A0A5K4F758_SCHMA Loading...

1-phosphatidylinositol-5-phosphate 4-kinase

AlphaFold DB , UniProt , Accession A0A5K4F758, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 530 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
1M92.5Very high90.7Very high89 Ų8934 Ų3444%0.43818%0.18SC..  0-100.20-48.3-166.778.300110.1G3 I4 N5 F75 T76 Q79M1-G3 PolarHBondContact O-N 2.85Å; M1-G3 VanDerWaalsContact O-N 3.12Å; M1-I4 PolarHBondContact O-N 3.17Å; M1-N5 PolarHBondContact O-N 2.88Å; M1-F75 WeakPolarHBondContact CG-O 3.42Å; M1-T76 WeakPolarHBondContact CE-O 3.47Å; M1-Q79 HydrophobicContact SD-CB 4.19Å; M1-Q79 HydrophobicContact SD-CG 4.3Å
2W92.4Very high89.7Confident62 Ų6238.5 Ų38.524%0.23520%0.204CC..Hα-helixtrans-46-49.9-172-173.493.1000115.1I4 N5 Y6 V31 V33 M43 F47W2-I4 VanDerWaalsContact C-N 3.34Å; W2-I4 PolarHBondContact O-N 3.33Å; W2-N5 WeakPolarHBondContact O-CB 3.44Å; W2-N5 PolarHBondContact O-N 3.37Å; W2-N5 VanDerWaalsContact O-N 3.1Å; W2-Y6 AromaticContact CH2-CD2 3.89Å; W2-Y6 HydrophobicContact CH2-CD2 3.89Å; W2-Y6 AromaticContact CH2-CG 3.97Å; W2-Y6 HydrophobicContact CH2-CG 3.97Å; W2-Y6 HydrophobicContact CZ2-CD2 4.36Å; W2-Y6 HydrophobicContact CZ3-CD2 4.49Å; W2-Y6 HydrophobicContact CZ3-CG 4.12Å; W2-Y6 PolarHBondContact O-N 3.39Å; W2-V31 HydrophobicContact CH2-CG1 4.09Å; W2-V31 HydrophobicContact CH2-CG2 4.42Å; W2-V31 HydrophobicContact CZ3-CG1 3.83Å; W2-V33 HydrophobicContact CH2-CG2 3.58Å; W2-V33 HydrophobicContact CZ2-CG2 4.07Å; W2-V33 HydrophobicContact CZ3-CG2 4.09Å; W2-M43 HydrophobicContact CB-CE 3.72Å; W2-M43 HydrophobicContact CB-SD 4.17Å; W2-M43 HydrophobicContact CD2-CE 4.28Å; W2-M43 HydrophobicContact CG-CE 3.74Å; W2-M43 HydrophobicContact CG-SD 4.47Å; W2-F47 HydrophobicContact CD2-CE2 4.07Å; W2-F47 HydrophobicContact CD2-CZ 4.02Å; W2-F47 AromaticContact CE3-CE2 3.54Å; W2-F47 HydrophobicContact CE3-CE2 3.54Å; W2-F47 AromaticContact CE3-CZ 3.96Å; W2-F47 HydrophobicContact CE3-CZ 3.96Å; W2-F47 HydrophobicContact CH2-CE2 4.3Å; W2-F47 HydrophobicContact CH2-CZ 4.47Å; W2-F47 HydrophobicContact CZ2-CZ 4.49Å; W2-F47 AromaticContact CZ3-CE2 3.68Å; W2-F47 HydrophobicContact CZ3-CE2 3.68Å; W2-F47 HydrophobicContact CZ3-CZ 4.21Å
3G93.8Very high88.8Confident9 Ų948.3 Ų48.39%0.09325%0.248CC..Hα-helixtrans-64.1-33-17900000114.8M1 S7 F49M1-G3 PolarHBondContact O-N 2.85Å; M1-G3 VanDerWaalsContact O-N 3.12Å; G3-S7 VanDerWaalsContact O-CB 3.26Å; G3-S7 WeakPolarHBondContact O-CB 3.4Å; G3-S7 PolarHBondContact O-N 3.43Å; G3-F49 WeakPolarHBondContact O-CE1 3.49Å; G3-F49 WeakPolarHBondContact O-CZ 3.45Å
4I93.5Very high88.2Confident12 Ų1247.9 Ų47.96%0.06225%0.249CC..Hα-helixtrans-69.9-39.5173.7-66.4172.5000109.7M1 W2 S7 F8 Y71 F75M1-I4 PolarHBondContact O-N 3.17Å; W2-I4 VanDerWaalsContact C-N 3.34Å; W2-I4 PolarHBondContact O-N 3.33Å; I4-S7 PolarHBondContact O-N 3.06Å; I4-F8 HydrophobicContact CG2-CD2 4.04Å; I4-F8 HydrophobicContact CG2-CE2 4.08Å; I4-F8 WeakPolarHBondContact O-CB 3.49Å; I4-F8 VanDerWaalsContact O-CD2 3.26Å; I4-F8 WeakPolarHBondContact O-CD2 3.47Å; I4-F8 PolarHBondContact O-N 3.33Å; I4-Y71 HydrophobicContact CG2-CE1 4.28Å; I4-F75 HydrophobicContact CD1-CB 3.78Å; I4-F75 HydrophobicContact CD1-CD1 3.87Å; I4-F75 HydrophobicContact CD1-CD2 4.16Å; I4-F75 HydrophobicContact CD1-CG 3.66Å; I4-F75 HydrophobicContact CG2-CB 4.34Å
5N92.5Very high87.4Confident40 Ų4057.1 Ų57.121%0.21429%0.286CS..Hα-helixtrans-62.1-47.6174.3-16951.1000111.7M1 W2 F8 S9 W72 T76M1-N5 PolarHBondContact O-N 2.88Å; W2-N5 WeakPolarHBondContact O-CB 3.44Å; W2-N5 PolarHBondContact O-N 3.37Å; W2-N5 VanDerWaalsContact O-N 3.1Å; N5-F8 PolarHBondContact O-N 3.24Å; N5-S9 PolarHBondContact O-N 3.29Å; N5-S9 PolarHBondContact O-OG 3.16Å; N5-S9 VanDerWaalsContact O-OG 3.13Å; N5-W72 WeakPolarHBondContact OD1-CZ2 3.08Å; N5-W72 PolarHBondContact OD1-NE1 3.25Å; N5-T76 HydrophobicContact CB-CG2 4.23Å
6Y91.7Very high86.5Confident53 Ų5360.2 Ų60.221%0.20830%0.299CS..Hα-helixtrans-57.9-48.9174.5175.5-94.7000112.1W2 F8 S9 A10 M29 V31 E428W2-Y6 AromaticContact CH2-CD2 3.89Å; W2-Y6 HydrophobicContact CH2-CD2 3.89Å; W2-Y6 AromaticContact CH2-CG 3.97Å; W2-Y6 HydrophobicContact CH2-CG 3.97Å; W2-Y6 HydrophobicContact CZ2-CD2 4.36Å; W2-Y6 HydrophobicContact CZ3-CD2 4.49Å; W2-Y6 HydrophobicContact CZ3-CG 4.12Å; W2-Y6 PolarHBondContact O-N 3.39Å; Y6-F8 VanDerWaalsContact C-N 3.35Å; Y6-F8 PolarHBondContact O-N 3.22Å; Y6-S9 PolarHBondContact O-N 3.01Å; Y6-A10 WeakPolarHBondContact O-CB 3.36Å; Y6-A10 PolarHBondContact O-N 2.97Å; Y6-M29 HydrophobicContact CE1-CG 4.29Å; Y6-M29 HydrophobicContact CE1-SD 4.11Å; Y6-V31 HydrophobicContact CD1-CG1 3.91Å; Y6-V31 HydrophobicContact CE1-CB 3.89Å; Y6-V31 HydrophobicContact CE1-CG1 3.76Å; Y6-V31 HydrophobicContact CE1-CG2 4.41Å; Y6-V31 HydrophobicContact CE2-CG2 4.32Å; Y6-V31 HydrophobicContact CG-CG1 4.47Å; Y6-E428 PolarHBondContact OH-OE1 2.98Å
7S92.2Very high86.1Confident0 Ų062.4 Ų62.40%030%0.303CS..Hα-helixtrans-54.9-49.1177.7154.10000111.8G3 I4 S9 A10 L11 E51G3-S7 VanDerWaalsContact O-CB 3.26Å; G3-S7 WeakPolarHBondContact O-CB 3.4Å; G3-S7 PolarHBondContact O-N 3.43Å; I4-S7 PolarHBondContact O-N 3.06Å; S7-S9 VanDerWaalsContact C-N 3.34Å; S7-S9 PolarHBondContact O-N 3.21Å; S7-A10 PolarHBondContact O-N 2.59Å; S7-L11 WeakPolarHBondContact O-CB 3.23Å; S7-L11 VanDerWaalsContact O-CG 3.26Å; S7-L11 WeakPolarHBondContact O-CG 3.48Å; S7-L11 PolarHBondContact O-N 3.3Å; S7-E51 VanDerWaalsContact CB-OE2 3.27Å; S7-E51 WeakPolarHBondContact CB-OE2 3.29Å; S7-E51 PolarHBondContact OG-OE2 3.11Å
8F89.9Confident85.6Confident10 Ų1064.8 Ų64.84%0.04434%0.335CS..Hα-helixtrans-66.6-37.1-178.4-86.2-122.3000111.8I4 N5 Y6 N12 K68 Y71 W72I4-F8 HydrophobicContact CG2-CD2 4.04Å; I4-F8 HydrophobicContact CG2-CE2 4.08Å; I4-F8 WeakPolarHBondContact O-CB 3.49Å; I4-F8 VanDerWaalsContact O-CD2 3.26Å; I4-F8 WeakPolarHBondContact O-CD2 3.47Å; I4-F8 PolarHBondContact O-N 3.33Å; N5-F8 PolarHBondContact O-N 3.24Å; Y6-F8 VanDerWaalsContact C-N 3.35Å; Y6-F8 PolarHBondContact O-N 3.22Å; F8-N12 PolarHBondContact O-N 3.01Å; F8-N12 PolarHBondContact O-ND2 3.23Å; F8-N12 VanDerWaalsContact O-ND2 3.11Å; F8-N12 PolarHBondContact O-OD1 3.3Å; F8-N12 VanDerWaalsContact O-OD1 3.08Å; F8-K68 HydrophobicContact CD1-CG 3.84Å; F8-K68 HydrophobicContact CE1-CB 4.49Å; F8-K68 HydrophobicContact CE1-CG 3.55Å; F8-K68 VanDerWaalsContact CE1-O 3.31Å; F8-K68 WeakPolarHBondContact CE1-O 3.14Å; F8-Y71 HydrophobicContact CE1-CD1 4.21Å; F8-Y71 AromaticContact CE2-CD1 3.88Å; F8-Y71 HydrophobicContact CE2-CD1 3.88Å; F8-Y71 AromaticContact CE2-CE1 3.9Å; F8-Y71 HydrophobicContact CE2-CE1 3.9Å; F8-Y71 AromaticContact CZ-CD1 3.35Å; F8-Y71 HydrophobicContact CZ-CD1 3.35Å; F8-Y71 AromaticContact CZ-CE1 3.84Å; F8-Y71 HydrophobicContact CZ-CE1 3.84Å; F8-Y71 HydrophobicContact CZ-CG 4.33Å; F8-W72 HydrophobicContact CD1-CB 3.81Å; F8-W72 AromaticContact CD1-CD1 4Å; F8-W72 HydrophobicContact CD1-CG 4.24Å; F8-W72 HydrophobicContact CE1-CB 3.95Å; F8-W72 AromaticContact CG-CD1 3.94Å
9S87.6Confident85.7Confident45 Ų4568.7 Ų68.732%0.31536%0.356SS..Hα-helixtrans-62.8-49.6172.2-62.60000112N5 Y6 S7 L11 N12 H13N5-S9 PolarHBondContact O-N 3.29Å; N5-S9 PolarHBondContact O-OG 3.16Å; N5-S9 VanDerWaalsContact O-OG 3.13Å; Y6-S9 PolarHBondContact O-N 3.01Å; S7-S9 VanDerWaalsContact C-N 3.34Å; S7-S9 PolarHBondContact O-N 3.21Å; S9-L11 PolarHBondContact O-N 2.87Å; S9-N12 WeakPolarHBondContact O-CB 3.45Å; S9-N12 PolarHBondContact O-N 3.41Å; S9-H13 PolarHBondContact O-CD2 3.04Å
10A86.8Confident85.9Confident30 Ų3067.2 Ų67.225%0.24835%0.348CS..Hα-helixtrans-61.2-44.417900000112.4Y6 S7 N12 H13 M29Y6-A10 WeakPolarHBondContact O-CB 3.36Å; Y6-A10 PolarHBondContact O-N 2.97Å; S7-A10 PolarHBondContact O-N 2.59Å; A10-N12 PolarHBondContact O-N 3.31Å; A10-H13 PolarHBondContact O-N 3.1Å; A10-M29 HydrophobicContact CB-SD 3.59Å; A10-M29 VanDerWaalsContact CB-SD 3.59Å
11L84.8Confident86.2Confident24 Ų2468.3 Ų68.313%0.12635%0.354CS..Hα-helixtrans-68.1-18.8-179.7-68.4172.6000113.8S7 S9 H13 V14 M29 P54 M55S7-L11 WeakPolarHBondContact O-CB 3.23Å; S7-L11 VanDerWaalsContact O-CG 3.26Å; S7-L11 WeakPolarHBondContact O-CG 3.48Å; S7-L11 PolarHBondContact O-N 3.3Å; S9-L11 PolarHBondContact O-N 2.87Å; L11-H13 PolarHBondContact O-N 3.36Å; L11-V14 HydrophobicContact CD2-CG2 4.28Å; L11-V14 PolarHBondContact O-N 3.3Å; L11-M29 HydrophobicContact CG-CE 4.39Å; L11-P54 HydrophobicContact CD1-CB 4.16Å; L11-P54 HydrophobicContact CD2-CB 4.03Å; L11-M55 HydrophobicContact CD2-SD 4.17Å
12N79.1Confident86.2Confident88 Ų8870.3 Ų70.347%0.47136%0.36SS..THydrogen-bonded Turntrans-65-26.2173.1-66.3-27.4000113.1F8 S9 A10 K68F8-N12 PolarHBondContact O-N 3.01Å; F8-N12 PolarHBondContact O-ND2 3.23Å; F8-N12 VanDerWaalsContact O-ND2 3.11Å; F8-N12 PolarHBondContact O-OD1 3.3Å; F8-N12 VanDerWaalsContact O-OD1 3.08Å; S9-N12 WeakPolarHBondContact O-CB 3.45Å; S9-N12 PolarHBondContact O-N 3.41Å; A10-N12 PolarHBondContact O-N 3.31Å; N12-K68 VanDerWaalsContact OD1-CE 3.32Å; N12-K68 WeakPolarHBondContact OD1-CE 3.39Å; N12-K68 PolarHBondContact OD1-NZ 3.27Å
13H77.8Confident86.3Confident166 Ų16671.2 Ų71.277%0.76937%0.37SS*.THydrogen-bonded Turntrans-90.6-8.8-179.5-56.6-68.3000112.8S9 A10 L11S9-H13 PolarHBondContact O-CD2 3.04Å; A10-H13 PolarHBondContact O-N 3.1Å; L11-H13 PolarHBondContact O-N 3.36Å
14V80Confident86.4Confident43 Ų4371.3 Ų71.326%0.26137%0.368SS..SBendtrans-82.3120.9178.8-178.70000109.8L11 Q16 M55 I426L11-V14 HydrophobicContact CD2-CG2 4.28Å; L11-V14 PolarHBondContact O-N 3.3Å; V14-Q16 PolarHBondContact O-N 3.45Å; V14-Q16 VanDerWaalsContact O-N 3.15Å; V14-M55 HydrophobicContact CG1-CE 4.38Å; V14-M55 HydrophobicContact CG1-SD 3.93Å; V14-I426 HydrophobicContact CG2-CG2 4.27Å
15K76.3Confident86.5Confident185 Ų18571.9 Ų71.980%0.80437%0.37SS*.PPolyproline II helixtrans-60.2118.1176.7-175.5175.9-179177.30110.5R17K15-R17 PolarHBondContact O-N 2.97Å
16Q72.8Confident86.6Confident107 Ų10776.1 Ų76.150%0.539%0.387SS..PPolyproline II helixtrans-57.9122.7176.8-173.766.134.100110.4V14V14-Q16 PolarHBondContact O-N 3.45Å; V14-Q16 VanDerWaalsContact O-N 3.15Å
17R79.9Confident86.8Confident97 Ų9774 Ų7437%0.36638%0.38SS..PPolyproline II helixtrans-96.7149.5172.2-72.5178.4-77.3152.43.7109.7K15 L21 D24K15-R17 PolarHBondContact O-N 2.97Å; R17-L21 VanDerWaalsContact NH1-CD1 3.35Å; R17-D24 IonicContact CZ-OD1 2.93Å; R17-D24 IonicContact CZ-OD2 3.11Å; R17-D24 IonicContact NH1-OD1 3.46Å; R17-D24 PolarHBondContact NH1-OD1 3.16Å; R17-D24 IonicContact NH1-OD2 3.98Å; R17-D24 PolarHBondContact NH1-OD2 2.98Å; R17-D24 IonicContact NH2-OD1 2.61Å; R17-D24 PolarHBondContact NH2-OD1 3.35Å; R17-D24 IonicContact NH2-OD2 3.76Å; R17-D24 PolarHBondContact NH2-OD2 3.2Å
18A78Confident87Confident107 Ų10775.7 Ų75.788%0.88439%0.387SS*.SBendtrans-77.5-25.8-178.600000113.4
19L86.1Confident87.2Confident139 Ų13976 Ų7673%0.72839%0.388SS*.SBendtrans-129.8146.3178.5-62.5174.7000109.1
