2Very high97.3Very high14 Ų1429.4 Ų29.46%0.06114%0.141CC..EExtended strand (participates in β ladder)trans-160.9165.3176.164.3-103.4000111.3L477 F495 L499 R545 K549 N558L477-F547 HydrophobicContact CD1-CE1 3.75Å; L477-F547 HydrophobicContact CD1-CZ 3.56Å; L477-F547 HydrophobicContact CD2-CZ 4.48Å; F495-F547 HydrophobicContact CB-CE1 4.3Å; F495-F547 HydrophobicContact CB-CZ 4.44Å; F495-F547 AromaticContact CD2-CD1 3.68Å; F495-F547 HydrophobicContact CD2-CD1 3.68Å; F495-F547 AromaticContact CD2-CE1 3.77Å; F495-F547 HydrophobicContact CD2-CE1 3.77Å; F495-F547 HydrophobicContact CD2-CG 4.5Å; F495-F547 HydrophobicContact CE2-CD1 4.07Å; F495-F547 HydrophobicContact CE2-CE1 4.28Å; F495-F547 HydrophobicContact CG-CD1 4.43Å; F495-F547 HydrophobicContact CG-CE1 4.08Å; L499-F547 HydrophobicContact CD1-CE2 3.73Å; L499-F547 HydrophobicContact CD1-CZ 3.97Å; R545-F547 WeakPolarHBondContact O-CD1 3.36Å; F547-K549 HydrophobicContact CD2-CB 4.29Å; F547-K549 HydrophobicContact CD2-CD 3.86Å; F547-K549 HydrophobicContact CD2-CG 3.82Å; F547-K549 HydrophobicContact CE2-CD 4.17Å; F547-K549 HydrophobicContact CE2-CG 4.39Å; F547-K549 HydrophobicContact CG-CD 4.38Å; F547-N558 HydrophobicContact CD1-CB 3.81Å; F547-N558 HydrophobicContact CD2-CB 4.4Å; F547-N558 HydrophobicContact CE1-CB 3.61Å; F547-N558 HydrophobicContact CE2-CB 4.21Å; F547-N558 HydrophobicContact CG-CB 4.21Å; F547-N558 HydrophobicContact CZ-CB 3.83Å; F547-N558 PolarHBondContact N-O 3.02Å; F547-N558 VanDerWaalsContact N-O 3.07Å; F547-N558 PolarHBondContact O-N 3.08Å
548V98.2Very high97.3Very high17 Ų1729.4 Ų29.410%0.10314%0.141CC..EExtended strand (participates in β ladder)trans-132.2128.2164.3-175.30000107.7T172 F174 V555 C556 V557 V593 V595T172-V548 HydrophobicContact CG2-CG2 4.26Å; F174-V548 HydrophobicContact CB-CB 3.76Å; F174-V548 HydrophobicContact CB-CG1 3.44Å; F174-V548 VanDerWaalsContact CB-CG1 3.44Å; F174-V548 HydrophobicContact CB-CG2 4.39Å; F174-V548 HydrophobicContact CD1-CG1 3.98Å; F174-V548 HydrophobicContact CD2-CG1 3.94Å; F174-V548 HydrophobicContact CG-CB 4.28Å; F174-V548 HydrophobicContact CG-CG1 3.52Å; V548-V555 HydrophobicContact CG1-CG1 3.84Å; V548-C556 WeakPolarHBondContact CA-O 2.87Å; V548-V557 HydrophobicContact CG1-CG2 4.11Å; V548-V557 HydrophobicContact CG2-CG1 4.28Å; V548-V557 HydrophobicContact CG2-CG2 4.43Å; V548-V593 HydrophobicContact CG1-CB 4.08Å; V548-V593 HydrophobicContact CG1-CG1 4.35Å; V548-V593 HydrophobicContact CG1-CG2 4.21Å; V548-V593 HydrophobicContact CG2-CB 4.03Å; V548-V593 HydrophobicContact CG2-CG1 3.58Å; V548-V595 HydrophobicContact CG2-CG2 4.08Å
549K96.9Very high97.2Very high52 Ų5229.4 Ų29.423%0.22614%0.14CC..EExtended strand (participates in β ladder)trans-139.2139-177.4-69.8175.6177.5-74.80110.1D493 F495 L499 F547 V551 C556D493-K549 VanDerWaalsContact CG-NZ 3.35Å; D493-K549 IonicContact OD1-NZ 3.32Å; D493-K549 WeakPolarHBondContact OD2-CD 3.18Å; D493-K549 WeakPolarHBondContact OD2-CE 3.21Å; D493-K549 IonicContact OD2-NZ 3.62Å; D493-K549 PolarHBondContact OD2-NZ 3.45Å; F495-K549 HydrophobicContact CB-CD 4.2Å; L499-K549 HydrophobicContact CD1-CB 4.41Å; L499-K549 HydrophobicContact CD1-CD 4.32Å; F547-K549 HydrophobicContact CD2-CB 4.29Å; F547-K549 HydrophobicContact CD2-CD 3.86Å; F547-K549 HydrophobicContact CD2-CG 3.82Å; F547-K549 HydrophobicContact CE2-CD 4.17Å; F547-K549 HydrophobicContact CE2-CG 4.39Å; F547-K549 HydrophobicContact CG-CD 4.38Å; K549-V551 HydrophobicContact CB-CG2 4.15Å; K549-C556 PolarHBondContact N-O 3.33Å; K549-C556 PolarHBondContact O-N 3.16Å
550D96.9Very high97.2Very high82 Ų8229.4 Ų29.444%0.43914%0.14SC..EExtended strand (participates in β ladder)trans-87.4119.7164.5-171.1-37.6000108.2F174 G553 C554F174-D550 HydrophobicContact CE2-CB 4.16Å; F174-D550 HydrophobicContact CZ-CB 4.13Å; D550-G553 WeakPolarHBondContact OD1-CA 3.4Å; D550-G553 PolarHBondContact OD1-N 3.1Å; D550-C554 WeakPolarHBondContact CA-O 3.44Å
551V96.7Very high97.2Very high10 Ų1029.8 Ų29.86%0.06114%0.142CC..EExtended strand (participates in β ladder)trans-129.9116.8177.8-176.60000108.4L499 K500 L503 K549 G553 C554L499-V551 HydrophobicContact CB-CB 4.29Å; L499-V551 HydrophobicContact CB-CG1 4.17Å; L499-V551 HydrophobicContact CB-CG2 3.98Å; L499-V551 HydrophobicContact CD1-CG2 3.88Å; K500-V551 HydrophobicContact CB-CG1 4.09Å; L503-V551 HydrophobicContact CD1-CB 4.39Å; L503-V551 HydrophobicContact CD1-CG1 4.25Å; L503-V551 WeakPolarHBondContact CD1-O 3.16Å; K549-V551 HydrophobicContact CB-CG2 4.15Å; V551-G553 PolarHBondContact O-N 3.39Å; V551-G553 VanDerWaalsContact O-N 3.16Å; V551-C554 PolarHBondContact N-O 3.42Å; V551-C554 WeakPolarHBondContact O-CB 3.27Å; V551-C554 PolarHBondContact O-N 3.38Å
552L95.6Very high97.2Very high74 Ų7429.8 Ų29.839%0.38714%0.142SC..THydrogen-bonded Turntrans54.528.5-177-58.3175.9000113.5P324 F327 K500 L503 T504 C554P324-L552 HydrophobicContact CB-CD1 4.35Å; P324-L552 HydrophobicContact CG-CD1 4.1Å; F327-L552 WeakPolarHBondContact CZ-O 3.41Å; K500-L552 HydrophobicContact CG-CD1 4.05Å; L503-L552 HydrophobicContact CB-CD1 4.46Å; L503-L552 HydrophobicContact CD1-CB 4.29Å; L503-L552 HydrophobicContact CD1-CD1 4.48Å; T504-L552 HydrophobicContact CG2-CD1 3.93Å; L552-C554 VanDerWaalsContact C-N 3.33Å
553G95.3Very high97.2Very high19 Ų1930 Ų3020%0.19614%0.143CC..THydrogen-bonded Turntrans82.54.1-176.500000114.4D550 V551 R586D550-G553 WeakPolarHBondContact OD1-CA 3.4Å; D550-G553 PolarHBondContact OD1-N 3.1Å; V551-G553 PolarHBondContact O-N 3.39Å; V551-G553 VanDerWaalsContact O-N 3.16Å; G553-R586 VanDerWaalsContact C-NH1 3.35Å; G553-R586 PolarHBondContact O-NH1 3.07Å; G553-R586 PolarHBondContact O-NH2 3.19Å
554C97.9Very high97.3Very high0 Ų029 Ų290%014%0.137CC..EExtended strand (participates in β ladder)trans-95.3131.1170172.30000109.6F327 L503 T534 P535 D550 V551 L552 C556F327-C554 HydrophobicContact CE1-CB 4.43Å; L503-C554 HydrophobicContact CD1-CB 3.81Å; L503-C554 HydrophobicContact CD2-CB 4.32Å; T534-C554 HydrophobicContact CG2-CB 4.32Å; P535-C554 WeakPolarHBondContact O-CB 3.47Å; P535-C554 PolarHBondContact O-SG 3.23Å; D550-C554 WeakPolarHBondContact CA-O 3.44Å; V551-C554 PolarHBondContact N-O 3.42Å; V551-C554 WeakPolarHBondContact O-CB 3.27Å; V551-C554 PolarHBondContact O-N 3.38Å; L552-C554 VanDerWaalsContact C-N 3.33Å; C554-C556 PolarHBondContact O-N 2.95Å
555V98.3Very high97.2Very high0 Ų029 Ų290%015%0.147CC..EExtended strand (participates in β ladder)trans-83.398.6173.6-177.40000109F174 D536 V537 L538 V548 V557 C590 V593F174-V555 HydrophobicContact CD1-CG1 4.33Å; F174-V555 HydrophobicContact CE1-CG1 4.12Å; F174-V555 HydrophobicContact CE1-CG2 4.06Å; F174-V555 HydrophobicContact CZ-CG2 4.33Å; D536-V555 PolarHBondContact O-N 3.4Å; V537-V555 CarbonylContact C-O 3.54Å; V537-V555 VanDerWaalsContact CA-O 3.31Å; V537-V555 WeakPolarHBondContact CA-O 3.23Å; V537-V555 WeakPolarHBondContact CG1-O 3.5Å; V537-V555 HydrophobicContact CG2-CB 4.5Å; L538-V555 PolarHBondContact N-O 2.85Å; V548-V555 HydrophobicContact CG1-CG1 3.84Å; V555-V557 HydrophobicContact CG1-CG2 4.1Å; V555-C590 HydrophobicContact CB-CB 4.32Å; V555-C590 HydrophobicContact CG2-CB 3.95Å; V555-V593 HydrophobicContact CG1-CG2 4.17Å
556C98.6Very high97.2Very high0 Ų024 Ų240%013%0.131CC..EExtended strand (participates in β ladder)trans-86.7125177.7-52.70000110.8L499 L538 V548 K549 C554L499-C556 HydrophobicContact CD1-CB 3.65Å; L499-C556 HydrophobicContact CD2-CB 3.75Å; L499-C556 HydrophobicContact CG-CB 4.25Å; L538-C556 CarbonylContact O-C 3.35Å; L538-C556 WeakPolarHBondContact O-CA 3.35Å; V548-C556 WeakPolarHBondContact CA-O 2.87Å; K549-C556 PolarHBondContact N-O 3.33Å; K549-C556 PolarHBondContact O-N 3.16Å; C554-C556 PolarHBondContact O-N 2.95Å
557V98.8Very high97.1Very high0 Ų025.7 Ų25.70%014%0.144CC..EExtended strand (participates in β ladder)trans-123.4118.2-176.2-176.30000109.7V537 L538 I539 I540 V548 V555 P559 A572 L574 V593V537-V557 HydrophobicContact CG1-CG2 4.38Å; L538-V557 PolarHBondContact O-N 3.48Å; I539-V557 HydrophobicContact CD1-CB 3.84Å; I539-V557 HydrophobicContact CD1-CG1 4.43Å; I539-V557 HydrophobicContact CD1-CG2 4.22Å; I540-V557 PolarHBondContact N-O 2.92Å; V548-V557 HydrophobicContact CG1-CG2 4.11Å; V548-V557 HydrophobicContact CG2-CG1 4.28Å; V548-V557 HydrophobicContact CG2-CG2 4.43Å; V555-V557 HydrophobicContact CG1-CG2 4.1Å; V557-P559 WeakPolarHBondContact O-CD 3.43Å; V557-A572 HydrophobicContact CG1-CB 4.1Å; V557-L574 HydrophobicContact CG2-CD2 4.21Å; V557-V593 HydrophobicContact CG1-CG1 4.26Å; V557-V593 HydrophobicContact CG2-CG1 4.18Å; V557-V593 HydrophobicContact CG2-CG2 4.38Å