20L91.6Very high87.5Confident38 Ų3876.9 Ų76.920%0.19939%0.387CS..  trans-77.3141.2167-61.6177.6000109.2D24 F25 M55 V56 Y122L20-D24 WeakPolarHBondContact CA-OD2 3.41Å; L20-D24 HydrophobicContact CD2-CB 4.39Å; L20-F25 HydrophobicContact CB-CE2 4.18Å; L20-F25 HydrophobicContact CD1-CE2 4.32Å; L20-F25 HydrophobicContact CD1-CZ 4.06Å; L20-M55 HydrophobicContact CD2-CB 4Å; L20-V56 HydrophobicContact CD1-CB 4.32Å; L20-V56 HydrophobicContact CD1-CG1 4.25Å; L20-V56 HydrophobicContact CD1-CG2 4.16Å; L20-Y122 HydrophobicContact CD1-CD1 4.31Å; L20-Y122 HydrophobicContact CD1-CD2 4.09Å; L20-Y122 HydrophobicContact CD1-CE1 3.8Å; L20-Y122 HydrophobicContact CD1-CE2 3.57Å; L20-Y122 HydrophobicContact CD1-CG 4.44Å
21L92.1Very high87.8Confident90 Ų9076.4 Ų76.447%0.47138%0.381SS..  trans-93.3161.1169.5-58.2-175.4000109.9R17 D23 D24R17-L21 VanDerWaalsContact NH1-CD1 3.35Å; L21-D23 PolarHBondContact O-N 3.04Å; L21-D24 PolarHBondContact N-OD2 3.31Å; L21-D24 WeakPolarHBondContact O-CB 3.45Å; L21-D24 PolarHBondContact O-N 3.33Å
22K92.4Very high88.2Confident132 Ų13279.3 Ų79.357%0.57439%0.392SS*.G310 helixtrans-57.5-33.6177-171.7160.5-170.7130.80112.6D24 F25 E119K22-D24 PolarHBondContact O-N 3.31Å; K22-F25 PolarHBondContact O-N 3.12Å; K22-E119 IonicContact NZ-OE1 3.51Å; K22-E119 IonicContact NZ-OE2 3.32Å; K22-E119 PolarHBondContact NZ-OE2 2.84Å
23D93.7Very high88.7Confident81 Ų8176.1 Ų76.143%0.43338%0.376SS..G310 helixtrans-64.6-26.5177-60.6-27.1000113.1L21 F25 K26 A27 I424L21-D23 PolarHBondContact O-N 3.04Å; D23-F25 PolarHBondContact O-N 3.26Å; D23-K26 CarbonylContact O-C 3.57Å; D23-K26 PolarHBondContact O-N 2.89Å; D23-A27 WeakPolarHBondContact O-CB 3.48Å; D23-A27 PolarHBondContact O-N 2.66Å; D23-I424 HydrophobicContact CB-CD1 3.75Å
24D95.1Very high89.1Confident10 Ų1072.2 Ų72.25%0.05336%0.36CS..G310 helixtrans-66.1-22.4179.3-63.2-39.5000112.2R17 L20 L21 K22 K26 M55 V56R17-D24 IonicContact CZ-OD1 2.93Å; R17-D24 IonicContact CZ-OD2 3.11Å; R17-D24 IonicContact NH1-OD1 3.46Å; R17-D24 PolarHBondContact NH1-OD1 3.16Å; R17-D24 IonicContact NH1-OD2 3.98Å; R17-D24 PolarHBondContact NH1-OD2 2.98Å; R17-D24 IonicContact NH2-OD1 2.61Å; R17-D24 PolarHBondContact NH2-OD1 3.35Å; R17-D24 IonicContact NH2-OD2 3.76Å; R17-D24 PolarHBondContact NH2-OD2 3.2Å; L20-D24 WeakPolarHBondContact CA-OD2 3.41Å; L20-D24 HydrophobicContact CD2-CB 4.39Å; L21-D24 PolarHBondContact N-OD2 3.31Å; L21-D24 WeakPolarHBondContact O-CB 3.45Å; L21-D24 PolarHBondContact O-N 3.33Å; K22-D24 PolarHBondContact O-N 3.31Å; D24-K26 VanDerWaalsContact C-N 3.32Å; D24-M55 HydrophobicContact CB-CB 4.35Å; D24-V56 HydrophobicContact CB-CG2 4.15Å; D24-V56 VanDerWaalsContact O-CG2 3.29Å; D24-V56 WeakPolarHBondContact O-CG2 3.23Å
25F96.5Very high89.1Confident25 Ų2571.7 Ų71.711%0.1136%0.356CS..G310 helixtrans-82.4-6174.6-64.6-93.2000113.8L20 K22 D23 C53 V56 L118 E119 Y122L20-F25 HydrophobicContact CB-CE2 4.18Å; L20-F25 HydrophobicContact CD1-CE2 4.32Å; L20-F25 HydrophobicContact CD1-CZ 4.06Å; K22-F25 PolarHBondContact O-N 3.12Å; D23-F25 PolarHBondContact O-N 3.26Å; F25-C53 VanDerWaalsContact C-SG 3.55Å; F25-C53 PolarHBondContact O-SG 2.72Å; F25-V56 HydrophobicContact CD1-CG1 4.1Å; F25-V56 HydrophobicContact CD1-CG2 3.86Å; F25-V56 HydrophobicContact CD2-CG2 4.26Å; F25-V56 HydrophobicContact CE1-CB 4.46Å; F25-V56 HydrophobicContact CE1-CG1 3.61Å; F25-V56 HydrophobicContact CE1-CG2 3.94Å; F25-V56 HydrophobicContact CE2-CG2 4.34Å; F25-V56 HydrophobicContact CG-CG2 4.01Å; F25-V56 HydrophobicContact CZ-CG1 4.16Å; F25-V56 HydrophobicContact CZ-CG2 4.18Å; F25-L118 HydrophobicContact CD1-CB 4.36Å; F25-L118 HydrophobicContact CD1-CD2 4.04Å; F25-L118 HydrophobicContact CD1-CG 3.84Å; F25-L118 HydrophobicContact CE1-CG 4.19Å; F25-E119 HydrophobicContact CD1-CB 4.11Å; F25-E119 HydrophobicContact CE1-CB 4.26Å; F25-E119 HydrophobicContact CE1-CG 4.48Å; F25-Y122 HydrophobicContact CE1-CD1 4.44Å; F25-Y122 HydrophobicContact CE1-CG 4.19Å; F25-Y122 AromaticContact CZ-CD1 3.83Å; F25-Y122 HydrophobicContact CZ-CD1 3.83Å; F25-Y122 AromaticContact CZ-CG 3.99Å; F25-Y122 HydrophobicContact CZ-CG 3.99Å
26K95.4Very high89Confident129 Ų12970.4 Ų70.456%0.56135%0.353SS*.THydrogen-bonded Turntrans-116.2-16.9172.4-63.8-174174.5-169.20112.9D23 D24D23-K26 CarbonylContact O-C 3.57Å; D23-K26 PolarHBondContact O-N 2.89Å; D24-K26 VanDerWaalsContact C-N 3.32Å
27A95.2Very high88.6Confident7 Ų771.9 Ų71.96%0.05836%0.359CS..  trans-63.1148.5-177.800000112.2D23 C53 I424D23-A27 WeakPolarHBondContact O-CB 3.48Å; D23-A27 PolarHBondContact O-N 2.66Å; A27-C53 WeakPolarHBondContact O-CA 3.28Å; A27-C53 PolarHBondContact O-N 3.36Å; A27-I424 VanDerWaalsContact CA-O 3.31Å; A27-I424 WeakPolarHBondContact CA-O 3.13Å
28Y95.5Very high88Confident37 Ų3772 Ų7215%0.14536%0.363CS..EExtended strand (participates in β ladder)trans-143.4165.9172.564.6-105000111.6K30 K50 E51 I424 I426Y28-K30 HydrophobicContact CD2-CB 4.03Å; Y28-K30 HydrophobicContact CE2-CB 4.03Å; Y28-K50 HydrophobicContact CD2-CD 4.45Å; Y28-K50 VanDerWaalsContact CG-CE 3.47Å; Y28-E51 WeakPolarHBondContact CA-O 3.46Å; Y28-E51 WeakPolarHBondContact CB-O 3.48Å; Y28-I424 PolarHBondContact N-O 3.19Å; Y28-I426 PolarHBondContact O-N 3.35Å
29M94.4Very high87.6Confident17 Ų1769 Ų698%0.08433%0.332CS..EExtended strand (participates in β ladder)trans-126.6119.7171.6173.6170.35200107.7Y6 A10 L11 K50 E51Y6-M29 HydrophobicContact CE1-CG 4.29Å; Y6-M29 HydrophobicContact CE1-SD 4.11Å; A10-M29 HydrophobicContact CB-SD 3.59Å; A10-M29 VanDerWaalsContact CB-SD 3.59Å; L11-M29 HydrophobicContact CG-CE 4.39Å; M29-K50 CarbonylContact O-C 3.56Å; M29-K50 WeakPolarHBondContact O-CA 3.48Å; M29-E51 HydrophobicContact CE-CB 4.26Å; M29-E51 WeakPolarHBondContact CE-OE2 3.34Å; M29-E51 PolarHBondContact N-O 2.95Å; M29-E51 PolarHBondContact O-N 3.37Å
30K94.7Very high86.9Confident63 Ų6367.7 Ų67.727%0.27432%0.32SS..EExtended strand (participates in β ladder)trans-125.3127.6-175.5178.9-171.1-179.5-1720108.7Y28 F49 K50 D418Y28-K30 HydrophobicContact CD2-CB 4.03Å; Y28-K30 HydrophobicContact CE2-CB 4.03Å; K30-F49 CarbonylContact C-O 3.53Å; K30-F49 WeakPolarHBondContact CA-O 3.19Å; K30-K50 HydrophobicContact CB-CB 4.41Å; K30-K50 HydrophobicContact CB-CG 4.35Å; K30-D418 IonicContact NZ-OD1 2.71Å; K30-D418 PolarHBondContact NZ-OD1 3.46Å; K30-D418 IonicContact NZ-OD2 2.97Å; K30-D418 PolarHBondContact NZ-OD2 2.89Å
31V93.5Very high86.1Confident20 Ų2074.8 Ų74.812%0.12135%0.352CS..EExtended strand (participates in β ladder)trans-126.9136.8174.562.80000110.3W2 Y6 V33 K48 F49W2-V31 HydrophobicContact CH2-CG1 4.09Å; W2-V31 HydrophobicContact CH2-CG2 4.42Å; W2-V31 HydrophobicContact CZ3-CG1 3.83Å; Y6-V31 HydrophobicContact CD1-CG1 3.91Å; Y6-V31 HydrophobicContact CE1-CB 3.89Å; Y6-V31 HydrophobicContact CE1-CG1 3.76Å; Y6-V31 HydrophobicContact CE1-CG2 4.41Å; Y6-V31 HydrophobicContact CE2-CG2 4.32Å; Y6-V31 HydrophobicContact CG-CG1 4.47Å; V31-V33 HydrophobicContact CG2-CG2 4.23Å; V31-K48 CarbonylContact O-C 3.48Å; V31-K48 WeakPolarHBondContact O-CA 3.32Å; V31-F49 HydrophobicContact CG1-CB 3.89Å; V31-F49 HydrophobicContact CG1-CD1 4.14Å; V31-F49 PolarHBondContact N-O 3.46Å; V31-F49 PolarHBondContact O-N 3.05Å
32K92.9Very high85.5Confident84 Ų8476 Ų7637%0.36536%0.359SS..EExtended strand (participates in β ladder)trans-115.4113.9178.6-178.6178-173.1179.80108.3K48 D416K32-K48 HydrophobicContact CB-CG 4.47Å; K32-K48 HydrophobicContact CG-CG 4.23Å; K32-D416 IonicContact NZ-OD2 2.78Å; K32-D416 PolarHBondContact NZ-OD2 2.95Å
33V88.7Confident85.1Confident22 Ų2271.5 Ų71.513%0.13334%0.341CS..EExtended strand (participates in β ladder)trans-104.6128.3-177.2-1790000109.8W2 V31 N35 R46 F47W2-V33 HydrophobicContact CH2-CG2 3.58Å; W2-V33 HydrophobicContact CZ2-CG2 4.07Å; W2-V33 HydrophobicContact CZ3-CG2 4.09Å; V31-V33 HydrophobicContact CG2-CG2 4.23Å; V33-N35 WeakPolarHBondContact CG1-OD1 3.38Å; V33-R46 WeakPolarHBondContact O-CA 3.36Å; V33-F47 HydrophobicContact CB-CD1 4.09Å; V33-F47 HydrophobicContact CB-CD2 4.25Å; V33-F47 HydrophobicContact CB-CE1 3.62Å; V33-F47 HydrophobicContact CB-CE2 3.8Å; V33-F47 HydrophobicContact CB-CG 4.38Å; V33-F47 HydrophobicContact CB-CZ 3.46Å; V33-F47 VanDerWaalsContact CB-CZ 3.46Å; V33-F47 HydrophobicContact CG1-CD1 4.34Å; V33-F47 HydrophobicContact CG1-CE1 3.55Å; V33-F47 HydrophobicContact CG1-CE2 4.45Å; V33-F47 HydrophobicContact CG1-CZ 3.62Å; V33-F47 HydrophobicContact CG2-CD2 4.37Å; V33-F47 HydrophobicContact CG2-CE1 4.24Å; V33-F47 HydrophobicContact CG2-CE2 3.62Å; V33-F47 HydrophobicContact CG2-CZ 3.55Å; V33-F47 PolarHBondContact N-O 3.36Å; V33-F47 PolarHBondContact O-N 2.96Å; V33-F47 VanDerWaalsContact O-N 3.11Å
34N85.8Confident84.7Confident83 Ų8369.8 Ų69.844%0.44433%0.334SS..EExtended strand (participates in β ladder)trans-125.487.6179.2-67.5-58000109.7H36 S45 R46N34-H36 PolarHBondContact O-N 3.3Å; N34-S45 CarbonylContact C-O 3.49Å; N34-R46 VanDerWaalsContact OD1-CZ 3.3Å; N34-R46 PolarHBondContact OD1-NE 3.07Å; N34-R46 PolarHBondContact OD1-NH2 3.17Å
35N80.4Confident84.2Confident32 Ų3271.9 Ų71.917%0.17135%0.35CS..  trans-82.693-179-70.3-21.6000110.9V33 H37 S45V33-N35 WeakPolarHBondContact CG1-OD1 3.38Å; N35-H37 PolarHBondContact O-N 3.47Å; N35-S45 PolarHBondContact N-O 3.22Å
36H74.3Confident83.9Confident159 Ų15976.3 Ų76.374%0.73637%0.366SS*.SBendtrans-81.2105.3172.3-170.2-104.9000110.6N34 F38N34-H36 PolarHBondContact O-N 3.3Å; H36-F38 PolarHBondContact O-N 2.9Å; H36-F38 VanDerWaalsContact O-N 3.15Å
37H64Low83.8Confident137 Ų13770.9 Ų70.963%0.63434%0.342SS*.SBendtrans60.816.8178.4-64.983.7000116.2N35 K40N35-H37 PolarHBondContact O-N 3.47Å; H37-K40 PolarHBondContact NE2-NZ 2.97Å
38F67.5Low83.8Confident100 Ų10072.3 Ų72.344%0.43935%0.347SS..SBendtrans-114.6139.6177.9-175.5-106.9000111.4H36 K40H36-F38 PolarHBondContact O-N 2.9Å; H36-F38 VanDerWaalsContact O-N 3.15Å; F38-K40 PolarHBondContact O-N 3.49Å
39N69.3Low83.9Confident44 Ų4470.9 Ų70.924%0.23534%0.342CS..SBendtrans4635.3173.1-160.115000116.3E41 N42 M43N39-E41 PolarHBondContact O-N 2.83Å; N39-N42 PolarHBondContact O-N 3.06Å; N39-N42 WeakPolarHBondContact OD1-CB 3.29Å; N39-N42 PolarHBondContact OD1-ND2 3.4Å; N39-M43 PolarHBondContact O-N 3.09Å; N39-M43 VanDerWaalsContact O-N 3.1Å
40K72Confident84Confident111 Ų11170.3 Ų70.348%0.48334%0.338SS..THydrogen-bonded Turntrans-65.4-20.3-177.6-75.1-174.6171.5175.30114.1H37 F38H37-K40 PolarHBondContact NE2-NZ 2.97Å; F38-K40 PolarHBondContact O-N 3.49Å
41E75.5Confident84.2Confident187 Ų18767.3 Ų67.387%0.87433%0.325SS*.THydrogen-bonded Turntrans-74.9-34.5-179.2-63.2179176.100112.1N39N39-E41 PolarHBondContact O-N 2.83Å
42N78.1Confident84.4Confident115 Ų11566.9 Ų66.962%0.61532%0.322SS*.THydrogen-bonded Turntrans-107-23.3-175.2-56.1-65.6000113.9N39N39-N42 PolarHBondContact O-N 3.06Å; N39-N42 WeakPolarHBondContact OD1-CB 3.29Å; N39-N42 PolarHBondContact OD1-ND2 3.4Å
43M84.6Confident84.6Confident38 Ų3862.9 Ų62.919%0.18731%0.305CS..SBendtrans-134.8143.4-172.9-69.7-64.3-66.200112.4W2 N39 F47W2-M43 HydrophobicContact CB-CE 3.72Å; W2-M43 HydrophobicContact CB-SD 4.17Å; W2-M43 HydrophobicContact CD2-CE 4.28Å; W2-M43 HydrophobicContact CG-CE 3.74Å; W2-M43 HydrophobicContact CG-SD 4.47Å; N39-M43 PolarHBondContact O-N 3.09Å; N39-M43 VanDerWaalsContact O-N 3.1Å; M43-F47 HydrophobicContact CE-CD1 4.16Å; M43-F47 HydrophobicContact CE-CE1 3.39Å; M43-F47 HydrophobicContact CE-CE2 3.94Å; M43-F47 HydrophobicContact CE-CZ 3.25Å