558N98.7Very high96.9Very high0 Ų025.3 Ų25.30%014%0.144CC..EExtended strand (participates in β ladder)trans-98.8102.3159.9174.416.9000107.8L477 P541 S542 L544 R545 Y546 F547 G560L477-N558 HydrophobicContact CD1-CB 4.45Å; P541-N558 WeakPolarHBondContact CA-OD1 3.47Å; S542-N558 PolarHBondContact N-OD1 3.17Å; L544-N558 PolarHBondContact O-ND2 3.42Å; R545-N558 PolarHBondContact O-ND2 3.21Å; R545-N558 VanDerWaalsContact O-ND2 3.1Å; Y546-N558 VanDerWaalsContact CA-O 3.26Å; Y546-N558 WeakPolarHBondContact CA-O 3.5Å; Y546-N558 WeakPolarHBondContact CB-O 3.33Å; F547-N558 HydrophobicContact CD1-CB 3.81Å; F547-N558 HydrophobicContact CD2-CB 4.4Å; F547-N558 HydrophobicContact CE1-CB 3.61Å; F547-N558 HydrophobicContact CE2-CB 4.21Å; F547-N558 HydrophobicContact CG-CB 4.21Å; F547-N558 HydrophobicContact CZ-CB 3.83Å; F547-N558 PolarHBondContact N-O 3.02Å; F547-N558 VanDerWaalsContact N-O 3.07Å; F547-N558 PolarHBondContact O-N 3.08Å; N558-G560 PolarHBondContact O-N 3.48Å; N558-G560 WeakPolarHBondContact OD1-CA 3.46Å; N558-G560 PolarHBondContact OD1-N 3.44Å
559P98.4Very high96.9Very high0 Ų024.6 Ų24.60%014%0.14CC..  trans-68.8-11.6177.830.1-36.8000112.9V344 P541 V557 T570 A572V344-P559 HydrophobicContact CG1-CB 4.39Å; V344-P559 HydrophobicContact CG1-CG 4.07Å; P541-P559 HydrophobicContact CB-CG 4.18Å; P541-P559 HydrophobicContact CG-CG 4.04Å; V557-P559 WeakPolarHBondContact O-CD 3.43Å; P559-T570 WeakPolarHBondContact O-CB 3.5Å; P559-T570 PolarHBondContact O-OG1 3.24Å; P559-A572 HydrophobicContact CB-CB 3.76Å
560G98.1Very high97Very high0 Ų022.2 Ų22.20%013%0.13CC..  trans74.3-175.3-164.500000112.1N558N558-G560 PolarHBondContact O-N 3.48Å; N558-G560 WeakPolarHBondContact OD1-CA 3.46Å; N558-G560 PolarHBondContact OD1-N 3.44Å
561R98.3Very high97.1Very high9 Ų918.6 Ų18.63%0.03411%0.11CC..  trans-90143.4172.3-53.9-71.2175.1-175.6-1.4108.8C346 G347 D475 T563 K564 G569 T570C346-R561 PolarHBondContact SG-NH1 3.3Å; G347-R561 WeakPolarHBondContact O-CD 3.44Å; D475-R561 IonicContact OD2-NH2 3.2Å; D475-R561 PolarHBondContact OD2-NH2 2.94Å; D475-R561 VanDerWaalsContact OD2-NH2 3.08Å; R561-T563 WeakPolarHBondContact CB-O 3.28Å; R561-T563 PolarHBondContact O-N 3Å; R561-K564 HydrophobicContact CB-CG 4.25Å; R561-G569 CarbonylContact O-C 3.58Å; R561-G569 VanDerWaalsContact O-CA 3.27Å; R561-G569 WeakPolarHBondContact O-CA 3.3Å; R561-T570 CarbonylContact C-O 3.55Å; R561-T570 PolarHBondContact O-N 2.9Å
562L98.4Very high97.2Very high0 Ų018.1 Ų18.10%011%0.108CC..SBendtrans-64.2-30.3177.3-167.774.3000111.5A345 C346 Y349 P359 L363 G569 T570 F571 I598A345-L562 HydrophobicContact CB-CD1 4.35Å; C346-L562 VanDerWaalsContact O-CB 3.27Å; C346-L562 WeakPolarHBondContact O-CB 3.34Å; C346-L562 PolarHBondContact O-N 3.43Å; Y349-L562 HydrophobicContact CD1-CD2 3.36Å; Y349-L562 HydrophobicContact CE1-CD2 3.79Å; Y349-L562 HydrophobicContact CG-CD2 4.32Å; P359-L562 HydrophobicContact CB-CD2 4.21Å; P359-L562 HydrophobicContact CB-CG 4.47Å; L363-L562 HydrophobicContact CB-CD2 4.18Å; L363-L562 HydrophobicContact CD1-CD1 4.36Å; L363-L562 HydrophobicContact CD2-CD1 4.46Å; L363-L562 HydrophobicContact CD2-CD2 3.9Å; L562-G569 WeakPolarHBondContact O-CA 3.4Å; L562-G569 PolarHBondContact O-N 3.29Å; L562-T570 WeakPolarHBondContact CA-O 3.45Å; L562-F571 HydrophobicContact CD1-CB 4.11Å; L562-I598 HydrophobicContact CD1-CB 3.8Å; L562-I598 HydrophobicContact CD1-CD1 4.37Å; L562-I598 HydrophobicContact CD1-CG1 3.89Å; L562-I598 HydrophobicContact CD1-CG2 3.9Å; L562-I598 HydrophobicContact CG-CB 4.49Å; L562-I598 HydrophobicContact CG-CG1 4.49Å; L562-I598 HydrophobicContact CG-CG2 4.1Å; L562-I598 VanDerWaalsContact O-CG2 3.31Å; L562-I598 WeakPolarHBondContact O-CG2 3.29Å