44P85.6Confident84.9Confident46 Ų4661.9 Ų61.930%0.29930%0.298SS..  trans-55.3146.6171.5-23.933.5000112.2R46 F47 V145P44-R46 VanDerWaalsContact C-N 3.26Å; P44-R46 PolarHBondContact O-N 3.32Å; P44-F47 HydrophobicContact CB-CD1 4.28Å; P44-V145 HydrophobicContact CB-CG1 3.9Å; P44-V145 HydrophobicContact CG-CG1 3.66Å
45S85.1Confident85.3Confident54 Ų5458.4 Ų58.438%0.37828%0.279SS..SBendtrans-67.2-26.3178.8-62.30000113.2N34 N35N34-S45 CarbonylContact C-O 3.49Å; N35-S45 PolarHBondContact N-O 3.22Å
46R89.5Confident86.1Confident118 Ų11856.9 Ų56.945%0.44527%0.271SS..EExtended strand (participates in β ladder)trans-139.1128.3173177.7172.3-70.4-152.70.9109.8V33 N34 P44V33-R46 WeakPolarHBondContact O-CA 3.36Å; N34-R46 VanDerWaalsContact OD1-CZ 3.3Å; N34-R46 PolarHBondContact OD1-NE 3.07Å; N34-R46 PolarHBondContact OD1-NH2 3.17Å; P44-R46 VanDerWaalsContact C-N 3.26Å; P44-R46 PolarHBondContact O-N 3.32Å
47F93.2Very high87.1Confident14 Ų1449.3 Ų49.36%0.06124%0.236CC..EExtended strand (participates in β ladder)trans-152.7156.5170.963.6-87.4000111.8W2 V33 M43 P44 T144 V145W2-F47 HydrophobicContact CD2-CE2 4.07Å; W2-F47 HydrophobicContact CD2-CZ 4.02Å; W2-F47 AromaticContact CE3-CE2 3.54Å; W2-F47 HydrophobicContact CE3-CE2 3.54Å; W2-F47 AromaticContact CE3-CZ 3.96Å; W2-F47 HydrophobicContact CE3-CZ 3.96Å; W2-F47 HydrophobicContact CH2-CE2 4.3Å; W2-F47 HydrophobicContact CH2-CZ 4.47Å; W2-F47 HydrophobicContact CZ2-CZ 4.49Å; W2-F47 AromaticContact CZ3-CE2 3.68Å; W2-F47 HydrophobicContact CZ3-CE2 3.68Å; W2-F47 HydrophobicContact CZ3-CZ 4.21Å; V33-F47 HydrophobicContact CB-CD1 4.09Å; V33-F47 HydrophobicContact CB-CD2 4.25Å; V33-F47 HydrophobicContact CB-CE1 3.62Å; V33-F47 HydrophobicContact CB-CE2 3.8Å; V33-F47 HydrophobicContact CB-CG 4.38Å; V33-F47 HydrophobicContact CB-CZ 3.46Å; V33-F47 VanDerWaalsContact CB-CZ 3.46Å; V33-F47 HydrophobicContact CG1-CD1 4.34Å; V33-F47 HydrophobicContact CG1-CE1 3.55Å; V33-F47 HydrophobicContact CG1-CE2 4.45Å; V33-F47 HydrophobicContact CG1-CZ 3.62Å; V33-F47 HydrophobicContact CG2-CD2 4.37Å; V33-F47 HydrophobicContact CG2-CE1 4.24Å; V33-F47 HydrophobicContact CG2-CE2 3.62Å; V33-F47 HydrophobicContact CG2-CZ 3.55Å; V33-F47 PolarHBondContact N-O 3.36Å; V33-F47 PolarHBondContact O-N 2.96Å; V33-F47 VanDerWaalsContact O-N 3.11Å; M43-F47 HydrophobicContact CE-CD1 4.16Å; M43-F47 HydrophobicContact CE-CE1 3.39Å; M43-F47 HydrophobicContact CE-CE2 3.94Å; M43-F47 HydrophobicContact CE-CZ 3.25Å; P44-F47 HydrophobicContact CB-CD1 4.28Å; F47-T144 CarbonylContact C-O 3.56Å; F47-T144 WeakPolarHBondContact CA-O 3.27Å; F47-T144 WeakPolarHBondContact CB-O 3.11Å; F47-V145 HydrophobicContact CB-CG2 4.04Å
48K95.1Very high88.6Confident38 Ų3845.1 Ų45.117%0.16522%0.216CC..EExtended strand (participates in β ladder)trans-116.3142.1170-46.5175.9-176.2175.20108.6V31 K32 T144V31-K48 CarbonylContact O-C 3.48Å; V31-K48 WeakPolarHBondContact O-CA 3.32Å; K32-K48 HydrophobicContact CB-CG 4.47Å; K32-K48 HydrophobicContact CG-CG 4.23Å; K48-T144 HydrophobicContact CD-CG2 4.35Å; K48-T144 PolarHBondContact N-O 3.08Å; K48-T144 PolarHBondContact O-N 3.09Å
49F96.9Very high89.9Confident7 Ų741.1 Ų41.13%0.03120%0.201CC..EExtended strand (participates in β ladder)trans-125.1132.6170171.1-96.5000108.8G3 K30 V31 E51 Y141 L143G3-F49 WeakPolarHBondContact O-CE1 3.49Å; G3-F49 WeakPolarHBondContact O-CZ 3.45Å; K30-F49 CarbonylContact C-O 3.53Å; K30-F49 WeakPolarHBondContact CA-O 3.19Å; V31-F49 HydrophobicContact CG1-CB 3.89Å; V31-F49 HydrophobicContact CG1-CD1 4.14Å; V31-F49 PolarHBondContact N-O 3.46Å; V31-F49 PolarHBondContact O-N 3.05Å; F49-E51 HydrophobicContact CE1-CB 4.1Å; F49-E51 HydrophobicContact CZ-CB 4.17Å; F49-Y141 AromaticContact CE2-CD1 3.57Å; F49-Y141 HydrophobicContact CE2-CD1 3.57Å; F49-Y141 HydrophobicContact CE2-CE1 4.28Å; F49-Y141 HydrophobicContact CE2-CG 4.15Å; F49-Y141 AromaticContact CZ-CD1 3.4Å; F49-Y141 HydrophobicContact CZ-CD1 3.4Å; F49-Y141 AromaticContact CZ-CE1 3.76Å; F49-Y141 HydrophobicContact CZ-CE1 3.76Å; F49-Y141 HydrophobicContact CZ-CG 4.4Å; F49-L143 HydrophobicContact CD2-CD2 3.6Å; F49-L143 HydrophobicContact CE2-CD2 4.21Å
50K97.5Very high91.2Very high4 Ų439 Ų392%0.01719%0.19CC..EExtended strand (participates in β ladder)trans-130.8127.6173.9179174.3177.2171.20110Y28 M29 K30 Y52 Y141 R142 E421Y28-K50 HydrophobicContact CD2-CD 4.45Å; Y28-K50 VanDerWaalsContact CG-CE 3.47Å; M29-K50 CarbonylContact O-C 3.56Å; M29-K50 WeakPolarHBondContact O-CA 3.48Å; K30-K50 HydrophobicContact CB-CB 4.41Å; K30-K50 HydrophobicContact CB-CG 4.35Å; K50-Y52 HydrophobicContact CD-CE1 4.11Å; K50-Y52 HydrophobicContact CD-CE2 4.25Å; K50-Y52 HydrophobicContact CG-CD2 4.48Å; K50-Y52 HydrophobicContact CG-CE2 4.19Å; K50-Y141 CarbonylContact O-C 3.53Å; K50-Y141 VanDerWaalsContact O-CA 3.29Å; K50-Y141 WeakPolarHBondContact O-CA 3.4Å; K50-R142 HydrophobicContact CB-CB 4.26Å; K50-R142 PolarHBondContact N-O 2.59Å; K50-R142 PolarHBondContact O-N 3.41Å; K50-E421 IonicContact NZ-OE1 3.63Å; K50-E421 PolarHBondContact NZ-OE1 3.18Å; K50-E421 IonicContact NZ-OE2 3.23Å; K50-E421 PolarHBondContact NZ-OE2 3.47Å
51E97.8Very high92.3Very high0 Ų034.3 Ų34.30%017%0.169CC..EExtended strand (participates in β ladder)trans-103.7129.7166.9-178.3171.3-139.300108.8S7 Y28 M29 F49 P54 Y141S7-E51 VanDerWaalsContact CB-OE2 3.27Å; S7-E51 WeakPolarHBondContact CB-OE2 3.29Å; S7-E51 PolarHBondContact OG-OE2 3.11Å; Y28-E51 WeakPolarHBondContact CA-O 3.46Å; Y28-E51 WeakPolarHBondContact CB-O 3.48Å; M29-E51 HydrophobicContact CE-CB 4.26Å; M29-E51 WeakPolarHBondContact CE-OE2 3.34Å; M29-E51 PolarHBondContact N-O 2.95Å; M29-E51 PolarHBondContact O-N 3.37Å; F49-E51 HydrophobicContact CE1-CB 4.1Å; F49-E51 HydrophobicContact CZ-CB 4.17Å; E51-P54 HydrophobicContact CG-CB 4.04Å; E51-Y141 HydrophobicContact CB-CD1 3.91Å; E51-Y141 HydrophobicContact CB-CE1 3.89Å; E51-Y141 HydrophobicContact CG-CD1 3.94Å; E51-Y141 HydrophobicContact CG-CE1 3.53Å; E51-Y141 WeakPolarHBondContact OE1-CE1 3.3Å; E51-Y141 PolarHBondContact OE1-OH 3.26Å
52Y98Very high93.2Very high12 Ų1229.3 Ų29.35%0.04715%0.148CC..EExtended strand (participates in β ladder)trans-93.8141.8178.1-65.8-93.9000110.2K50 F57 H115 L140 R142K50-Y52 HydrophobicContact CD-CE1 4.11Å; K50-Y52 HydrophobicContact CD-CE2 4.25Å; K50-Y52 HydrophobicContact CG-CD2 4.48Å; K50-Y52 HydrophobicContact CG-CE2 4.19Å; Y52-F57 WeakPolarHBondContact O-CD2 3.5Å; Y52-F57 WeakPolarHBondContact O-CE2 3.4Å; Y52-H115 AromaticContact CD1-CE1 3.74Å; Y52-H115 AromaticContact CD1-NE2 3.14Å; Y52-H115 WeakPolarHBondContact CD1-NE2 3.43Å; Y52-H115 AromaticContact CE1-NE2 3.8Å; Y52-H115 AromaticContact CG-NE2 3.69Å; Y52-L140 HydrophobicContact CD2-CD2 4.31Å; Y52-L140 HydrophobicContact CD2-CG 3.93Å; Y52-L140 HydrophobicContact CG-CD2 4.23Å; Y52-L140 HydrophobicContact CG-CG 4.28Å; Y52-L140 PolarHBondContact N-O 2.98Å; Y52-R142 HydrophobicContact CE2-CB 3.74Å; Y52-R142 PolarHBondContact OH-NH1 2.86Å
53C97Very high93.9Very high0 Ų028.6 Ų28.60%014%0.136CC..SBendtrans46.347.9175-490000114.5F25 A27 M55 V56 F57 H115 L118F25-C53 VanDerWaalsContact C-SG 3.55Å; F25-C53 PolarHBondContact O-SG 2.72Å; A27-C53 WeakPolarHBondContact O-CA 3.28Å; A27-C53 PolarHBondContact O-N 3.36Å; C53-M55 VanDerWaalsContact C-N 3.28Å; C53-M55 PolarHBondContact O-N 3.48Å; C53-M55 VanDerWaalsContact O-N 3.15Å; C53-V56 HydrophobicContact CB-CB 3.94Å; C53-V56 HydrophobicContact CB-CG2 3.83Å; C53-V56 WeakPolarHBondContact O-CA 3.41Å; C53-V56 WeakPolarHBondContact O-CB 3.49Å; C53-V56 PolarHBondContact O-N 2.84Å; C53-F57 HydrophobicContact CB-CD2 4.12Å; C53-F57 HydrophobicContact CB-CE2 4.08Å; C53-F57 WeakPolarHBondContact O-CD2 3.38Å; C53-F57 PolarHBondContact O-N 2.85Å; C53-H115 PolarHBondContact SG-CE1 2.9Å; C53-L118 HydrophobicContact CB-CD2 3.69Å; C53-L118 WeakPolarHBondContact SG-CD2 3.32Å
54P95.7Very high94.5Very high0 Ų027.4 Ų27.40%013%0.13CC..Hα-helixtrans-60.5-34.1-166.124.3-35.7000113.5L11 E51 K58 I426L11-P54 HydrophobicContact CD1-CB 4.16Å; L11-P54 HydrophobicContact CD2-CB 4.03Å; E51-P54 HydrophobicContact CG-CB 4.04Å; P54-K58 VanDerWaalsContact O-CB 3.31Å; P54-K58 WeakPolarHBondContact O-CB 3.47Å; P54-K58 PolarHBondContact O-N 3.04Å; P54-I426 HydrophobicContact CG-CD1 3.67Å
55M94.3Very high94.9Very high10 Ų1027.5 Ų27.55%0.04914%0.14CC..Hα-helixtrans-70-34.4175.4-63.4-54.7-61.900112.7L11 V14 L20 D24 C53 S59L11-M55 HydrophobicContact CD2-SD 4.17Å; V14-M55 HydrophobicContact CG1-CE 4.38Å; V14-M55 HydrophobicContact CG1-SD 3.93Å; L20-M55 HydrophobicContact CD2-CB 4Å; D24-M55 HydrophobicContact CB-CB 4.35Å; C53-M55 VanDerWaalsContact C-N 3.28Å; C53-M55 PolarHBondContact O-N 3.48Å; C53-M55 VanDerWaalsContact O-N 3.15Å; M55-S59 PolarHBondContact O-N 2.77Å
56V96.5Very high95.3Very high0 Ų025.3 Ų25.30%012%0.124CC..Hα-helixtrans-67.6-50.4176.1-172.30000109.7L20 D24 F25 C53 K58 S59 L60 L118 Y122L20-V56 HydrophobicContact CD1-CB 4.32Å; L20-V56 HydrophobicContact CD1-CG1 4.25Å; L20-V56 HydrophobicContact CD1-CG2 4.16Å; D24-V56 HydrophobicContact CB-CG2 4.15Å; D24-V56 VanDerWaalsContact O-CG2 3.29Å; D24-V56 WeakPolarHBondContact O-CG2 3.23Å; F25-V56 HydrophobicContact CD1-CG1 4.1Å; F25-V56 HydrophobicContact CD1-CG2 3.86Å; F25-V56 HydrophobicContact CD2-CG2 4.26Å; F25-V56 HydrophobicContact CE1-CB 4.46Å; F25-V56 HydrophobicContact CE1-CG1 3.61Å; F25-V56 HydrophobicContact CE1-CG2 3.94Å; F25-V56 HydrophobicContact CE2-CG2 4.34Å; F25-V56 HydrophobicContact CG-CG2 4.01Å; F25-V56 HydrophobicContact CZ-CG1 4.16Å; F25-V56 HydrophobicContact CZ-CG2 4.18Å; C53-V56 HydrophobicContact CB-CB 3.94Å; C53-V56 HydrophobicContact CB-CG2 3.83Å; C53-V56 WeakPolarHBondContact O-CA 3.41Å; C53-V56 WeakPolarHBondContact O-CB 3.49Å; C53-V56 PolarHBondContact O-N 2.84Å; V56-K58 VanDerWaalsContact C-N 3.34Å; V56-K58 PolarHBondContact O-N 3.19Å; V56-S59 CarbonylContact O-C 3.55Å; V56-S59 PolarHBondContact O-N 2.83Å; V56-S59 VanDerWaalsContact O-N 3.11Å; V56-L60 HydrophobicContact CG1-CD1 4.33Å; V56-L60 WeakPolarHBondContact O-CG 3.48Å; V56-L60 PolarHBondContact O-N 3.02Å; V56-L118 HydrophobicContact CB-CD2 4.44Å; V56-L118 HydrophobicContact CG1-CD1 4.05Å; V56-L118 HydrophobicContact CG1-CD2 4.13Å; V56-L118 HydrophobicContact CG1-CG 4.07Å; V56-Y122 HydrophobicContact CG1-CD2 4.11Å; V56-Y122 HydrophobicContact CG1-CG 4.44Å
57F96.9Very high95.5Very high0 Ų023.5 Ų23.50%012%0.123CC..Hα-helixtrans-66.5-33.3177.7-73.1-71.1000113Y52 C53 L60 R61 M114 L118 F137 L140Y52-F57 WeakPolarHBondContact O-CD2 3.5Å; Y52-F57 WeakPolarHBondContact O-CE2 3.4Å; C53-F57 HydrophobicContact CB-CD2 4.12Å; C53-F57 HydrophobicContact CB-CE2 4.08Å; C53-F57 WeakPolarHBondContact O-CD2 3.38Å; C53-F57 PolarHBondContact O-N 2.85Å; F57-L60 HydrophobicContact CD1-CD1 3.9Å; F57-L60 HydrophobicContact CE1-CD1 4.18Å; F57-L60 PolarHBondContact O-N 2.66Å; F57-R61 WeakPolarHBondContact O-CG 3.45Å; F57-R61 PolarHBondContact O-N 2.98Å; F57-M114 HydrophobicContact CE1-CE 4.46Å; F57-M114 HydrophobicContact CZ-CE 4.28Å; F57-L118 HydrophobicContact CE1-CD1 4.49Å; F57-L118 HydrophobicContact CE2-CD2 4.48Å; F57-L118 HydrophobicContact CZ-CD1 4.2Å; F57-F137 HydrophobicContact CE1-CB 3.97Å; F57-L140 HydrophobicContact CD2-CB 4.43Å; F57-L140 HydrophobicContact CE2-CB 3.55Å; F57-L140 HydrophobicContact CZ-CB 3.6Å