563T97.6Very high97.2Very high4 Ų416.1 Ų16.13%0.02510%0.095CC..EExtended strand (participates in β ladder)trans-131.1140.2175.2-42.70000110.3P348 T350 T351 P359 R561 V567P348-T563 VanDerWaalsContact O-CB 3.23Å; P348-T563 WeakPolarHBondContact O-CB 3.24Å; P348-T563 PolarHBondContact O-N 3.31Å; P348-T563 PolarHBondContact O-OG1 2.89Å; T350-T563 WeakPolarHBondContact O-CG2 3.4Å; T351-T563 HydrophobicContact CG2-CG2 3.84Å; P359-T563 HydrophobicContact CG-CG2 4.3Å; P359-T563 WeakPolarHBondContact CG-OG1 3.3Å; R561-T563 WeakPolarHBondContact CB-O 3.28Å; R561-T563 PolarHBondContact O-N 3Å; T563-V567 WeakPolarHBondContact CG2-O 3.34Å
564K94.8Very high97.3Very high85 Ų8515.2 Ų15.237%0.379%0.086SC..EExtended strand (participates in β ladder)trans-127.999.8173.7-65.6-164.4178.8-159.10109.2E543 L544 R561 Q566 V567E543-K564 PolarHBondContact O-NZ 3.38Å; L544-K564 PolarHBondContact O-NZ 2.73Å; R561-K564 HydrophobicContact CB-CG 4.25Å; K564-Q566 PolarHBondContact O-N 3.17Å; K564-V567 PolarHBondContact N-O 2.77Å; K564-V567 PolarHBondContact O-N 3.47Å
565G93.9Very high97.2Very high40 Ų4016 Ų1641%0.4129%0.088SC..THydrogen-bonded Turntrans60.6-119.5-173.800000111.5T351 S352T351-G565 WeakPolarHBondContact CA-O 3.47Å; S352-G565 PolarHBondContact N-O 3.22Å; S352-G565 VanDerWaalsContact OG-C 3.28Å
566Q95.3Very high96.9Very high68 Ų6816.2 Ų16.232%0.3189%0.09SC..THydrogen-bonded Turntrans-91.42.5-178.9-62.5178.9-25.400114.2K160 Y161 D353 K564K160-Q566 HydrophobicContact CB-CB 4.43Å; K160-Q566 WeakPolarHBondContact CB-O 3.32Å; K160-Q566 HydrophobicContact CD-CB 4.09Å; Y161-Q566 PolarHBondContact N-O 2.77Å; D353-Q566 HydrophobicContact CB-CG 4.28Å; K564-Q566 PolarHBondContact O-N 3.17Å
567V95.1Very high96.4Very high66 Ų6623.5 Ų23.540%0.412%0.117SC..EExtended strand (participates in β ladder)trans-122152.7-170.6-172.10000111.1T563 K564T563-V567 WeakPolarHBondContact CG2-O 3.34Å; K564-V567 PolarHBondContact N-O 2.77Å; K564-V567 PolarHBondContact O-N 3.47Å
568G94.3Very high95.6Very high5 Ų525.4 Ų25.45%0.05212%0.124CC..EExtended strand (participates in β ladder)trans-62.3134.3174.300000112
569G97.7Very high94.6Very high3 Ų327.5 Ų27.53%0.03114%0.138CC..  trans-96-134.1174.900000111.5R561 L562 R597 I598R561-G569 CarbonylContact O-C 3.58Å; R561-G569 VanDerWaalsContact O-CA 3.27Å; R561-G569 WeakPolarHBondContact O-CA 3.3Å; L562-G569 WeakPolarHBondContact O-CA 3.4Å; L562-G569 PolarHBondContact O-N 3.29Å; G569-R597 WeakPolarHBondContact O-CA 3.05Å; G569-I598 PolarHBondContact O-N 2.8Å
570T98.6Very high93.2Very high2 Ų230.9 Ų30.91%0.01217%0.166CC..EExtended strand (participates in β ladder)trans-143.2159.5-173.149.80000112.3V171 Y546 P559 R561 L562 V595 V596 R597V171-T570 HydrophobicContact CG2-CG2 3.95Å; Y546-T570 HydrophobicContact CD1-CG2 3.89Å; Y546-T570 HydrophobicContact CE1-CG2 4.09Å; P559-T570 WeakPolarHBondContact O-CB 3.5Å; P559-T570 PolarHBondContact O-OG1 3.24Å; R561-T570 CarbonylContact C-O 3.55Å; R561-T570 PolarHBondContact O-N 2.9Å; L562-T570 WeakPolarHBondContact CA-O 3.45Å; T570-V595 HydrophobicContact CG2-CG1 4.08Å; T570-V596 CarbonylContact C-O 3.6Å; T570-V596 WeakPolarHBondContact CA-O 3.49Å; T570-V596 WeakPolarHBondContact CB-O 3.49Å; T570-R597 HydrophobicContact CG2-CG 3.93Å
571F98.7Very high91.6Very high5 Ų537.7 Ų37.72%0.02221%0.207CC..EExtended strand (participates in β ladder)trans-131.2170.9165.969.1-81.4000108.7L343 V344 A345 V366 L562 V595 V596 I598L343-F571 HydrophobicContact CD1-CD2 3.99Å; L343-F571 HydrophobicContact CD1-CE2 3.94Å; L343-F571 HydrophobicContact CG-CD2 4.11Å; L343-F571 HydrophobicContact CG-CE2 4.49Å; V344-F571 WeakPolarHBondContact O-CB 3.43Å; A345-F571 HydrophobicContact CB-CB 4.06Å; V366-F571 HydrophobicContact CG1-CE1 4.47Å; V366-F571 HydrophobicContact CG1-CE2 3.94Å; V366-F571 HydrophobicContact CG1-CZ 3.69Å; L562-F571 HydrophobicContact CD1-CB 4.11Å; F571-V595 CarbonylContact O-C 3.59Å; F571-V595 WeakPolarHBondContact O-CA 3.34Å; F571-V596 HydrophobicContact CD1-CB 4.45Å; F571-V596 WeakPolarHBondContact CD1-O 3.49Å; F571-V596 HydrophobicContact CE1-CB 3.88Å; F571-V596 HydrophobicContact CE1-CG1 4.08Å; F571-V596 HydrophobicContact CE2-CB 4.36Å; F571-V596 HydrophobicContact CZ-CB 3.82Å; F571-V596 HydrophobicContact CZ-CG1 4.07Å; F571-V596 HydrophobicContact CZ-CG2 4.48Å; F571-V596 PolarHBondContact N-O 3.33Å; F571-V596 PolarHBondContact O-N 3.07Å; F571-I598 HydrophobicContact CD1-CB 4.14Å; F571-I598 HydrophobicContact CD1-CD1 3.94Å; F571-I598 HydrophobicContact CE1-CD1 3.89Å
572A98.4Very high89.6Confident0 Ų044.6 Ų44.60%025%0.245CC..EExtended strand (participates in β ladder)trans-124.6157.1176.500000112.3V344 V557 P559 Q594 V595V344-A572 PolarHBondContact N-O 3.01Å; V344-A572 PolarHBondContact O-N 3.37Å; V557-A572 HydrophobicContact CG1-CB 4.1Å; P559-A572 HydrophobicContact CB-CB 3.76Å; A572-Q594 CarbonylContact C-O 3.6Å; A572-Q594 WeakPolarHBondContact CA-O 3.45Å; A572-V595 HydrophobicContact CB-CG2 4.29Å
573R97.1Very high87.7Confident32 Ų3247.1 Ų47.112%0.12127%0.272CS..EExtended strand (participates in β ladder)trans-137140172.453.5-173.9-177.4-167.91.6110.4W182 M341 V342 D370 V593 Q594W182-R573 VanDerWaalsContact CB-CZ 3.42Å; W182-R573 VanDerWaalsContact CB-NH1 3.35Å; W182-R573 HydrophobicContact CD2-CG 3.73Å; W182-R573 VanDerWaalsContact CD2-NE 3.28Å; W182-R573 HydrophobicContact CE3-CB 3.79Å; W182-R573 VanDerWaalsContact CE3-CD 3.46Å; W182-R573 HydrophobicContact CE3-CG 3.46Å; W182-R573 VanDerWaalsContact CE3-CG 3.46Å; W182-R573 HydrophobicContact CG-CG 4.4Å; W182-R573 HydrophobicContact CH2-CG 4.05Å; W182-R573 VanDerWaalsContact CH2-O 3.26Å; W182-R573 WeakPolarHBondContact CH2-O 3.1Å; W182-R573 HydrophobicContact CZ2-CG 4.32Å; W182-R573 VanDerWaalsContact CZ3-C 3.45Å; W182-R573 HydrophobicContact CZ3-CB 3.8Å; W182-R573 HydrophobicContact CZ3-CG 3.63Å; W182-R573 WeakPolarHBondContact CZ3-O 3.49Å; M341-R573 HydrophobicContact CE-CB 3.86Å; M341-R573 HydrophobicContact CE-CG 4.43Å; V342-R573 CarbonylContact O-C 3.38Å; V342-R573 VanDerWaalsContact O-CA 3.3Å; V342-R573 WeakPolarHBondContact O-CA 3.19Å; D370-R573 IonicContact OD2-NH1 2.9Å; D370-R573 PolarHBondContact OD2-NH1 2.85Å; R573-V593 CarbonylContact O-C 3.3Å; R573-V593 WeakPolarHBondContact O-CA 3.42Å; R573-Q594 HydrophobicContact CG-CB 4.11Å; R573-Q594 PolarHBondContact N-O 2.89Å; R573-Q594 PolarHBondContact O-N 3.45Å
574L97.1Very high85.8Confident0 Ų054.6 Ų54.60%032%0.317CS..EExtended strand (participates in β ladder)trans-126.7140.1-173.9-56.588.9000110M341 V342 V344 F469 V537 I539 V557 L576 A592 V593M341-L574 CarbonylContact C-O 3.56Å; M341-L574 WeakPolarHBondContact CA-O 3.36Å; V342-L574 HydrophobicContact CB-CB 4.48Å; V342-L574 PolarHBondContact N-O 2.99Å; V342-L574 PolarHBondContact O-N 3.48Å; V344-L574 HydrophobicContact CB-CD1 4.43Å; V344-L574 HydrophobicContact CG2-CD1 3.6Å; F469-L574 HydrophobicContact CE1-CD2 4.26Å; V537-L574 HydrophobicContact CG1-CD2 3.69Å; I539-L574 HydrophobicContact CD1-CD2 4.44Å; V557-L574 HydrophobicContact CG2-CD2 4.21Å; L574-L576 HydrophobicContact CB-CD2 4.49Å; L574-A592 CarbonylContact C-O 3.56Å; L574-A592 WeakPolarHBondContact CA-O 3.44Å; L574-V593 HydrophobicContact CB-CG2 4.33Å; L574-V593 HydrophobicContact CD2-CG2 3.82Å; L574-V593 HydrophobicContact CG-CB 4.44Å; L574-V593 HydrophobicContact CG-CG1 4.03Å; L574-V593 HydrophobicContact CG-CG2 3.84Å
575Y95.3Very high84.3Confident16 Ų1658.6 Ų58.66%0.06334%0.337CS..EExtended strand (participates in β ladder)trans-104.9123166.4-86.1-55.3000110V180 W182 S183 Q339 M341 V591 A592V180-Y575 HydrophobicContact CB-CE2 4.42Å; V180-Y575 HydrophobicContact CG1-CE2 3.6Å; W182-Y575 WeakPolarHBondContact CA-OH 3.45Å; W182-Y575 HydrophobicContact CD2-CD2 4.04Å; W182-Y575 AromaticContact CD2-CE2 3.58Å; W182-Y575 HydrophobicContact CD2-CE2 3.58Å; W182-Y575 AromaticContact CE3-CD2 3.56Å; W182-Y575 HydrophobicContact CE3-CD2 3.56Å; W182-Y575 AromaticContact CE3-CE2 3.34Å; W182-Y575 HydrophobicContact CE3-CE2 3.34Å; W182-Y575 HydrophobicContact CE3-CG 4.28Å; W182-Y575 AromaticContact CE3-CZ 3.93Å; W182-Y575 HydrophobicContact CG-CE2 4.16Å; W182-Y575 AromaticContact CH2-CD2 3.67Å; W182-Y575 HydrophobicContact CH2-CD2 3.67Å; W182-Y575 HydrophobicContact CH2-CE2 