58K94.6Very high95.4Very high50 Ų5026.6 Ų26.622%0.21714%0.137CC..Hα-helixtrans-57.9-50.6167.9-169.8-157.7172.9-57.70110.8P54 V56 L60 R61 D62P54-K58 VanDerWaalsContact O-CB 3.31Å; P54-K58 WeakPolarHBondContact O-CB 3.47Å; P54-K58 PolarHBondContact O-N 3.04Å; V56-K58 VanDerWaalsContact C-N 3.34Å; V56-K58 PolarHBondContact O-N 3.19Å; K58-L60 VanDerWaalsContact C-N 3.3Å; K58-L60 PolarHBondContact O-N 3.24Å; K58-R61 PolarHBondContact O-N 2.67Å; K58-D62 VanDerWaalsContact NZ-CG 3.27Å; K58-D62 IonicContact NZ-OD1 2.69Å; K58-D62 PolarHBondContact NZ-OD1 3.16Å; K58-D62 IonicContact NZ-OD2 2.63Å; K58-D62 PolarHBondContact NZ-OD2 3.41Å; K58-D62 PolarHBondContact O-N 2.84Å
59S94.6Very high95.3Very high16 Ų1630.1 Ų30.111%0.11216%0.155CC..Hα-helixtrans-65.8-31179.4-173.10000113.1M55 V56 R63 Y122M55-S59 PolarHBondContact O-N 2.77Å; V56-S59 CarbonylContact O-C 3.55Å; V56-S59 PolarHBondContact O-N 2.83Å; V56-S59 VanDerWaalsContact O-N 3.11Å; S59-R63 WeakPolarHBondContact O-CB 3.28Å; S59-R63 VanDerWaalsContact O-CG 3.22Å; S59-R63 WeakPolarHBondContact O-CG 3.39Å; S59-R63 PolarHBondContact O-N 3.29Å; S59-R63 PolarHBondContact OG-NE 3.34Å; S59-Y122 PolarHBondContact OG-OH 2.67Å
60L96.7Very high95.1Very high0 Ų034.2 Ų34.20%018%0.177CC..Hα-helixtrans-65.5-46.5171.3-73.3170000111.5V56 F57 K58 D62 R63 F64 L118 Y121 Y122 I125V56-L60 HydrophobicContact CG1-CD1 4.33Å; V56-L60 WeakPolarHBondContact O-CG 3.48Å; V56-L60 PolarHBondContact O-N 3.02Å; F57-L60 HydrophobicContact CD1-CD1 3.9Å; F57-L60 HydrophobicContact CE1-CD1 4.18Å; F57-L60 PolarHBondContact O-N 2.66Å; K58-L60 VanDerWaalsContact C-N 3.3Å; K58-L60 PolarHBondContact O-N 3.24Å; L60-D62 VanDerWaalsContact C-N 3.34Å; L60-D62 PolarHBondContact O-N 3.39Å; L60-R63 PolarHBondContact O-N 3.01Å; L60-R63 VanDerWaalsContact O-N 3.1Å; L60-F64 HydrophobicContact CB-CD2 4.23Å; L60-F64 HydrophobicContact CB-CE2 3.99Å; L60-F64 HydrophobicContact CD2-CE2 4.03Å; L60-F64 HydrophobicContact CD2-CZ 4.3Å; L60-F64 WeakPolarHBondContact O-CD2 3.38Å; L60-F64 WeakPolarHBondContact O-CG 3.1Å; L60-F64 PolarHBondContact O-N 3.11Å; L60-L118 HydrophobicContact CD1-CD1 4.3Å; L60-Y121 HydrophobicContact CD1-CD1 4.3Å; L60-Y121 HydrophobicContact CD1-CE1 3.95Å; L60-Y121 HydrophobicContact CD2-CD1 4.31Å; L60-Y121 HydrophobicContact CD2-CE1 3.87Å; L60-Y122 HydrophobicContact CD2-CD2 3.86Å; L60-Y122 HydrophobicContact CG-CD2 4.1Å; L60-I125 HydrophobicContact CD2-CB 4.21Å; L60-I125 HydrophobicContact CD2-CG1 4.24Å; L60-I125 HydrophobicContact CD2-CG2 4.01Å
61R95.9Very high95Very high11 Ų1134 Ų344%0.04218%0.176CC..Hα-helixtrans-55.5-48.4173.3-72-174.3-65-117.39.8111.3F57 K58 R63 F64 G65 V66 L138F57-R61 WeakPolarHBondContact O-CG 3.45Å; F57-R61 PolarHBondContact O-N 2.98Å; K58-R61 PolarHBondContact O-N 2.67Å; R61-R63 VanDerWaalsContact C-N 3.29Å; R61-R63 PolarHBondContact O-N 2.73Å; R61-F64 PolarHBondContact O-N 3.31Å; R61-G65 PolarHBondContact O-N 2.82Å; R61-V66 HydrophobicContact CB-CB 4.13Å; R61-V66 HydrophobicContact CB-CG1 4.35Å; R61-V66 HydrophobicContact CG-CB 4.45Å; R61-V66 HydrophobicContact CG-CG1 4.29Å; R61-V66 PolarHBondContact O-N 3.18Å; R61-L138 HydrophobicContact CG-CB 4.01Å; R61-L138 HydrophobicContact CG-CD2 4.09Å; R61-L138 PolarHBondContact NH1-O 3.01Å
62D93.6Very high94.8Very high82 Ų8237.7 Ų37.744%0.43919%0.19SC..Hα-helixtrans-57.6-39.5176.5-57.6-25.9000111.5K58 L60K58-D62 VanDerWaalsContact NZ-CG 3.27Å; K58-D62 IonicContact NZ-OD1 2.69Å; K58-D62 PolarHBondContact NZ-OD1 3.16Å; K58-D62 IonicContact NZ-OD2 2.63Å; K58-D62 PolarHBondContact NZ-OD2 3.41Å; K58-D62 PolarHBondContact O-N 2.84Å; L60-D62 VanDerWaalsContact C-N 3.34Å; L60-D62 PolarHBondContact O-N 3.39Å
63R93.8Very high94.7Very high100 Ų10038.6 Ų38.638%0.37720%0.196SC..Hα-helixtrans-75.2-28.6178.9-74.7173.6-169.8-67.1-7.1114.7S59 L60 R61 G65 Y122 I125S59-R63 WeakPolarHBondContact O-CB 3.28Å; S59-R63 VanDerWaalsContact O-CG 3.22Å; S59-R63 WeakPolarHBondContact O-CG 3.39Å; S59-R63 PolarHBondContact O-N 3.29Å; S59-R63 PolarHBondContact OG-NE 3.34Å; L60-R63 PolarHBondContact O-N 3.01Å; L60-R63 VanDerWaalsContact O-N 3.1Å; R61-R63 VanDerWaalsContact C-N 3.29Å; R61-R63 PolarHBondContact O-N 2.73Å; R63-G65 VanDerWaalsContact C-N 3.28Å; R63-Y122 PolarHBondContact NE-OH 3.04Å; R63-Y122 PolarHBondContact NH2-OH 2.78Å; R63-I125 HydrophobicContact CB-CG2 4.33Å
64F95.6Very high94.5Very high13 Ų1338.6 Ų38.66%0.05720%0.196CC..THydrogen-bonded Turntrans-87.87.1177.8-66.2-48.6000113.5L60 R61 V66 Y121 I125 Q136 L138 R156L60-F64 HydrophobicContact CB-CD2 4.23Å; L60-F64 HydrophobicContact CB-CE2 3.99Å; L60-F64 HydrophobicContact CD2-CE2 4.03Å; L60-F64 HydrophobicContact CD2-CZ 4.3Å; L60-F64 WeakPolarHBondContact O-CD2 3.38Å; L60-F64 WeakPolarHBondContact O-CG 3.1Å; L60-F64 PolarHBondContact O-N 3.11Å; R61-F64 PolarHBondContact O-N 3.31Å; F64-V66 HydrophobicContact CB-CG2 4.14Å; F64-V66 PolarHBondContact O-N 3.03Å; F64-Y121 HydrophobicContact CZ-CE1 4.49Å; F64-Y121 WeakPolarHBondContact CZ-OH 3.36Å; F64-I125 HydrophobicContact CD1-CG2 4.42Å; F64-I125 HydrophobicContact CE1-CD1 3.81Å; F64-I125 HydrophobicContact CE1-CG1 4.19Å; F64-I125 HydrophobicContact CE1-CG2 3.62Å; F64-I125 HydrophobicContact CZ-CB 4.42Å; F64-I125 HydrophobicContact CZ-CD1 3.73Å; F64-I125 HydrophobicContact CZ-CG1 3.78Å; F64-I125 HydrophobicContact CZ-CG2 3.72Å; F64-Q136 HydrophobicContact CD1-CB 4.1Å; F64-Q136 HydrophobicContact CD1-CG 3.6Å; F64-Q136 HydrophobicContact CD2-CB 3.86Å; F64-Q136 HydrophobicContact CD2-CG 4.3Å; F64-Q136 HydrophobicContact CE1-CB 4.04Å; F64-Q136 HydrophobicContact CE1-CG 3.52Å; F64-Q136 HydrophobicContact CE2-CB 3.78Å; F64-Q136 HydrophobicContact CE2-CG 4.21Å; F64-Q136 HydrophobicContact CG-CB 4.02Å; F64-Q136 HydrophobicContact CG-CG 4Å; F64-Q136 HydrophobicContact CZ-CB 3.87Å; F64-Q136 HydrophobicContact CZ-CG 3.84Å; F64-L138 HydrophobicContact CB-CD2 4.48Å; F64-L138 HydrophobicContact CD2-CD2 3.67Å; F64-L138 HydrophobicContact CE2-CD2 4.39Å; F64-L138 HydrophobicContact CG-CD2 4.49Å; F64-R156 PolarHBondContact O-NH2 3.38Å
65G94.1Very high94.4Very high48 Ų4839 Ų3950%0.49520%0.198SC..THydrogen-bonded Turntrans61.532.9-176.800000112.5R61 R63R61-G65 PolarHBondContact O-N 2.82Å; R63-G65 VanDerWaalsContact C-N 3.28Å
66V94.5Very high94.3Very high9 Ų939.7 Ų39.76%0.05520%0.202CC..  trans-92.2108.5174.4173.60000107.7R61 F64 Y71 F101 L138 R156R61-V66 HydrophobicContact CB-CB 4.13Å; R61-V66 HydrophobicContact CB-CG1 4.35Å; R61-V66 HydrophobicContact CG-CB 4.45Å; R61-V66 HydrophobicContact CG-CG1 4.29Å; R61-V66 PolarHBondContact O-N 3.18Å; F64-V66 HydrophobicContact CB-CG2 4.14Å; F64-V66 PolarHBondContact O-N 3.03Å; V66-Y71 HydrophobicContact CG1-CD2 3.96Å; V66-Y71 HydrophobicContact CG1-CG 4.27Å; V66-F101 HydrophobicContact CG1-CE1 4.11Å; V66-F101 HydrophobicContact CG1-CZ 3.84Å; V66-F101 HydrophobicContact CG2-CE1 4.16Å; V66-L138 HydrophobicContact CG2-CD1 4.19Å; V66-L138 HydrophobicContact CG2-CD2 3.98Å; V66-R156 VanDerWaalsContact CG2-NH2 3.25Å
67D92.6Very high93.9Very high80 Ų8045 Ų4543%0.42822%0.222SC..  trans-63.4146.6174.4179.6-103.1000111.3M69 D70 Y71D67-M69 WeakPolarHBondContact OD1-CA 3.02Å; D67-M69 WeakPolarHBondContact OD1-CB 3.35Å; D67-M69 PolarHBondContact OD1-N 2.73Å; D67-D70 HydrophobicContact CB-CB 4.07Å; D67-D70 PolarHBondContact OD1-N 3.49Å; D67-D70 VanDerWaalsContact OD1-N 3.16Å; D67-Y71 WeakPolarHBondContact O-CB 3.48Å; D67-Y71 PolarHBondContact O-N 3.39Å
68K92.3Very high93.6Very high79 Ų7947.3 Ų47.334%0.34323%0.233SC..Hα-helixtrans-64.6-45.1-178.7179.7-164.8168.1-1620111.6F8 N12 W72F8-K68 HydrophobicContact CD1-CG 3.84Å; F8-K68 HydrophobicContact CE1-CB 4.49Å; F8-K68 HydrophobicContact CE1-CG 3.55Å; F8-K68 VanDerWaalsContact CE1-O 3.31Å; F8-K68 WeakPolarHBondContact CE1-O 3.14Å; N12-K68 VanDerWaalsContact OD1-CE 3.32Å; N12-K68 WeakPolarHBondContact OD1-CE 3.39Å; N12-K68 PolarHBondContact OD1-NZ 3.27Å; K68-W72 WeakPolarHBondContact O-CB 3.4Å; K68-W72 PolarHBondContact O-N 2.83Å
69M93Very high93.5Very high112 Ų11252.1 Ų52.155%0.55226%0.256SS*.Hα-helixtrans-72.9-41.8-178.9-58.3-53.5-176.100110.4D67 Y71 W72 D73D67-M69 WeakPolarHBondContact OD1-CA 3.02Å; D67-M69 WeakPolarHBondContact OD1-CB 3.35Å; D67-M69 PolarHBondContact OD1-N 2.73Å; M69-Y71 PolarHBondContact O-N 3.14Å; M69-W72 PolarHBondContact O-N 3.21Å; M69-D73 WeakPolarHBondContact O-CB 3.33Å; M69-D73 PolarHBondContact O-N 3.17Å
70D92.7Very high93.3Very high92 Ų9252.1 Ų52.149%0.49226%0.256SS..Hα-helixtrans-56.7-47174.2-72.7-14.9000111.8D67 S74D67-D70 HydrophobicContact CB-CB 4.07Å; D67-D70 PolarHBondContact OD1-N 3.49Å; D67-D70 VanDerWaalsContact OD1-N 3.16Å; D70-S74 VanDerWaalsContact O-CB 3.28Å; D70-S74 WeakPolarHBondContact O-CB 3.12Å; D70-S74 PolarHBondContact O-N 3.08Å; D70-S74 PolarHBondContact O-OG 2.87Å
71Y95.3Very high92.9Very high0 Ų057.8 Ų57.80%029%0.286CS..Hα-helixtrans-64.1-45.7177.1-177.3-87.1000112.4I4 F8 V66 D67 M69 F75 F101 L138 Y141 V154I4-Y71 HydrophobicContact CG2-CE1 4.28Å; F8-Y71 HydrophobicContact CE1-CD1 4.21Å; F8-Y71 AromaticContact CE2-CD1 3.88Å; F8-Y71 HydrophobicContact CE2-CD1 3.88Å; F8-Y71 AromaticContact CE2-CE1 3.9Å; F8-Y71 HydrophobicContact CE2-CE1 3.9Å; F8-Y71 AromaticContact CZ-CD1 3.35Å; F8-Y71 HydrophobicContact CZ-CD1 3.35Å; F8-Y71 AromaticContact CZ-CE1 3.84Å; F8-Y71 HydrophobicContact CZ-CE1 3.84Å; F8-Y71 HydrophobicContact CZ-CG 4.33Å; V66-Y71 HydrophobicContact CG1-CD2 3.96Å; V66-Y71 HydrophobicContact CG1-CG 4.27Å; D67-Y71 WeakPolarHBondContact O-CB 3.48Å; D67-Y71 PolarHBondContact O-N 3.39Å; M69-Y71 PolarHBondContact O-N 3.14Å; Y71-F75 HydrophobicContact CD1-CD2 4.32Å; Y71-F75 HydrophobicContact CD2-CD2 4.46Å; Y71-F75 HydrophobicContact CD2-CE2 4.2Å; Y71-F75 HydrophobicContact CE1-CD2 4.08Å; Y71-F75 HydrophobicContact CE1-CE2 4.33Å; Y71-F75 HydrophobicContact CE2-CD2 4.2Å; Y71-F75 AromaticContact CE2-CE2 3.71Å; Y71-F75 HydrophobicContact CE2-CE2 3.71Å; Y71-F75 AromaticContact CZ-CE2 3.8Å; Y71-F75 WeakPolarHBondContact O-CD2 3.47Å; Y71-F101 HydrophobicContact CD2-CD1 4.45Å; Y71-F101 HydrophobicContact CD2-CD2 4.26Å; Y71-F101 HydrophobicContact CD2-CE1 4.26Å; Y71-F101 HydrophobicContact CD2-CE2 4.07Å; Y71-F101 HydrophobicContact CD2-CG 4.46Å; Y71-F101 HydrophobicContact CD2-CZ 4.07Å; Y71-L138 HydrophobicContact CD2-CB 4.41Å; Y71-L138 HydrophobicContact CD2-CD1 4.2Å; Y71-L138 HydrophobicContact CE2-CB 3.64Å; Y71-L138 HydrophobicContact CE2-CD1 3.99Å; Y71-L138 HydrophobicContact CE2-CG 4.49Å; Y71-Y141 PolarHBondContact OH-OH 3.19Å; Y71-V154 HydrophobicContact CE2-CG1 3.84Å; Y71-V154 WeakPolarHBondContact OH-CG1 3.49Å
72W94.1Very high92.4Very high78 Ų7864.3 Ų64.330%0.29531%0.311SS..Hα-helixtrans-59.1-53.5178.4175.286.5000110.6N5 F8 K68 M69 S74 F75 T76N5-W72 WeakPolarHBondContact OD1-CZ2 3.08Å; N5-W72 PolarHBondContact OD1-NE1 3.25Å; F8-W72 HydrophobicContact CD1-CB 3.81Å; F8-W72 AromaticContact CD1-CD1 4Å; F8-W72 HydrophobicContact CD1-CG 4.24Å; F8-W72 HydrophobicContact CE1-CB 3.95Å; F8-W72 AromaticContact CG-CD1 3.94Å; K68-W72 WeakPolarHBondContact O-CB 3.4Å; K68-W72 PolarHBondContact O-N 2.83Å; M69-W72 PolarHBondContact O-N 3.21Å; W72-S74 VanDerWaalsContact C-N 3.35Å; W72-S74 PolarHBondContact O-N 3.16Å; W72-F75 PolarHBondContact O-N 2.89Å; W72-T76 HydrophobicContact CD2-CG2 4.35Å; W72-T76 HydrophobicContact CG-CG2 4.37Å; W72-T76 WeakPolarHBondContact O-CG2 3.36Å; W72-T76 PolarHBondContact O-N 3.18Å; W72-T76 PolarHBondContact O-OG1 2.67Å