4.23Å; W182-Y575 HydrophobicContact CH2-CG 4.36Å; W182-Y575 HydrophobicContact CZ2-CD2 4.1Å; W182-Y575 HydrophobicContact CZ2-CE2 4.4Å; W182-Y575 AromaticContact CZ3-CD2 3.36Å; W182-Y575 HydrophobicContact CZ3-CD2 3.36Å; W182-Y575 AromaticContact CZ3-CE2 3.7Å; W182-Y575 HydrophobicContact CZ3-CE2 3.7Å; W182-Y575 AromaticContact CZ3-CG 3.87Å; W182-Y575 HydrophobicContact CZ3-CG 3.87Å; S183-Y575 PolarHBondContact N-OH 2.93Å; S183-Y575 PolarHBondContact O-OH 3.44Å; Q339-Y575 HydrophobicContact CG-CD1 4.01Å; Q339-Y575 VanDerWaalsContact NE2-CG 3.34Å; M341-Y575 HydrophobicContact CB-CD1 4.05Å; M341-Y575 HydrophobicContact CB-CE1 3.75Å; M341-Y575 HydrophobicContact CG-CD1 4.46Å; M341-Y575 HydrophobicContact CG-CE1 4.12Å; M341-Y575 HydrophobicContact SD-CE1 4.46Å; Y575-V591 PolarHBondContact O-N 2.82Å; Y575-A592 PolarHBondContact N-O 3.41Å
576L93Very high83.5Confident6 Ų661.5 Ų61.53%0.03134%0.335CS..EExtended strand (participates in β ladder)trans-105.2133.3177.9-52.6-178.8000109.2Q339 S340 V342 I464 V467 F469 L574 P589 C590Q339-L576 CarbonylContact C-O 3.53Å; Q339-L576 WeakPolarHBondContact CA-O 3.36Å; Q339-L576 WeakPolarHBondContact CG-O 3.43Å; S340-L576 PolarHBondContact N-O 3.31Å; S340-L576 PolarHBondContact O-N 3.01Å; V342-L576 HydrophobicContact CG2-CD1 3.62Å; V342-L576 HydrophobicContact CG2-CG 4.2Å; I464-L576 HydrophobicContact CG2-CD1 4.32Å; V467-L576 HydrophobicContact CB-CD1 4.34Å; V467-L576 HydrophobicContact CG1-CD1 4.48Å; V467-L576 HydrophobicContact CG1-CD2 4.39Å; V467-L576 HydrophobicContact CG2-CD1 4.42Å; F469-L576 HydrophobicContact CE2-CD1 3.58Å; F469-L576 HydrophobicContact CE2-CD2 4.3Å; F469-L576 HydrophobicContact CZ-CD1 3.68Å; F469-L576 HydrophobicContact CZ-CD2 3.91Å; F469-L576 HydrophobicContact CZ-CG 4.32Å; L574-L576 HydrophobicContact CB-CD2 4.49Å; L576-P589 CarbonylContact C-O 3.59Å; L576-P589 WeakPolarHBondContact CA-O 3.42Å; L576-C590 HydrophobicContact CD2-CB 4.16Å
577R87.9Confident82.9Confident153 Ų15363.4 Ų63.458%0.57734%0.344SS*.  trans-156.2117.8167.6-176.3178.4-179.2169.10.5107.8Q339 P579 P589 V591Q339-R577 HydrophobicContact CB-CB 4.42Å; R577-P579 WeakPolarHBondContact O-CD 3.31Å; R577-P589 CarbonylContact C-O 3.55Å; R577-P589 PolarHBondContact N-O 3.06Å; R577-V591 HydrophobicContact CB-CG2 3.8Å
578R81.9Confident82.7Confident39 Ų3961.9 Ų61.915%0.14734%0.337CS..PPolyproline II helixtrans-72124.6171.5-170169.5-71.8-755.5108.4G466 D536G466-R578 PolarHBondContact O-NH2 3.4Å; D536-R578 IonicContact OD2-NH2 3.86Å
579P76.6Confident82.6Confident44 Ų4461.7 Ų61.729%0.28633%0.334SS..PPolyproline II helixtrans-79.1162.8176.930.8-32.1000111.5R577 Q587R577-P579 WeakPolarHBondContact O-CD 3.31Å; P579-Q587 HydrophobicContact CG-CB 3.43Å; P579-Q587 VanDerWaalsContact CG-CB 3.43Å; P579-Q587 HydrophobicContact CG-CG 4.28Å
580A70.1Confident82.5Confident72 Ų7261.8 Ų61.860%0.59533%0.334SS*.PPolyproline II helixtrans-63.6143.8177.100000111.4D582A580-D582 VanDerWaalsContact C-N 3.25Å; A580-D582 PolarHBondContact O-N 3.45Å
581V64.3Low82.2Confident142 Ų14264.6 Ų64.686%0.86135%0.352SS*.SBendtrans-78.469.1-175.6-167.70000110.4
582D56Low82Confident154 Ų15464.5 Ų64.582%0.82435%0.352SS*.  trans-117.417.5-174.9-79.2-28.3000114.1A580A580-D582 VanDerWaalsContact C-N 3.25Å; A580-D582 PolarHBondContact O-N 3.45Å
583G58Low81.9Confident54 Ų5464.5 Ų64.556%0.55735%0.352SS*.  trans-149163-176.100000116.3
584V57.3Low81.9Confident160 Ų16063.9 Ų63.997%0.9735%0.35SS*.SBendtrans-80-21176.8-176.60000111.9
585E64.9Low81.9Confident170 Ų17063.9 Ų63.979%0.79435%0.35SS*.SBendtrans-95.9137.3-178.7-66.5-174171.100112Q587E585-Q587 PolarHBondContact O-N 3.46Å
586R76.7Confident82Confident101 Ų10163.3 Ų63.338%0.38135%0.348SS..PPolyproline II helixtrans-65.2120.9177.3176.1167.3171.8-98.5-7.3110.1F327 D536 G553F327-R586 VanDerWaalsContact CG-NE 3.27Å; F327-R586 VanDerWaalsContact CZ-CZ 3.49Å; D536-R586 IonicContact OD1-CZ 2.78Å; D536-R586 IonicContact OD1-NE 3.74Å; D536-R586 IonicContact OD1-NH2 2.79Å; D536-R586 PolarHBondContact OD1-NH2 3.19Å; G553-R586 VanDerWaalsContact C-NH1 3.35Å; G553-R586 PolarHBondContact O-NH1 3.07Å; G553-R586 PolarHBondContact O-NH2 3.19Å