73D94.1Very high91.7Very high30 Ų3062.1 Ų62.116%0.1630%0.299CS..Hα-helixtrans-58.7-44.8-177.2-166.186.2000111.9M69 F75 T76 R77 Y97M69-D73 WeakPolarHBondContact O-CB 3.33Å; M69-D73 PolarHBondContact O-N 3.17Å; D73-F75 PolarHBondContact O-N 3.09Å; D73-T76 PolarHBondContact O-N 3.16Å; D73-T76 VanDerWaalsContact O-N 3.12Å; D73-R77 VanDerWaalsContact CG-NE 3.3Å; D73-R77 WeakPolarHBondContact O-CB 3.45Å; D73-R77 PolarHBondContact O-N 3.42Å; D73-R77 IonicContact OD1-CZ 3.08Å; D73-R77 VanDerWaalsContact OD1-CZ 3.23Å; D73-R77 IonicContact OD1-NE 3.87Å; D73-R77 PolarHBondContact OD1-NE 3.42Å; D73-R77 IonicContact OD1-NH2 3.52Å; D73-R77 PolarHBondContact OD1-NH2 3.33Å; D73-R77 IonicContact OD2-CZ 2.66Å; D73-R77 IonicContact OD2-NE 3.33Å; D73-R77 PolarHBondContact OD2-NE 3.4Å; D73-R77 IonicContact OD2-NH2 3.75Å; D73-Y97 PolarHBondContact OD2-OH 2.81Å
74S93.9Very high90.2Very high0 Ų062.6 Ų62.60%032%0.318CS..Hα-helixtrans-52.4-30.1175.8-61.70000114D70 W72 T96 N98 F101D70-S74 VanDerWaalsContact O-CB 3.28Å; D70-S74 WeakPolarHBondContact O-CB 3.12Å; D70-S74 PolarHBondContact O-N 3.08Å; D70-S74 PolarHBondContact O-OG 2.87Å; W72-S74 VanDerWaalsContact C-N 3.35Å; W72-S74 PolarHBondContact O-N 3.16Å; S74-T96 VanDerWaalsContact O-CB 3.27Å; S74-T96 WeakPolarHBondContact O-CB 3.4Å; S74-T96 VanDerWaalsContact O-CG2 3.25Å; S74-T96 WeakPolarHBondContact O-CG2 3.41Å; S74-N98 PolarHBondContact OG-ND2 3.45Å; S74-F101 WeakPolarHBondContact OG-CE2 3.44Å
75F93Very high88.3Confident8 Ų865 Ų654%0.03533%0.334CS..Hα-helixtrans-106.8-9.2-178-80.4-71.6000115M1 I4 Y71 W72 D73 P80 T96 F101 A103 V154M1-F75 WeakPolarHBondContact CG-O 3.42Å; I4-F75 HydrophobicContact CD1-CB 3.78Å; I4-F75 HydrophobicContact CD1-CD1 3.87Å; I4-F75 HydrophobicContact CD1-CD2 4.16Å; I4-F75 HydrophobicContact CD1-CG 3.66Å; I4-F75 HydrophobicContact CG2-CB 4.34Å; Y71-F75 HydrophobicContact CD1-CD2 4.32Å; Y71-F75 HydrophobicContact CD2-CD2 4.46Å; Y71-F75 HydrophobicContact CD2-CE2 4.2Å; Y71-F75 HydrophobicContact CE1-CD2 4.08Å; Y71-F75 HydrophobicContact CE1-CE2 4.33Å; Y71-F75 HydrophobicContact CE2-CD2 4.2Å; Y71-F75 AromaticContact CE2-CE2 3.71Å; Y71-F75 HydrophobicContact CE2-CE2 3.71Å; Y71-F75 AromaticContact CZ-CE2 3.8Å; Y71-F75 WeakPolarHBondContact O-CD2 3.47Å; W72-F75 PolarHBondContact O-N 2.89Å; D73-F75 PolarHBondContact O-N 3.09Å; F75-P80 HydrophobicContact CD1-CG 4.12Å; F75-T96 HydrophobicContact CD1-CG2 3.73Å; F75-T96 HydrophobicContact CD2-CG2 4.06Å; F75-T96 HydrophobicContact CE1-CG2 3.45Å; F75-T96 VanDerWaalsContact CE1-CG2 3.45Å; F75-T96 HydrophobicContact CE2-CG2 3.79Å; F75-T96 HydrophobicContact CG-CG2 4.01Å; F75-T96 HydrophobicContact CZ-CG2 3.47Å; F75-T96 VanDerWaalsContact CZ-CG2 3.47Å; F75-F101 HydrophobicContact CE2-CB 3.77Å; F75-F101 AromaticContact CE2-CD2 3.98Å; F75-F101 HydrophobicContact CE2-CD2 3.98Å; F75-F101 HydrophobicContact CE2-CG 4.07Å; F75-F101 HydrophobicContact CZ-CB 3.75Å; F75-A103 HydrophobicContact CE1-CB 4.29Å; F75-V154 HydrophobicContact CE2-CG1 3.71Å; F75-V154 HydrophobicContact CZ-CB 4.46Å; F75-V154 HydrophobicContact CZ-CG1 3.47Å; F75-V154 VanDerWaalsContact CZ-CG1 3.47Å; F75-V154 HydrophobicContact CZ-CG2 4.07Å
76T91.7Very high86.4Confident25 Ų2565.9 Ų65.915%0.15332%0.322CS..Hα-helixtrans-117.4-33.1-175.859.80000113.9M1 N5 W72 D73M1-T76 WeakPolarHBondContact CE-O 3.47Å; N5-T76 HydrophobicContact CB-CG2 4.23Å; W72-T76 HydrophobicContact CD2-CG2 4.35Å; W72-T76 HydrophobicContact CG-CG2 4.37Å; W72-T76 WeakPolarHBondContact O-CG2 3.36Å; W72-T76 PolarHBondContact O-N 3.18Å; W72-T76 PolarHBondContact O-OG1 2.67Å; D73-T76 PolarHBondContact O-N 3.16Å; D73-T76 VanDerWaalsContact O-N 3.12Å
77R90Very high84.2Confident111 Ų11168.7 Ų68.742%0.41935%0.353SS..SBendtrans-64.8-44.8-175.8-175.9-176.8-68.2-87.9-9.6112.9D73 Y97D73-R77 VanDerWaalsContact CG-NE 3.3Å; D73-R77 WeakPolarHBondContact O-CB 3.45Å; D73-R77 PolarHBondContact O-N 3.42Å; D73-R77 IonicContact OD1-CZ 3.08Å; D73-R77 VanDerWaalsContact OD1-CZ 3.23Å; D73-R77 IonicContact OD1-NE 3.87Å; D73-R77 PolarHBondContact OD1-NE 3.42Å; D73-R77 IonicContact OD1-NH2 3.52Å; D73-R77 PolarHBondContact OD1-NH2 3.33Å; D73-R77 IonicContact OD2-CZ 2.66Å; D73-R77 IonicContact OD2-NE 3.33Å; D73-R77 PolarHBondContact OD2-NE 3.4Å; D73-R77 IonicContact OD2-NH2 3.75Å; R77-Y97 HydrophobicContact CB-CE1 3.95Å
78H90.4Very high82.1Confident50 Ų5071.1 Ų71.123%0.23136%0.36CS..SBendtrans-137.3155.6177.4-62.1-62.3000110.8P80 Y97H78-P80 WeakPolarHBondContact O-CD 3.42Å; H78-Y97 HydrophobicContact CB-CD1 3.91Å; H78-Y97 HydrophobicContact CB-CG 3.8Å; H78-Y97 AromaticContact CD2-CD2 3.67Å; H78-Y97 AromaticContact CD2-CE2 3.92Å; H78-Y97 AromaticContact CD2-CG 3.82Å
79Q90.8Very high80.3Confident150 Ų15071.5 Ų71.570%0.70137%0.372SS*.PPolyproline II helixtrans-64.7126.8179.2-173.6174.854.700110.9M1M1-Q79 HydrophobicContact SD-CB 4.19Å; M1-Q79 HydrophobicContact SD-CG 4.3Å
80P91.2Very high78.8Confident17 Ų1769.8 Ų69.811%0.1138%0.383CS..PPolyproline II helixtrans-60.6140172.2-24.835.6000111.9F75 H78 L94 V95F75-P80 HydrophobicContact CD1-CG 4.12Å; H78-P80 WeakPolarHBondContact O-CD 3.42Å; P80-L94 HydrophobicContact CB-CB 4.34Å; P80-L94 HydrophobicContact CB-CD2 4.29Å; P80-V95 CarbonylContact C-O 3.57Å; P80-V95 VanDerWaalsContact CA-O 3.27Å; P80-V95 WeakPolarHBondContact CA-O 3.49Å; P80-V95 WeakPolarHBondContact CB-O 3.41Å
81L89.2Confident78Confident118 Ų11866 Ų6662%0.61836%0.364SS*.EExtended strand (participates in β ladder)trans-90.8142.2-176.4-61.5175.4000111L94 V95L81-L94 CarbonylContact O-C 3.57Å; L81-L94 WeakPolarHBondContact O-CA 3.37Å; L81-V95 PolarHBondContact N-O 2.9Å; L81-V95 PolarHBondContact O-N 2.89Å
82W84.8Confident77.5Confident148 Ų14872.4 Ų72.456%0.56139%0.392SS*.EExtended strand (participates in β ladder)trans-76.3123.2174.5-67.798.4000110.9S84 K92 L94W82-S84 VanDerWaalsContact C-N 3.31Å; W82-S84 PolarHBondContact O-N 2.82Å; W82-K92 HydrophobicContact CE3-CB 3.98Å; W82-K92 HydrophobicContact CE3-CD 4.35Å; W82-K92 HydrophobicContact CH2-CD 4.49Å; W82-K92 HydrophobicContact CZ3-CB 3.6Å; W82-K92 HydrophobicContact CZ3-CD 3.94Å; W82-K92 HydrophobicContact CZ3-CG 4.42Å; W82-L94 HydrophobicContact CB-CD2 4.46Å; W82-L94 HydrophobicContact CD2-CD2 3.4Å; W82-L94 VanDerWaalsContact CD2-CD2 3.4Å; W82-L94 HydrophobicContact CD2-CG 3.93Å; W82-L94 HydrophobicContact CE3-CD1 4.48Å; W82-L94 HydrophobicContact CE3-CD2 3.7Å; W82-L94 HydrophobicContact CE3-CG 3.67Å; W82-L94 HydrophobicContact CG-CD2 3.74Å; W82-L94 HydrophobicContact CH2-CD1 3.91Å; W82-L94 HydrophobicContact CH2-CD2 4.29Å; W82-L94 HydrophobicContact CH2-CG 4Å; W82-L94 HydrophobicContact CZ2-CD1 4.15Å; W82-L94 HydrophobicContact CZ2-CD2 4.04Å; W82-L94 HydrophobicContact CZ2-CG 4.24Å; W82-L94 HydrophobicContact CZ3-CD1 4.07Å; W82-L94 HydrophobicContact CZ3-CD2 4.12Å; W82-L94 HydrophobicContact CZ3-CG 3.69Å
83D79Confident77.3Confident37 Ų3770.3 Ų70.320%0.19839%0.385CS..  trans-77.484.2169.6-179.45000109.6T85 R86 F93 V95D83-T85 PolarHBondContact O-N 2.58Å; D83-T85 VanDerWaalsContact O-N 3.09Å; D83-T85 VanDerWaalsContact OD1-CB 3.26Å; D83-T85 WeakPolarHBondContact OD1-CB 3.22Å; D83-T85 WeakPolarHBondContact OD1-CG2 3.13Å; D83-T85 PolarHBondContact OD1-N 2.82Å; D83-T85 PolarHBondContact OD1-OG1 3.22Å; D83-R86 VanDerWaalsContact OD2-CD 3.24Å; D83-R86 WeakPolarHBondContact OD2-CD 3.06Å; D83-R86 WeakPolarHBondContact OD2-CG 3.28Å; D83-R86 IonicContact OD2-NE 3.19Å; D83-R86 PolarHBondContact OD2-NE 2.65Å; D83-F93 HydrophobicContact CB-CB 4.13Å; D83-F93 PolarHBondContact N-O 2.75Å; D83-V95 HydrophobicContact CB-CG2 4.18Å
84S61.4Low77.3Confident110 Ų11070 Ų7077%0.76938%0.383SS*.G310 helixtrans-60.6-12.5175.2-62.70000113.4W82 R86W82-S84 VanDerWaalsContact C-N 3.31Å; W82-S84 PolarHBondContact O-N 2.82Å; S84-R86 VanDerWaalsContact C-N 3.34Å; S84-R86 PolarHBondContact O-N 3.21Å
85T56.1Low77.2Confident64 Ų6471.4 Ų71.439%0.39339%0.392SS..G310 helixtrans-76.5-18.2-174.677.70000113.6D83 K247D83-T85 PolarHBondContact O-N 2.58Å; D83-T85 VanDerWaalsContact O-N 3.09Å; D83-T85 VanDerWaalsContact OD1-CB 3.26Å; D83-T85 WeakPolarHBondContact OD1-CB 3.22Å; D83-T85 WeakPolarHBondContact OD1-CG2 3.13Å; D83-T85 PolarHBondContact OD1-N 2.82Å; D83-T85 PolarHBondContact OD1-OG1 3.22Å; T85-K247 PolarHBondContact O-NZ 3.5Å
86R54.8Low77.3Confident66 Ų6671.1 Ų71.125%0.24939%0.39CS..G310 helixtrans-100.76.9-170.5-66-175.8-171.3-116.26.4116.5D83 S84 K88 F93D83-R86 VanDerWaalsContact OD2-CD 3.24Å; D83-R86 WeakPolarHBondContact OD2-CD 3.06Å; D83-R86 WeakPolarHBondContact OD2-CG 3.28Å; D83-R86 IonicContact OD2-NE 3.19Å; D83-R86 PolarHBondContact OD2-NE 2.65Å; S84-R86 VanDerWaalsContact C-N 3.34Å; S84-R86 PolarHBondContact O-N 3.21Å; R86-K88 VanDerWaalsContact C-N 3.31Å; R86-K88 PolarHBondContact O-N 3.48Å; R86-F93 HydrophobicContact CB-CD2 3.87Å; R86-F93 HydrophobicContact CB-CE2 4.17Å; R86-F93 HydrophobicContact CG-CD2 4.44Å
87G47.5Very low77.3Confident68 Ų6873.4 Ų73.470%0.70140%0.397SS*.THydrogen-bonded Turntrans-72.448-168.900000118.9
88K49.6Very low77.3Confident131 Ų13169.4 Ų69.457%0.5738%0.384SS*.THydrogen-bonded Turntrans-97-25167.8-87-175.7-176.61240114.3R86 E244R86-K88 VanDerWaalsContact C-N 3.31Å; R86-K88 PolarHBondContact O-N 3.48Å; K88-E244 IonicContact NZ-OE2 3.61Å; K88-E244 PolarHBondContact NZ-OE2 2.84Å
89S53.1Low77.4Confident86 Ų8674.6 Ų74.660%0.60140%0.401SS*.SBendtrans-100.1153.5167.6-171.50000108.5S91S89-S91 PolarHBondContact O-N 3.05Å; S89-S91 VanDerWaalsContact O-N 3.07Å
90G62.9Low77.5Confident77 Ų7769.4 Ų69.479%0.79438%0.377SS*.SBendtrans-63-13.1177.900000114.1K92G90-K92 PolarHBondContact O-N 2.72Å
91S75.2Confident77.7Confident13 Ų1368.7 Ų68.79%0.09137%0.372CS..  trans-68.7118170.7-176.90000111.5S89 K104 T105S89-S91 PolarHBondContact O-N 3.05Å; S89-S91 VanDerWaalsContact O-N 3.07Å; S91-K104 WeakPolarHBondContact OG-CE 3.46Å; S91-K104 WeakPolarHBondContact OG-CG 3.49Å; S91-T105 VanDerWaalsContact CB-O 3.31Å; S91-T105 WeakPolarHBondContact CB-O 3.45Å; S91-T105 PolarHBondContact OG-O 2.98Å
92K85.4Confident78Confident133 Ų13363.9 Ų63.958%0.57835%0.348SS*.  trans-93.9153.4172.8-61.9177.6-176.8175.60110.1W82 G90 T105W82-K92 HydrophobicContact CE3-CB 3.98Å; W82-K92 HydrophobicContact CE3-CD 4.35Å; W82-K92 HydrophobicContact CH2-CD 4.49Å; W82-K92 HydrophobicContact CZ3-CB 3.6Å; W82-K92 HydrophobicContact CZ3-CD 3.94Å; W82-K92 HydrophobicContact CZ3-CG 4.42Å; G90-K92 PolarHBondContact O-N 2.72Å; K92-T105 PolarHBondContact O-N 3.27Å
93F90.3Very high78.5Confident34 Ų3457 Ų5715%0.14932%0.323CS..EExtended strand (participates in β ladder)trans-118.6136.9176.6-67.3-90.9000110.5D83 R86 V102 K104D83-F93 HydrophobicContact CB-CB 4.13Å; D83-F93 PolarHBondContact N-O 2.75Å; R86-F93 HydrophobicContact CB-CD2 3.87Å; R86-F93 HydrophobicContact CB-CE2 4.17Å; R86-F93 HydrophobicContact CG-CD2 4.44Å; F93-V102 HydrophobicContact CB-CG1 4.44Å; F93-V102 HydrophobicContact CD1-CG1 3.59Å; F93-V102 HydrophobicContact CE1-CG1 4.36Å; F93-V102 HydrophobicContact CG-CG1 4.48Å; F93-K104 HydrophobicContact CD1-CB 3.93Å; F93-K104 HydrophobicContact CD1-CG 4.05Å; F93-K104 HydrophobicContact CE1-CB 3.78Å; F93-K104 HydrophobicContact CE1-CD 3.83Å; F93-K104 HydrophobicContact CE1-CG 3.57Å; F93-K104 HydrophobicContact CZ-CD 3.97Å; F93-K104 HydrophobicContact CZ-CG 3.93Å