587Q82.1Confident82.2Confident107 Ų10765.8 Ų65.850%0.536%0.357SS..PPolyproline II helixtrans-96.8127.7172.5-61.2-176.9000109.8P579 E585P579-Q587 HydrophobicContact CG-CB 3.43Å; P579-Q587 VanDerWaalsContact CG-CB 3.43Å; P579-Q587 HydrophobicContact CG-CG 4.28Å; E585-Q587 PolarHBondContact O-N 3.46Å
588S90.9Very high82.6Confident35 Ų3558.6 Ų58.625%0.24533%0.33CS..PPolyproline II helixtrans-65.4130178.5-179.80000110.4C590S588-C590 PolarHBondContact O-N 3.35Å; S588-C590 PolarHBondContact OG-N 2.79Å
589P92.5Very high82.6Confident0 Ų059.6 Ų59.60%034%0.339CS..SBendtrans-71.9-10.217431.1-36000112.8V467 D536 L576 R577V467-P589 HydrophobicContact CB-CG 4.41Å; V467-P589 HydrophobicContact CG1-CB 4.21Å; V467-P589 HydrophobicContact CG1-CG 3.7Å; V467-P589 HydrophobicContact CG2-CB 3.68Å; V467-P589 HydrophobicContact CG2-CG 4.03Å; D536-P589 HydrophobicContact CB-CG 3.72Å; L576-P589 CarbonylContact C-O 3.59Å; L576-P589 WeakPolarHBondContact CA-O 3.42Å; R577-P589 CarbonylContact C-O 3.55Å; R577-P589 PolarHBondContact N-O 3.06Å
590C94.4Very high82.9Confident5 Ų560.4 Ų60.43%0.03434%0.342CS..EExtended strand (participates in β ladder)trans-91.5105.3174.4-176.90000109.9V537 V555 L576 S588 V593V537-C590 HydrophobicContact CG2-CB 3.77Å; V555-C590 HydrophobicContact CB-CB 4.32Å; V555-C590 HydrophobicContact CG2-CB 3.95Å; L576-C590 HydrophobicContact CD2-CB 4.16Å; S588-C590 PolarHBondContact O-N 3.35Å; S588-C590 PolarHBondContact OG-N 2.79Å; C590-V593 VanDerWaalsContact SG-CG2 3.52Å
591V92.6Very high83.7Confident62 Ų6259.7 Ų59.738%0.37633%0.328SS..EExtended strand (participates in β ladder)trans-84-38.1-170.7179.80000112.4G175 S176 Y575 R577G175-V591 WeakPolarHBondContact CA-O 3.36Å; S176-V591 PolarHBondContact N-O 3.22Å; Y575-V591 PolarHBondContact O-N 2.82Å; R577-V591 HydrophobicContact CB-CG2 3.8Å
592A94.7Very high84.8Confident3 Ų354.9 Ų54.93%0.02530%0.297CS..EExtended strand (participates in β ladder)trans-153.8147.3-177.300000111.4F174 A177 W182 L574 Y575F174-A592 WeakPolarHBondContact O-CA 3.32Å; A177-A592 HydrophobicContact CB-CB 4.14Å; W182-A592 HydrophobicContact CH2-CB 4.32Å; W182-A592 HydrophobicContact CZ2-CB 4.47Å; L574-A592 CarbonylContact C-O 3.56Å; L574-A592 WeakPolarHBondContact CA-O 3.44Å; Y575-A592 PolarHBondContact N-O 3.41Å
593V96.9Very high86.6Confident0 Ų048.7 Ų48.70%026%0.264CS..EExtended strand (participates in β ladder)trans-136.1141.2173.2-175.20000109.6S173 F174 V548 V555 V557 R573 L574 C590S173-V593 CarbonylContact C-O 3.38Å; S173-V593 WeakPolarHBondContact CA-O 3.5Å; F174-V593 HydrophobicContact CB-CB 4.28Å; F174-V593 HydrophobicContact CD1-CG2 4.37Å; F174-V593 PolarHBondContact N-O 3.24Å; F174-V593 PolarHBondContact O-N 3.07Å; V548-V593 HydrophobicContact CG1-CB 4.08Å; V548-V593 HydrophobicContact CG1-CG1 4.35Å; V548-V593 HydrophobicContact CG1-CG2 4.21Å; V548-V593 HydrophobicContact CG2-CB 4.03Å; V548-V593 HydrophobicContact CG2-CG1 3.58Å; V555-V593 HydrophobicContact CG1-CG2 4.17Å; V557-V593 HydrophobicContact CG1-CG1 4.26Å; V557-V593 HydrophobicContact CG2-CG1 4.18Å; V557-V593 HydrophobicContact CG2-CG2 4.38Å; R573-V593 CarbonylContact O-C 3.3Å; R573-V593 WeakPolarHBondContact O-CA 3.42Å; L574-V593 HydrophobicContact CB-CG2 4.33Å; L574-V593 HydrophobicContact CD2-CG2 3.82Å; L574-V593 HydrophobicContact CG-CB 4.44Å; L574-V593 HydrophobicContact CG-CG1 4.03Å; L574-V593 HydrophobicContact CG-CG2 3.84Å; C590-V593 VanDerWaalsContact SG-CG2 3.52Å
594Q96.4Very high88.5Confident19 Ų1948.3 Ų48.39%0.08924%0.244CC..EExtended strand (participates in β ladder)trans-127.5139.2166.8-80.1-178.13.500110.7V170 T172 A177 W182 A572 R573 V596V170-Q594 HydrophobicContact CG1-CB 4.28Å; V170-Q594 HydrophobicContact CG1-CG 3.96Å; T172-Q594 WeakPolarHBondContact O-CA 3.41Å; A177-Q594 HydrophobicContact CB-CG 4.09Å; A177-Q594 PolarHBondContact O-NE2 3.18Å; A177-Q594 VanDerWaalsContact O-NE2 3.12Å; W182-Q594 HydrophobicContact CH2-CB 4.49Å; W182-Q594 HydrophobicContact CZ2-CB 3.9Å; W182-Q594 HydrophobicContact CZ2-CG 3.61Å; W182-Q594 VanDerWaalsContact NE1-NE2 3.16Å; A572-Q594 CarbonylContact C-O 3.6Å; A572-Q594 WeakPolarHBondContact CA-O 3.45Å; R573-Q594 HydrophobicContact CG-CB 4.11Å; R573-Q594 PolarHBondContact N-O 2.89Å; R573-Q594 PolarHBondContact O-N 3.45Å; Q594-V596 HydrophobicContact CB-CG2 4.11Å