94L92.2Very high79.2Confident25 Ų2555.9 Ų55.913%0.13132%0.316CS..EExtended strand (participates in β ladder)trans-110.5140.8167.5-79.2165.6000108.4P80 L81 W82 V102 A103P80-L94 HydrophobicContact CB-CB 4.34Å; P80-L94 HydrophobicContact CB-CD2 4.29Å; L81-L94 CarbonylContact O-C 3.57Å; L81-L94 WeakPolarHBondContact O-CA 3.37Å; W82-L94 HydrophobicContact CB-CD2 4.46Å; W82-L94 HydrophobicContact CD2-CD2 3.4Å; W82-L94 VanDerWaalsContact CD2-CD2 3.4Å; W82-L94 HydrophobicContact CD2-CG 3.93Å; W82-L94 HydrophobicContact CE3-CD1 4.48Å; W82-L94 HydrophobicContact CE3-CD2 3.7Å; W82-L94 HydrophobicContact CE3-CG 3.67Å; W82-L94 HydrophobicContact CG-CD2 3.74Å; W82-L94 HydrophobicContact CH2-CD1 3.91Å; W82-L94 HydrophobicContact CH2-CD2 4.29Å; W82-L94 HydrophobicContact CH2-CG 4Å; W82-L94 HydrophobicContact CZ2-CD1 4.15Å; W82-L94 HydrophobicContact CZ2-CD2 4.04Å; W82-L94 HydrophobicContact CZ2-CG 4.24Å; W82-L94 HydrophobicContact CZ3-CD1 4.07Å; W82-L94 HydrophobicContact CZ3-CD2 4.12Å; W82-L94 HydrophobicContact CZ3-CG 3.69Å; L94-V102 CarbonylContact O-C 3.56Å; L94-V102 WeakPolarHBondContact O-CA 3.47Å; L94-A103 HydrophobicContact CB-CB 4.01Å; L94-A103 PolarHBondContact N-O 2.63Å; L94-A103 PolarHBondContact O-N 3.46Å
95V93.1Very high80.8Confident28 Ų2852.2 Ų52.217%0.1729%0.289CS..EExtended strand (participates in β ladder)trans-121.3133.6178.3-176.40000108.3P80 L81 D83 R99 V102P80-V95 CarbonylContact C-O 3.57Å; P80-V95 VanDerWaalsContact CA-O 3.27Å; P80-V95 WeakPolarHBondContact CA-O 3.49Å; P80-V95 WeakPolarHBondContact CB-O 3.41Å; L81-V95 PolarHBondContact N-O 2.9Å; L81-V95 PolarHBondContact O-N 2.89Å; D83-V95 HydrophobicContact CB-CG2 4.18Å; V95-R99 HydrophobicContact CG1-CB 4.23Å; V95-R99 HydrophobicContact CG1-CG 4.23Å; V95-V102 HydrophobicContact CG2-CG2 4.43Å
96T94.4Very high82.6Confident2 Ų249.6 Ų49.61%0.01227%0.273CS..  trans-62154.8176.354.20000111S74 F75 N98 R99 Q100 F101S74-T96 VanDerWaalsContact O-CB 3.27Å; S74-T96 WeakPolarHBondContact O-CB 3.4Å; S74-T96 VanDerWaalsContact O-CG2 3.25Å; S74-T96 WeakPolarHBondContact O-CG2 3.41Å; F75-T96 HydrophobicContact CD1-CG2 3.73Å; F75-T96 HydrophobicContact CD2-CG2 4.06Å; F75-T96 HydrophobicContact CE1-CG2 3.45Å; F75-T96 VanDerWaalsContact CE1-CG2 3.45Å; F75-T96 HydrophobicContact CE2-CG2 3.79Å; F75-T96 HydrophobicContact CG-CG2 4.01Å; F75-T96 HydrophobicContact CZ-CG2 3.47Å; F75-T96 VanDerWaalsContact CZ-CG2 3.47Å; T96-N98 WeakPolarHBondContact CB-OD1 3.48Å; T96-N98 PolarHBondContact O-N 2.87Å; T96-N98 PolarHBondContact OG1-OD1 2.82Å; T96-R99 WeakPolarHBondContact O-CA 3.47Å; T96-R99 PolarHBondContact O-N 3.35Å; T96-Q100 PolarHBondContact OG1-N 2.88Å; T96-F101 HydrophobicContact CG2-CB 3.86Å; T96-F101 HydrophobicContact CG2-CD2 4.26Å; T96-F101 PolarHBondContact N-O 3.37Å; T96-F101 PolarHBondContact OG1-N 2.86Å; T96-F101 VanDerWaalsContact OG1-N 3.1Å; T96-F101 PolarHBondContact OG1-O 3.09Å
97Y91.1Very high84.4Confident74 Ų7448.5 Ų48.529%0.2928%0.275SS..THydrogen-bonded Turntrans-58.1-35.8-175.277-87.9000112.3D73 R77 H78 R99D73-Y97 PolarHBondContact OD2-OH 2.81Å; R77-Y97 HydrophobicContact CB-CE1 3.95Å; H78-Y97 HydrophobicContact CB-CD1 3.91Å; H78-Y97 HydrophobicContact CB-CG 3.8Å; H78-Y97 AromaticContact CD2-CD2 3.67Å; H78-Y97 AromaticContact CD2-CE2 3.92Å; H78-Y97 AromaticContact CD2-CG 3.82Å; Y97-R99 VanDerWaalsContact C-N 3.28Å; Y97-R99 PolarHBondContact O-N 2.83Å
98N91.1Very high86.6Confident26 Ų2648.5 Ų48.514%0.13926%0.264CS..THydrogen-bonded Turntrans-84.36.8175.468.3-2.8000114.2S74 T96 Q100 P161S74-N98 PolarHBondContact OG-ND2 3.45Å; T96-N98 WeakPolarHBondContact CB-OD1 3.48Å; T96-N98 PolarHBondContact O-N 2.87Å; T96-N98 PolarHBondContact OG1-OD1 2.82Å; N98-Q100 HydrophobicContact CB-CG 4.47Å; N98-Q100 PolarHBondContact O-N 3.25Å; N98-Q100 PolarHBondContact OD1-N 3.42Å; N98-P161 WeakPolarHBondContact O-CB 3.42Å
99R92.2Very high88.6Confident160 Ų16046.3 Ų46.360%0.60426%0.256SS*.SBendtrans58.49.9178.1-55.1-178.7-179.8-160.61.3116.7V95 T96 Y97 N157 P161V95-R99 HydrophobicContact CG1-CB 4.23Å; V95-R99 HydrophobicContact CG1-CG 4.23Å; T96-R99 WeakPolarHBondContact O-CA 3.47Å; T96-R99 PolarHBondContact O-N 3.35Å; Y97-R99 VanDerWaalsContact C-N 3.28Å; Y97-R99 PolarHBondContact O-N 2.83Å; R99-N157 VanDerWaalsContact O-CB 3.31Å; R99-N157 WeakPolarHBondContact O-CB 3.18Å; R99-N157 PolarHBondContact O-ND2 3.15Å; R99-P161 HydrophobicContact CB-CB 3.97Å
100Q93.6Very high90.6Very high40 Ų4044 Ų4419%0.18724%0.235CC..SBendtrans-73.8-32.2-178.3-65.1-170.315.900114T96 N98 N157 P161 L462T96-Q100 PolarHBondContact OG1-N 2.88Å; N98-Q100 HydrophobicContact CB-CG 4.47Å; N98-Q100 PolarHBondContact O-N 3.25Å; N98-Q100 PolarHBondContact OD1-N 3.42Å; Q100-N157 WeakPolarHBondContact O-CB 3.34Å; Q100-N157 PolarHBondContact O-N 2.65Å; Q100-P161 HydrophobicContact CG-CB 4.4Å; Q100-P161 HydrophobicContact CG-CG 4.27Å; Q100-L462 HydrophobicContact CG-CD2 4.1Å
101F95.6Very high92.2Very high2 Ų240.7 Ų40.71%0.00920%0.2CC..EExtended strand (participates in β ladder)trans-127.3148.6-174.4-51.6-65.5000112.1V66 Y71 S74 F75 T96 L138 V154 M155V66-F101 HydrophobicContact CG1-CE1 4.11Å; V66-F101 HydrophobicContact CG1-CZ 3.84Å; V66-F101 HydrophobicContact CG2-CE1 4.16Å; Y71-F101 HydrophobicContact CD2-CD1 4.45Å; Y71-F101 HydrophobicContact CD2-CD2 4.26Å; Y71-F101 HydrophobicContact CD2-CE1 4.26Å; Y71-F101 HydrophobicContact CD2-CE2 4.07Å; Y71-F101 HydrophobicContact CD2-CG 4.46Å; Y71-F101 HydrophobicContact CD2-CZ 4.07Å; S74-F101 WeakPolarHBondContact OG-CE2 3.44Å; F75-F101 HydrophobicContact CE2-CB 3.77Å; F75-F101 AromaticContact CE2-CD2 3.98Å; F75-F101 HydrophobicContact CE2-CD2 3.98Å; F75-F101 HydrophobicContact CE2-CG 4.07Å; F75-F101 HydrophobicContact CZ-CB 3.75Å; T96-F101 HydrophobicContact CG2-CB 3.86Å; T96-F101 HydrophobicContact CG2-CD2 4.26Å; T96-F101 PolarHBondContact N-O 3.37Å; T96-F101 PolarHBondContact OG1-N 2.86Å; T96-F101 VanDerWaalsContact OG1-N 3.1Å; T96-F101 PolarHBondContact OG1-O 3.09Å; F101-L138 HydrophobicContact CD1-CD1 3.29Å; F101-L138 HydrophobicContact CE1-CD1 3.39Å; F101-L138 HydrophobicContact CG-CD1 4.35Å; F101-V154 HydrophobicContact CB-CG1 4.37Å; F101-M155 WeakPolarHBondContact CA-O 3.34Å
102V94.9Very high93.1Very high17 Ų1745.7 Ų45.710%0.10322%0.222CC..EExtended strand (participates in β ladder)trans-121.1130.3178.2179.10000108.6F93 L94 V95 V154 M155 N157F93-V102 HydrophobicContact CB-CG1 4.44Å; F93-V102 HydrophobicContact CD1-CG1 3.59Å; F93-V102 HydrophobicContact CE1-CG1 4.36Å; F93-V102 HydrophobicContact CG-CG1 4.48Å; L94-V102 CarbonylContact O-C 3.56Å; L94-V102 WeakPolarHBondContact O-CA 3.47Å; V95-V102 HydrophobicContact CG2-CG2 4.43Å; V102-V154 WeakPolarHBondContact O-CA 3.26Å; V102-M155 HydrophobicContact CB-CG 4.3Å; V102-M155 PolarHBondContact N-O 3.27Å; V102-M155 PolarHBondContact O-N 2.82Å; V102-N157 HydrophobicContact CG2-CB 3.82Å
103A95.2Very high93.5Very high5 Ų539.9 Ų39.94%0.04120%0.197CC..EExtended strand (participates in β ladder)trans-110.6108.9175.800000108.8F75 L94 I152 V154F75-A103 HydrophobicContact CE1-CB 4.29Å; L94-A103 HydrophobicContact CB-CB 4.01Å; L94-A103 PolarHBondContact N-O 2.63Å; L94-A103 PolarHBondContact O-N 3.46Å; A103-I152 HydrophobicContact CB-CG2 3.73Å; A103-V154 HydrophobicContact CB-CG2 4.05Å
104K94.2Very high93.8Very high13 Ų1338.3 Ų38.36%0.05719%0.19CC..EExtended strand (participates in β ladder)trans-92.6129.7-179.4-176.8-175173.9-168.10109.7S91 F93 I106 E110 I152 L153 M155 D485S91-K104 WeakPolarHBondContact OG-CE 3.46Å; S91-K104 WeakPolarHBondContact OG-CG 3.49Å; F93-K104 HydrophobicContact CD1-CB 3.93Å; F93-K104 HydrophobicContact CD1-CG 4.05Å; F93-K104 HydrophobicContact CE1-CB 3.78Å; F93-K104 HydrophobicContact CE1-CD 3.83Å; F93-K104 HydrophobicContact CE1-CG 3.57Å; F93-K104 HydrophobicContact CZ-CD 3.97Å; F93-K104 HydrophobicContact CZ-CG 3.93Å; K104-I106 HydrophobicContact CB-CG2 4.41Å; K104-I106 HydrophobicContact CD-CG2 3.85Å; K104-I106 HydrophobicContact CG-CG2 3.92Å; K104-E110 IonicContact NZ-OE1 2.72Å; K104-E110 PolarHBondContact NZ-OE1 3.23Å; K104-I152 WeakPolarHBondContact O-CA 3.28Å; K104-L153 PolarHBondContact N-O 3.42Å; K104-L153 PolarHBondContact O-N 2.87Å; K104-M155 HydrophobicContact CB-CE 3.87Å; K104-M155 HydrophobicContact CD-CE 4.45Å; K104-D485 IonicContact NZ-OD1 2.61Å; K104-D485 PolarHBondContact NZ-OD1 3.32Å
105T94Very high93.9Very high33 Ų3339.9 Ų39.920%0.20220%0.197CC..EExtended strand (participates in β ladder)trans-73.4124.7165.3-53.10000109.2S91 K92 Y151S91-T105 VanDerWaalsContact CB-O 3.31Å; S91-T105 WeakPolarHBondContact CB-O 3.45Å; S91-T105 PolarHBondContact OG-O 2.98Å; K92-T105 PolarHBondContact O-N 3.27Å; T105-Y151 VanDerWaalsContact CA-O 3.3Å; T105-Y151 WeakPolarHBondContact CA-O 3.31Å
106I94.3Very high94Very high9 Ų942 Ų425%0.04621%0.205CC..EExtended strand (participates in β ladder)trans-120.5162.7-178.160.5165.4000111.7K104 E110 V111 L140 Y151 L153 L487K104-I106 HydrophobicContact CB-CG2 4.41Å; K104-I106 HydrophobicContact CD-CG2 3.85Å; K104-I106 HydrophobicContact CG-CG2 3.92Å; I106-E110 WeakPolarHBondContact CA-OE2 3.32Å; I106-E110 HydrophobicContact CB-CB 3.85Å; I106-E110 HydrophobicContact CB-CG 4.48Å; I106-E110 VanDerWaalsContact CB-OE2 3.28Å; I106-E110 WeakPolarHBondContact CB-OE2 3.39Å; I106-E110 HydrophobicContact CD1-CB 4.18Å; I106-E110 HydrophobicContact CG1-CB 4.47Å; I106-V111 HydrophobicContact CD1-CB 4.5Å; I106-V111 HydrophobicContact CD1-CG2 3.52Å; I106-V111 HydrophobicContact CG1-CG2 3.95Å; I106-L140 HydrophobicContact CD1-CD1 3.92Å; I106-Y151 PolarHBondContact N-O 3.01Å; I106-L153 HydrophobicContact CD1-CB 3.93Å; I106-L153 HydrophobicContact CD1-CD2 4.38Å; I106-L153 HydrophobicContact CG1-CB 4.35Å; I106-L153 HydrophobicContact CG2-CB 4.19Å; I106-L487 HydrophobicContact CD1-CD1 4.47Å
107S93.3Very high94Very high42 Ų4241.9 Ų41.929%0.29420%0.204SC..  trans-80.7165.9173.590.10000112.5E109 E110 V111S107-E109 WeakPolarHBondContact CB-OE2 3.36Å; S107-E109 PolarHBondContact O-N 2.69Å; S107-E109 PolarHBondContact OG-N 2.75Å; S107-E109 PolarHBondContact OG-OE2 3.25Å; S107-E110 PolarHBondContact N-OE2 2.86Å; S107-E110 WeakPolarHBondContact O-CB 3.37Å; S107-E110 PolarHBondContact O-N 3.41Å; S107-E110 PolarHBondContact OG-N 3.41Å; S107-V111 WeakPolarHBondContact O-CG2 3.38Å; S107-V111 PolarHBondContact O-N 3.22Å
108S93.1Very high94.2Very high69 Ų6938.4 Ų38.448%0.48319%0.191SC..Hα-helixtrans-62.5-31.2172.747.90000112.5V111 E112S108-V111 WeakPolarHBondContact O-CB 3.38Å; S108-V111 PolarHBondContact O-N 3.08Å; S108-E112 PolarHBondContact O-N 3.11Å
109E91.9Very high94.5Very high85 Ų8541.1 Ų41.140%0.39720%0.202SC..Hα-helixtrans-71.2-33.8174.1-52.1118.3123.600112.2S107 V111 E112 Q113 R493S107-E109 WeakPolarHBondContact CB-OE2 3.36Å; S107-E109 PolarHBondContact O-N 2.69Å; S107-E109 PolarHBondContact OG-N 2.75Å; S107-E109 PolarHBondContact OG-OE2 3.25Å; E109-V111 VanDerWaalsContact C-N 3.32Å; E109-E112 PolarHBondContact O-N 3.02Å; E109-Q113 WeakPolarHBondContact O-CB 3.49Å; E109-Q113 PolarHBondContact O-N 2.76Å; E109-R493 IonicContact OE1-CZ 3.39Å; E109-R493 IonicContact OE1-NH1 2.75Å; E109-R493 PolarHBondContact OE1-NH1 2.79Å; E109-R493 IonicContact OE1-NH2 2.79Å; E109-R493 PolarHBondContact OE1-NH2 2.71Å
110E94.3Very high94.7Very high36 Ų3637.7 Ų37.717%0.16819%0.193CC..Hα-helixtrans-66.5-33.3170.9-79-178.8114.100111.6K104 I106 S107 M114 L487K104-E110 IonicContact NZ-OE1 2.72Å; K104-E110 PolarHBondContact NZ-OE1 3.23Å; I106-E110 WeakPolarHBondContact CA-OE2 3.32Å; I106-E110 HydrophobicContact CB-CB 3.85Å; I106-E110 HydrophobicContact CB-CG 4.48Å; I106-E110 VanDerWaalsContact CB-OE2 3.28Å; I106-E110 WeakPolarHBondContact CB-OE2 3.39Å; I106-E110 HydrophobicContact CD1-CB 4.18Å; I106-E110 HydrophobicContact CG1-CB 4.47Å; S107-E110 PolarHBondContact N-OE2 2.86Å; S107-E110 WeakPolarHBondContact O-CB 3.37Å; S107-E110 PolarHBondContact O-N 3.41Å; S107-E110 PolarHBondContact OG-N 3.41Å; E110-M114 WeakPolarHBondContact O-CB 3.28Å; E110-M114 PolarHBondContact O-N 2.61Å; E110-L487 HydrophobicContact CB-CB 4.32Å; E110-L487 HydrophobicContact CB-CD1 3.96Å; E110-L487 HydrophobicContact CG-CB 4.04Å; E110-L487 HydrophobicContact CG-CD1 4.31Å
111V96.1Very high94.9Very high9 Ų935.8 Ų35.86%0.05518%0.184CC..Hα-helixtrans-67.8-46.1173.9173.90000111.1I106 S107 S108 E109 Q113 M114 H115 L140 Y151I106-V111 HydrophobicContact CD1-CB 4.5Å; I106-V111 HydrophobicContact CD1-CG2 3.52Å; I106-V111 HydrophobicContact CG1-CG2 3.95Å; S107-V111 WeakPolarHBondContact O-CG2 3.38Å; S107-V111 PolarHBondContact O-N 3.22Å; S108-V111 WeakPolarHBondContact O-CB 3.38Å; S108-V111 PolarHBondContact O-N 3.08Å; E109-V111 VanDerWaalsContact C-N 3.32Å; V111-Q113 VanDerWaalsContact C-N 3.31Å; V111-Q113 PolarHBondContact O-N 3.18Å; V111-M114 WeakPolarHBondContact O-CB 3.46Å; V111-M114 PolarHBondContact O-N 3Å; V111-H115 PolarHBondContact O-CD2 2.98Å; V111-H115 PolarHBondContact O-N 3.07Å; V111-L140 HydrophobicContact CG1-CD2 4.42Å; V111-L140 HydrophobicContact CG2-CD1 4.41Å; V111-Y151 HydrophobicContact CB-CD1 4.39Å; V111-Y151 HydrophobicContact CG1-CD1 4.35Å; V111-Y151 HydrophobicContact CG2-CD1 3.45Å; V111-Y151 VanDerWaalsContact CG2-CD1 3.45Å; V111-Y151 HydrophobicContact CG2-CE1 4.19Å; V111-Y151 HydrophobicContact CG2-CG 3.67Å
112E94.9Very high95Very high117 Ų11737.2 Ų37.255%0.54719%0.19SC..Hα-helixtrans-58.7-45.2175.1-164.3-159.8154.500110.5S108 E109 M114 H115 Q116S108-E112 PolarHBondContact O-N 3.11Å; E109-E112 PolarHBondContact O-N 3.02Å; E112-M114 PolarHBondContact O-N 3.1Å; E112-H115 PolarHBondContact O-N 3Å; E112-Q116 WeakPolarHBondContact O-CG 3.34Å; E112-Q116 PolarHBondContact O-N 3.4Å; E112-Q116 PolarHBondContact OE1-NE2 3.18Å
113Q94Very high95.1Very high12 Ų1238.7 Ų38.76%0.05620%0.201CC..Hα-helixtrans-64.9-37176.3-176.952.560.600112.7E109 V111 H115 Q116 M117 L290 L487 R489E109-Q113 WeakPolarHBondContact O-CB 3.49Å; E109-Q113 PolarHBondContact O-N 2.76Å; V111-Q113 VanDerWaalsContact C-N 3.31Å; V111-Q113 PolarHBondContact O-N 3.18Å; Q113-H115 VanDerWaalsContact C-N 3.35Å; Q113-Q116 PolarHBondContact O-N 2.88Å; Q113-M117 WeakPolarHBondContact O-CG 3.37Å; Q113-M117 PolarHBondContact O-N 3.48Å; Q113-L290 HydrophobicContact CG-CD2 4.13Å; Q113-L487 WeakPolarHBondContact CG-O 3.33Å; Q113-R489 HydrophobicContact CG-CB 4.49Å
114M95.8Very high95.2Very high1 Ų140.4 Ų40.41%0.00521%0.207CC..Hα-helixtrans-60.6-45.3174.4-174.867.3-142.500110.7F57 E110 V111 E112 M117 L118 F137 L140 L153 L487F57-M114 HydrophobicContact CE1-CE 4.46Å; F57-M114 HydrophobicContact CZ-CE 4.28Å; E110-M114 WeakPolarHBondContact O-CB 3.28Å; E110-M114 PolarHBondContact O-N 2.61Å; V111-M114 WeakPolarHBondContact O-CB 3.46Å; V111-M114 PolarHBondContact O-N 3Å; E112-M114 PolarHBondContact O-N 3.1Å; M114-M117 HydrophobicContact CE-CE 4.33Å; M114-M117 PolarHBondContact O-N 3.09Å; M114-M117 HydrophobicContact SD-CE 3.8Å; M114-L118 HydrophobicContact CE-CD1 3.58Å; M114-L118 WeakPolarHBondContact O-CB 3.31Å; M114-L118 PolarHBondContact O-N 2.89Å; M114-L118 VanDerWaalsContact O-N 3.11Å; M114-F137 HydrophobicContact CE-CB 4.48Å; M114-F137 HydrophobicContact CE-CD2 3.6Å; M114-F137 HydrophobicContact CE-CE2 4.04Å; M114-F137 HydrophobicContact CE-CG 4.2Å; M114-F137 HydrophobicContact SD-CD2 3.93Å; M114-F137 HydrophobicContact SD-CE2 3.87Å; M114-F137 HydrophobicContact SD-CG 4.41Å; M114-F137 HydrophobicContact SD-CZ 4.31Å; M114-L140 HydrophobicContact CB-CD2 4.43Å; M114-L140 HydrophobicContact CG-CD2 4.01Å; M114-L153 HydrophobicContact SD-CD1 4.44Å; M114-L153 HydrophobicContact SD-CD2 4.48Å; M114-L487 HydrophobicContact CB-CD2 4.19Å; M114-L487 HydrophobicContact SD-CD2 3.95Å
115H95.5Very high95.3Very high58 Ų5839.9 Ų39.927%0.26921%0.205SC..Hα-helixtrans-63.2-40.1174.3-85.2-79.2000112.9Y52 C53 V111 E112 Q113 M117 L118Y52-H115 AromaticContact CD1-CE1 3.74Å; Y52-H115 AromaticContact CD1-NE2 3.14Å; Y52-H115 WeakPolarHBondContact CD1-NE2 3.43Å; Y52-H115 AromaticContact CE1-NE2 3.8Å; Y52-H115 AromaticContact CG-NE2 3.69Å; C53-H115 PolarHBondContact SG-CE1 2.9Å; V111-H115 PolarHBondContact O-CD2 2.98Å; V111-H115 PolarHBondContact O-N 3.07Å; E112-H115 PolarHBondContact O-N 3Å; Q113-H115 VanDerWaalsContact C-N 3.35Å; H115-M117 PolarHBondContact O-N 2.86Å; H115-L118 PolarHBondContact O-N 2.87Å
116Q93.9Very high95.4Very high71 Ų7140.6 Ų40.633%0.33221%0.208SC..Hα-helixtrans-64.9-18.6179.1-75177.12700114.5E112 Q113E112-Q116 WeakPolarHBondContact O-CG 3.34Å; E112-Q116 PolarHBondContact O-N 3.4Å; E112-Q116 PolarHBondContact OE1-NE2 3.18Å; Q113-Q116 PolarHBondContact O-N 2.88Å
117M94.6Very high95.4Very high0 Ų047.5 Ų47.50%024%0.238CC..Hα-helixtrans-118.71.4-178.975.6-176.7-150.500114Q113 M114 H115 Y121 F137 L290 I486 L487Q113-M117 WeakPolarHBondContact O-CG 3.37Å; Q113-M117 PolarHBondContact O-N 3.48Å; M114-M117 HydrophobicContact CE-CE 4.33Å; M114-M117 PolarHBondContact O-N 3.09Å; M114-M117 HydrophobicContact SD-CE 3.8Å; H115-M117 PolarHBondContact O-N 2.86Å; M117-Y121 WeakPolarHBondContact O-CB 3.25Å; M117-Y121 PolarHBondContact O-N 2.97Å; M117-F137 HydrophobicContact CE-CE2 3.71Å; M117-F137 HydrophobicContact CE-CZ 4.29Å; M117-L290 HydrophobicContact SD-CD1 3.71Å; M117-L290 HydrophobicContact SD-CD2 4.46Å; M117-I486 HydrophobicContact CE-CD1 3.85Å; M117-I486 HydrophobicContact CE-CG1 4.28Å; M117-L487 HydrophobicContact CE-CD2 3.48Å; M117-L487 VanDerWaalsContact CE-CD2 3.48Å; M117-L487 HydrophobicContact SD-CD2 3.97Å
118L96.9Very high95.3Very high2 Ų247 Ų471%0.0124%0.239CC..Hα-helixtrans-70.1-34.7-170.7-178.264.8000112.7F25 C53 V56 F57 L60 M114 H115 Y122F25-L118 HydrophobicContact CD1-CB 4.36Å; F25-L118 HydrophobicContact CD1-CD2 4.04Å; F25-L118 HydrophobicContact CD1-CG 3.84Å; F25-L118 HydrophobicContact CE1-CG 4.19Å; C53-L118 HydrophobicContact CB-CD2 3.69Å; C53-L118 WeakPolarHBondContact SG-CD2 3.32Å; V56-L118 HydrophobicContact CB-CD2 4.44Å; V56-L118 HydrophobicContact CG1-CD1 4.05Å; V56-L118 HydrophobicContact CG1-CD2 4.13Å; V56-L118 HydrophobicContact CG1-CG 4.07Å; F57-L118 HydrophobicContact CE1-CD1 4.49Å; F57-L118 HydrophobicContact CE2-CD2 4.48Å; F57-L118 HydrophobicContact CZ-CD1 4.2Å; L60-L118 HydrophobicContact CD1-CD1 4.3Å; M114-L118 HydrophobicContact CE-CD1 3.58Å; M114-L118 WeakPolarHBondContact O-CB 3.31Å; M114-L118 PolarHBondContact O-N 2.89Å; M114-L118 VanDerWaalsContact O-N 3.11Å; H115-L118 PolarHBondContact O-N 2.87Å; L118-Y122 VanDerWaalsContact O-CB 3.26Å; L118-Y122 WeakPolarHBondContact O-CB 3.27Å; L118-Y122 PolarHBondContact O-N 3.12Å
119E96.5Very high95.3Very high82 Ų8251.3 Ų51.338%0.38325%0.252SS..Hα-helixtrans-68.3-45.8178.8-165.5174.116100110K22 F25 S123K22-E119 IonicContact NZ-OE1 3.51Å; K22-E119 IonicContact NZ-OE2 3.32Å; K22-E119 PolarHBondContact NZ-OE2 2.84Å; F25-E119 HydrophobicContact CD1-CB 4.11Å; F25-E119 HydrophobicContact CE1-CB 4.26Å; F25-E119 HydrophobicContact CE1-CG 4.48Å; E119-S123 WeakPolarHBondContact O-CB 3.46Å; E119-S123 PolarHBondContact O-N 2.91Å
120E96.3Very high95.2Very high89 Ų8947.5 Ų47.542%0.41624%0.235SC..Hα-helixtrans-65.2-46.8175.2-65.574.4-167.300111.7S123 Y124 F284E120-S123 WeakPolarHBondContact O-CB 3.4Å; E120-S123 PolarHBondContact O-N 2.73Å; E120-Y124 WeakPolarHBondContact O-CB 3.39Å; E120-Y124 PolarHBondContact O-N 2.79Å; E120-F284 HydrophobicContact CB-CE2 4.05Å
121Y97.7Very high95.1Very high0 Ų050.5 Ų50.50%025%0.249CC..Hα-helixtrans-59.7-48.5176.7175.3-95.8000110.9L60 F64 M117 S123 Y124 I125 P135 F137 F284L60-Y121 HydrophobicContact CD1-CD1 4.3Å; L60-Y121 HydrophobicContact CD1-CE1 3.95Å; L60-Y121 HydrophobicContact CD2-CD1 4.31Å; L60-Y121 HydrophobicContact CD2-CE1 3.87Å; F64-Y121 HydrophobicContact CZ-CE1 4.49Å; F64-Y121 WeakPolarHBondContact CZ-OH 3.36Å; M117-Y121 WeakPolarHBondContact O-CB 3.25Å; M117-Y121 PolarHBondContact O-N 2.97Å; Y121-S123 VanDerWaalsContact C-N 3.33Å; Y121-S123 PolarHBondContact O-N 3.3Å; Y121-Y124 WeakPolarHBondContact O-CB 3.35Å; Y121-Y124 PolarHBondContact O-N 3.01Å; Y121-Y124 VanDerWaalsContact O-N 3.16Å; Y121-I125 HydrophobicContact CD1-CG1 4.14Å; Y121-I125 HydrophobicContact CD2-CG1 4.42Å; Y121-I125 HydrophobicContact CE1-CG1 3.78Å; Y121-I125 HydrophobicContact CE2-CD1 4.09Å; Y121-I125 HydrophobicContact CE2-CG1 4.1Å; Y121-I125 HydrophobicContact CG-CG1 4.45Å; Y121-I125 WeakPolarHBondContact O-CG1 3.21Å; Y121-I125 PolarHBondContact O-N 3.32Å; Y121-P135 PolarHBondContact OH-O 2.93Å; Y121-F137 HydrophobicContact CD1-CD2 4.36Å; Y121-F137 HydrophobicContact CD2-CD2 4.4Å; Y121-F137 HydrophobicContact CD2-CE2 4.4Å; Y121-F137 HydrophobicContact CE1-CB 4.43Å; Y121-F137 AromaticContact CE1-CD2 3.79Å; Y121-F137 HydrophobicContact CE1-CD2 3.79Å; Y121-F137 AromaticContact CE2-CD2 3.81Å; Y121-F137 HydrophobicContact CE2-CD2 3.81Å; Y121-F137 AromaticContact CE2-CE2 3.96Å; Y121-F137 HydrophobicContact CE2-CE2 3.96Å; Y121-F137 AromaticContact CZ-CD2 3.47Å; Y121-F137 VanDerWaalsContact CZ-CD2 3.47Å; Y121-F137 PolarHBondContact OH-N 3.39Å; Y121-F137 VanDerWaalsContact OH-N 3.07Å; Y121-F284 HydrophobicContact CD2-CE1 4.34Å; Y121-F284 HydrophobicContact CD2-CZ 4.2Å
122Y97.3Very high95.1Very high32 Ų3250.2 Ų50.213%0.12525%0.247CC..Hα-helixtrans-59.3-44.9176.2178.1-95.2000111.5L20 F25 V56 S59 L60 R63 L118 Y124 I125 V126L20-Y122 HydrophobicContact CD1-CD1 4.31Å; L20-Y122 HydrophobicContact CD1-CD2 4.09Å; L20-Y122 HydrophobicContact CD1-CE1 3.8Å; L20-Y122 HydrophobicContact CD1-CE2 3.57Å; L20-Y122 HydrophobicContact CD1-CG 4.44Å; F25-Y122 HydrophobicContact CE1-CD1 4.44Å; F25-Y122 HydrophobicContact CE1-CG 4.19Å; F25-Y122 AromaticContact CZ-CD1 3.83Å; F25-Y122 HydrophobicContact CZ-CD1 3.83Å; F25-Y122 AromaticContact CZ-CG 3.99Å; F25-Y122 HydrophobicContact CZ-CG 3.99Å; V56-Y122 HydrophobicContact CG1-CD2 4.11Å; V56-Y122 HydrophobicContact CG1-CG 4.44Å; S59-Y122 PolarHBondContact OG-OH 2.67Å; L60-Y122 HydrophobicContact CD2-CD2 3.86Å; L60-Y122 HydrophobicContact CG-CD2 4.1Å; R63-Y122 PolarHBondContact NE-OH 3.04Å; R63-Y122 PolarHBondContact NH2-OH 2.78Å; L118-Y122 VanDerWaalsContact O-CB 3.26Å; L118-Y122 WeakPolarHBondContact O-CB 3.27Å; L118-Y122 PolarHBondContact O-N 3.12Å; Y122-Y124 VanDerWaalsContact C-N 3.32Å; Y122-Y124 PolarHBondContact O-N 2.78Å; Y122-I125 PolarHBondContact O-N 2.8Å; Y122-V126 HydrophobicContact CD1-CG2 3.92Å; Y122-V126 HydrophobicContact CE1-CG2 3.56Å; Y122-V126 HydrophobicContact CE2-CG2 4.19Å; Y122-V126 HydrophobicContact CG-CG2 4.39Å; Y122-V126 WeakPolarHBondContact O-CG2 3.31Å; Y122-V126 PolarHBondContact O-N 3.22Å