595V97.7Very high90.7Very high0 Ų040.4 Ų40.40%019%0.192CC..EExtended strand (participates in β ladder)trans-102.4128.4164.3-175.20000107.9V171 T172 Y546 V548 T570 F571 A572V171-V595 HydrophobicContact CG2-CB 3.96Å; V171-V595 HydrophobicContact CG2-CG1 3.71Å; V171-V595 VanDerWaalsContact CG2-O 3.3Å; V171-V595 WeakPolarHBondContact CG2-O 3.34Å; V171-V595 PolarHBondContact N-O 3.04Å; T172-V595 PolarHBondContact N-O 3.35Å; T172-V595 PolarHBondContact O-N 3.45Å; Y546-V595 HydrophobicContact CD1-CG1 4.5Å; Y546-V595 HydrophobicContact CD2-CB 4.47Å; Y546-V595 HydrophobicContact CD2-CG1 4.15Å; Y546-V595 HydrophobicContact CG-CG1 3.89Å; V548-V595 HydrophobicContact CG2-CG2 4.08Å; T570-V595 HydrophobicContact CG2-CG1 4.08Å; F571-V595 CarbonylContact O-C 3.59Å; F571-V595 WeakPolarHBondContact O-CA 3.34Å; A572-V595 HydrophobicContact CB-CG2 4.29Å
596V97.3Very high92.7Very high4 Ų430.4 Ų30.42%0.02415%0.146CC..EExtended strand (participates in β ladder)trans-130.6141.5-169.8-169.70000109.5E169 V170 T570 F571 Q594E169-V596 CarbonylContact O-C 3.55Å; E169-V596 WeakPolarHBondContact O-CA 3.41Å; V170-V596 HydrophobicContact CG2-CG2 4.27Å; T570-V596 CarbonylContact C-O 3.6Å; T570-V596 WeakPolarHBondContact CA-O 3.49Å; T570-V596 WeakPolarHBondContact CB-O 3.49Å; F571-V596 HydrophobicContact CD1-CB 4.45Å; F571-V596 WeakPolarHBondContact CD1-O 3.49Å; F571-V596 HydrophobicContact CE1-CB 3.88Å; F571-V596 HydrophobicContact CE1-CG1 4.08Å; F571-V596 HydrophobicContact CE2-CB 4.36Å; F571-V596 HydrophobicContact CZ-CB 3.82Å; F571-V596 HydrophobicContact CZ-CG1 4.07Å; F571-V596 HydrophobicContact CZ-CG2 4.48Å; F571-V596 PolarHBondContact N-O 3.33Å; F571-V596 PolarHBondContact O-N 3.07Å; Q594-V596 HydrophobicContact CB-CG2 4.11Å
597R97.8Very high94.1Very high57 Ų5724.5 Ų24.522%0.21513%0.126CC..EExtended strand (participates in β ladder)trans-73.4137.5172.6-68.9-170.5-178.5-811.1111.7N166 G168 E169 V171 G569 T570N166-R597 WeakPolarHBondContact ND2-CD 3.32Å; N166-R597 PolarHBondContact ND2-NE 2.86Å; N166-R597 VanDerWaalsContact O-CB 3.27Å; N166-R597 WeakPolarHBondContact O-CB 3.38Å; N166-R597 WeakPolarHBondContact O-CD 3.49Å; G168-R597 WeakPolarHBondContact CA-O 2.96Å; G168-R597 PolarHBondContact N-O 3.49Å; E169-R597 HydrophobicContact CB-CB 4.35Å; E169-R597 HydrophobicContact CB-CG 4.29Å; E169-R597 PolarHBondContact O-N 2.97Å; E169-R597 VanDerWaalsContact OE2-CD 3.23Å; E169-R597 WeakPolarHBondContact OE2-CD 3.25Å; E169-R597 IonicContact OE2-NE 3.72Å; E169-R597 PolarHBondContact OE2-NE 3.09Å; V171-R597 HydrophobicContact CG1-CG 3.77Å; G569-R597 WeakPolarHBondContact O-CA 3.05Å; T570-R597 HydrophobicContact CG2-CG 3.93Å
598I95.4Very high95.1Very high2 Ų217 Ų171%0.019%0.092CC..  trans-81.70175.8-16665.4000112.5Y161 R164 D362 L363 V366 L562 G569 F571Y161-I598 HydrophobicContact CE2-CG2 4.27Å; R164-I598 WeakPolarHBondContact CD-O 3.48Å; R164-I598 PolarHBondContact NE-O 2.94Å; R164-I598 PolarHBondContact NE-OXT 2.91Å; R164-I598 PolarHBondContact NH2-OXT 3.16Å; D362-I598 HydrophobicContact CB-CD1 4.39Å; D362-I598 HydrophobicContact CB-CG1 4.21Å; L363-I598 HydrophobicContact CB-CD1 4.18Å; L363-I598 HydrophobicContact CD1-CD1 4.33Å; V366-I598 HydrophobicContact CG2-CD1 3.95Å; L562-I598 HydrophobicContact CD1-CB 3.8Å; L562-I598 HydrophobicContact CD1-CD1 4.37Å; L562-I598 HydrophobicContact CD1-CG1 3.89Å; L562-I598 HydrophobicContact CD1-CG2 3.9Å; L562-I598 HydrophobicContact CG-CB 4.49Å; L562-I598 HydrophobicContact CG-CG1 4.49Å; L562-I598 HydrophobicContact CG-CG2 4.1Å; L562-I598 VanDerWaalsContact O-CG2 3.31Å; L562-I598 WeakPolarHBondContact O-CG2 3.29Å; G569-I598 PolarHBondContact O-N 2.8Å; F571-I598 HydrophobicContact CD1-CB 4.14Å; F571-I598 HydrophobicContact CD1-CD1 3.94Å; F571-I598 HydrophobicContact CE1-CD1 3.89Å

Retrieved 598 of 598 residues in 2431.6 ms (Link to these results)