123S96.5Very high95.2Very high48 Ų4845.4 Ų45.434%0.33623%0.225SC..Hα-helixtrans-58.5-41.3175-170.50000112.5E119 E120 Y121 V126 K127E119-S123 WeakPolarHBondContact O-CB 3.46Å; E119-S123 PolarHBondContact O-N 2.91Å; E120-S123 WeakPolarHBondContact O-CB 3.4Å; E120-S123 PolarHBondContact O-N 2.73Å; Y121-S123 VanDerWaalsContact C-N 3.33Å; Y121-S123 PolarHBondContact O-N 3.3Å; S123-V126 PolarHBondContact O-N 2.83Å; S123-K127 WeakPolarHBondContact O-CD 3.47Å; S123-K127 VanDerWaalsContact O-CG 3.27Å; S123-K127 WeakPolarHBondContact O-CG 3.41Å; S123-K127 PolarHBondContact O-N 2.97Å; S123-K127 VanDerWaalsContact O-N 3.11Å; S123-K127 PolarHBondContact OG-NZ 3.21Å
124Y97.2Very high95.4Very high41 Ų4144.8 Ų44.816%0.16122%0.222CC..Hα-helixtrans-64.3-49.3176.2-176.5-101000112E120 Y121 Y122 V126 K127 G128 L134 C280 D281 F284E120-Y124 WeakPolarHBondContact O-CB 3.39Å; E120-Y124 PolarHBondContact O-N 2.79Å; Y121-Y124 WeakPolarHBondContact O-CB 3.35Å; Y121-Y124 PolarHBondContact O-N 3.01Å; Y121-Y124 VanDerWaalsContact O-N 3.16Å; Y122-Y124 VanDerWaalsContact C-N 3.32Å; Y122-Y124 PolarHBondContact O-N 2.78Å; Y124-V126 VanDerWaalsContact C-N 3.31Å; Y124-V126 PolarHBondContact O-N 3.49Å; Y124-K127 PolarHBondContact O-N 3.23Å; Y124-G128 PolarHBondContact O-N 3.48Å; Y124-L134 HydrophobicContact CD1-CD1 3.94Å; Y124-L134 HydrophobicContact CE1-CD1 3.67Å; Y124-C280 WeakPolarHBondContact OH-CB 3.39Å; Y124-C280 PolarHBondContact OH-O 3.13Å; Y124-D281 WeakPolarHBondContact CE1-OD1 3.24Å; Y124-D281 WeakPolarHBondContact OH-CA 3.45Å; Y124-D281 PolarHBondContact OH-N 3.23Å; Y124-D281 VanDerWaalsContact OH-N 3.1Å; Y124-D281 PolarHBondContact OH-OD1 3.3Å; Y124-F284 HydrophobicContact CD1-CD2 4.35Å; Y124-F284 HydrophobicContact CD1-CG 4.28Å; Y124-F284 HydrophobicContact CD2-CB 3.88Å; Y124-F284 AromaticContact CD2-CD2 3.87Å; Y124-F284 HydrophobicContact CD2-CD2 3.87Å; Y124-F284 HydrophobicContact CD2-CG 4.06Å; Y124-F284 HydrophobicContact CE2-CB 3.82Å; Y124-F284 HydrophobicContact CE2-CG 4.42Å; Y124-F284 HydrophobicContact CG-CB 4.3Å; Y124-F284 AromaticContact CG-CD2 3.72Å; Y124-F284 HydrophobicContact CG-CD2 3.72Å; Y124-F284 HydrophobicContact CG-CE2 4.29Å; Y124-F284 HydrophobicContact CG-CG 4.01Å
125I97.2Very high95.4Very high2 Ų245.2 Ų45.21%0.0123%0.225CC..Hα-helixtrans-60.8-37.8177-64.4-52.2000112.2L60 R63 F64 Y121 Y122 H129 G130 T132L60-I125 HydrophobicContact CD2-CB 4.21Å; L60-I125 HydrophobicContact CD2-CG1 4.24Å; L60-I125 HydrophobicContact CD2-CG2 4.01Å; R63-I125 HydrophobicContact CB-CG2 4.33Å; F64-I125 HydrophobicContact CD1-CG2 4.42Å; F64-I125 HydrophobicContact CE1-CD1 3.81Å; F64-I125 HydrophobicContact CE1-CG1 4.19Å; F64-I125 HydrophobicContact CE1-CG2 3.62Å; F64-I125 HydrophobicContact CZ-CB 4.42Å; F64-I125 HydrophobicContact CZ-CD1 3.73Å; F64-I125 HydrophobicContact CZ-CG1 3.78Å; F64-I125 HydrophobicContact CZ-CG2 3.72Å; Y121-I125 HydrophobicContact CD1-CG1 4.14Å; Y121-I125 HydrophobicContact CD2-CG1 4.42Å; Y121-I125 HydrophobicContact CE1-CG1 3.78Å; Y121-I125 HydrophobicContact CE2-CD1 4.09Å; Y121-I125 HydrophobicContact CE2-CG1 4.1Å; Y121-I125 HydrophobicContact CG-CG1 4.45Å; Y121-I125 WeakPolarHBondContact O-CG1 3.21Å; Y121-I125 PolarHBondContact O-N 3.32Å; Y122-I125 PolarHBondContact O-N 2.8Å; I125-H129 PolarHBondContact O-N 3.42Å; I125-H129 VanDerWaalsContact O-N 3.16Å; I125-G130 PolarHBondContact O-N 3.18Å; I125-T132 HydrophobicContact CD1-CG2 3.6Å
126V95.3Very high95.5Very high47 Ų4742.5 Ų42.529%0.28521%0.212SC..Hα-helixtrans-62.8-47.7175.2174.70000110.9Y122 S123 Y124 H129Y122-V126 HydrophobicContact CD1-CG2 3.92Å; Y122-V126 HydrophobicContact CE1-CG2 3.56Å; Y122-V126 HydrophobicContact CE2-CG2 4.19Å; Y122-V126 HydrophobicContact CG-CG2 4.39Å; Y122-V126 WeakPolarHBondContact O-CG2 3.31Å; Y122-V126 PolarHBondContact O-N 3.22Å; S123-V126 PolarHBondContact O-N 2.83Å; Y124-V126 VanDerWaalsContact C-N 3.31Å; Y124-V126 PolarHBondContact O-N 3.49Å; V126-H129 PolarHBondContact O-N 3.42Å
127K94.9Very high95.7Very high155 Ų15539.3 Ų39.367%0.67420%0.197SC*.Hα-helixtrans-68.1-41.1-179-70165.7-175.6171.30112.6S123 Y124 H129S123-K127 WeakPolarHBondContact O-CD 3.47Å; S123-K127 VanDerWaalsContact O-CG 3.27Å; S123-K127 WeakPolarHBondContact O-CG 3.41Å; S123-K127 PolarHBondContact O-N 2.97Å; S123-K127 VanDerWaalsContact O-N 3.11Å; S123-K127 PolarHBondContact OG-NZ 3.21Å; Y124-K127 PolarHBondContact O-N 3.23Å; K127-H129 VanDerWaalsContact C-N 3.28Å; K127-H129 PolarHBondContact O-N 3.44Å
128G92.4Very high95.9Very high30 Ų3039.3 Ų39.331%0.30920%0.197SC..THydrogen-bonded Turntrans-81.73178.900000114.7Y124 G130 Q131Y124-G128 PolarHBondContact O-N 3.48Å; G128-G130 PolarHBondContact O-N 3.4Å; G128-G130 VanDerWaalsContact O-N 3.14Å; G128-Q131 WeakPolarHBondContact O-CB 3.26Å; G128-Q131 PolarHBondContact O-N 2.81Å
129H92.6Very high95.9Very high161 Ų16139.2 Ų39.275%0.74520%0.197SC*.THydrogen-bonded Turntrans50.136.9-175.1-59.8-81.6000113.6I125 V126 K127 Q131I125-H129 PolarHBondContact O-N 3.42Å; I125-H129 VanDerWaalsContact O-N 3.16Å; V126-H129 PolarHBondContact O-N 3.42Å; K127-H129 VanDerWaalsContact C-N 3.28Å; K127-H129 PolarHBondContact O-N 3.44Å; H129-Q131 PolarHBondContact O-N 2.82Å
130G89.5Confident96Very high4 Ų435.4 Ų35.44%0.04118%0.179CC..THydrogen-bonded Turntrans700.6-176.100000116I125 G128 T132 H464I125-G130 PolarHBondContact O-N 3.18Å; G128-G130 PolarHBondContact O-N 3.4Å; G128-G130 VanDerWaalsContact O-N 3.14Å; G130-T132 PolarHBondContact O-N 3.02Å; G130-T132 VanDerWaalsContact O-N 3.15Å; G130-H464 PolarHBondContact O-CE1 2.83Å; G130-H464 VanDerWaalsContact O-CE1 3.28Å
131Q92.1Very high96.1Very high100 Ų10031.5 Ų31.547%0.46716%0.16SC..  trans-81.589.9176.5-61.3-64.8-71.300110.1G128 H129G128-Q131 WeakPolarHBondContact O-CB 3.26Å; G128-Q131 PolarHBondContact O-N 2.81Å; H129-Q131 PolarHBondContact O-N 2.82Å
132T96.3Very high96.1Very high3 Ų332.6 Ų32.62%0.01817%0.165CC..  trans-147.7152.9-178.5176.20000110.2I125 G130 L134 D281 H464I125-T132 HydrophobicContact CD1-CG2 3.6Å; G130-T132 PolarHBondContact O-N 3.02Å; G130-T132 VanDerWaalsContact O-N 3.15Å; T132-L134 HydrophobicContact CG2-CB 4.3Å; T132-L134 VanDerWaalsContact OG1-CB 3.26Å; T132-L134 WeakPolarHBondContact OG1-CB 3.44Å; T132-L134 VanDerWaalsContact OG1-CG 3.27Å; T132-L134 WeakPolarHBondContact OG1-CG 3.22Å; T132-L134 PolarHBondContact OG1-N 2.87Å; T132-D281 WeakPolarHBondContact CB-OD1 3.32Å; T132-D281 VanDerWaalsContact OG1-CG 3.22Å; T132-D281 PolarHBondContact OG1-OD1 2.96Å; T132-D281 PolarHBondContact OG1-OD2 3.07Å; T132-H464 PolarHBondContact O-NE2 2.82Å
133L96.8Very high96Very high15 Ų1534 Ų348%0.07917%0.174CC..SBendtrans-87.9-7.8168-53.9177.6000112M274 T277 L278 D281 A482 I483L133-M274 HydrophobicContact CD1-CG 4.22Å; L133-T277 HydrophobicContact CG-CG2 4.04Å; L133-L278 HydrophobicContact CD1-CB 3.95Å; L133-L278 HydrophobicContact CD1-CD1 4.2Å; L133-D281 WeakPolarHBondContact CA-OD2 3.26Å; L133-D281 VanDerWaalsContact CB-OD2 3.26Å; L133-D281 WeakPolarHBondContact CB-OD2 3.21Å; L133-D281 PolarHBondContact N-OD2 2.87Å; L133-A482 CarbonylContact O-C 3.56Å; L133-A482 WeakPolarHBondContact O-CA 3.48Å; L133-I483 HydrophobicContact CB-CG1 4.24Å; L133-I483 PolarHBondContact O-N 2.83Å
134L97.5Very high96Very high0 Ų032 Ų320%016%0.16CC..SBendtrans-61.4158173-62.4171.1000111.2Y124 T132 Q136 D281 F284 L285 Y465 I483 I486Y124-L134 HydrophobicContact CD1-CD1 3.94Å; Y124-L134 HydrophobicContact CE1-CD1 3.67Å; T132-L134 HydrophobicContact CG2-CB 4.3Å; T132-L134 VanDerWaalsContact OG1-CB 3.26Å; T132-L134 WeakPolarHBondContact OG1-CB 3.44Å; T132-L134 VanDerWaalsContact OG1-CG 3.27Å; T132-L134 WeakPolarHBondContact OG1-CG 3.22Å; T132-L134 PolarHBondContact OG1-N 2.87Å; L134-Q136 PolarHBondContact O-N 2.94Å; L134-D281 HydrophobicContact CD2-CB 4.22Å; L134-D281 HydrophobicContact CG-CB 4.04Å; L134-F284 HydrophobicContact CD1-CD1 3.6Å; L134-F284 HydrophobicContact CD1-CE1 3.98Å; L134-F284 HydrophobicContact CD1-CG 4.38Å; L134-L285 HydrophobicContact CD2-CD1 3.86Å; L134-L285 HydrophobicContact CD2-CD2 3.87Å; L134-L285 HydrophobicContact CD2-CG 3.94Å; L134-Y465 PolarHBondContact O-OH 3.27Å; L134-I483 HydrophobicContact CD2-CB 4.39Å; L134-I483 HydrophobicContact CD2-CD1 4.02Å; L134-I486 HydrophobicContact CD2-CD1 4.26Å; L134-I486 HydrophobicContact CD2-CG2 4.25Å
135P97.4Very high95.8Very high9 Ų932.6 Ų32.66%0.05817%0.168CC..  trans-59.3129.1171.9-20.232.4000110.5Y121 F137 M155 I483 I486Y121-P135 PolarHBondContact OH-O 2.93Å; P135-F137 HydrophobicContact CB-CD1 4.2Å; P135-F137 HydrophobicContact CB-CE1 3.65Å; P135-F137 HydrophobicContact CB-CZ 3.9Å; P135-F137 HydrophobicContact CG-CE1 4.29Å; P135-F137 HydrophobicContact CG-CZ 4.19Å; P135-F137 PolarHBondContact O-N 2.82Å; P135-M155 HydrophobicContact CB-SD 4.26Å; P135-I483 VanDerWaalsContact CD-O 3.25Å; P135-I483 WeakPolarHBondContact CD-O 3.23Å; P135-I483 VanDerWaalsContact CG-O 3.31Å; P135-I483 WeakPolarHBondContact CG-O 3.45Å; P135-I486 HydrophobicContact CG-CD1 4.46Å; P135-I486 HydrophobicContact CG-CG1 4.38Å
136Q97.5Very high95.3Very high2 Ų238.3 Ų38.31%0.00920%0.198CC..  trans-80.2100.4172-67-174-5.700109.3F64 L134 L138 M155 R156 H464 Y465F64-Q136 HydrophobicContact CD1-CB 4.1Å; F64-Q136 HydrophobicContact CD1-CG 3.6Å; F64-Q136 HydrophobicContact CD2-CB 3.86Å; F64-Q136 HydrophobicContact CD2-CG 4.3Å; F64-Q136 HydrophobicContact CE1-CB 4.04Å; F64-Q136 HydrophobicContact CE1-CG 3.52Å; F64-Q136 HydrophobicContact CE2-CB 3.78Å; F64-Q136 HydrophobicContact CE2-CG 4.21Å; F64-Q136 HydrophobicContact CG-CB 4.02Å; F64-Q136 HydrophobicContact CG-CG 4Å; F64-Q136 HydrophobicContact CZ-CB 3.87Å; F64-Q136 HydrophobicContact CZ-CG 3.84Å; L134-Q136 PolarHBondContact O-N 2.94Å; Q136-L138 WeakPolarHBondContact O-CG 3.46Å; Q136-M155 CarbonylContact O-C 3.45Å; Q136-M155 WeakPolarHBondContact O-CA 3.47Å; Q136-M155 WeakPolarHBondContact O-CB 3.38Å; Q136-R156 HydrophobicContact CB-CB 4.06Å; Q136-R156 PolarHBondContact O-N 3.25Å; Q136-R156 VanDerWaalsContact O-N 3.08Å; Q136-H464 PolarHBondContact NE2-CD2 3.21Å; Q136-H464 PolarHBondContact NE2-CE1 2.85Å; Q136-H464 PolarHBondContact NE2-ND1 3.11Å; Q136-H464 PolarHBondContact NE2-NE2 3.18Å; Q136-Y465 PolarHBondContact N-OH 3.19Å
137F98Very high94.8Very high4 Ų442.1 Ų42.12%0.01822%0.217CC..EExtended strand (participates in β ladder)trans-81.5131.6-179-56.3-58.1000111.9F57 M114 M117 Y121 P135 L153 M155 I486F57-F137 HydrophobicContact CE1-CB 3.97Å; M114-F137 HydrophobicContact CE-CB 4.48Å; M114-F137 HydrophobicContact CE-CD2 3.6Å; M114-F137 HydrophobicContact CE-CE2 4.04Å; M114-F137 HydrophobicContact CE-CG 4.2Å; M114-F137 HydrophobicContact SD-CD2 3.93Å; M114-F137 HydrophobicContact SD-CE2 3.87Å; M114-F137 HydrophobicContact SD-CG 4.41Å; M114-F137 HydrophobicContact SD-CZ 4.31Å; M117-F137 HydrophobicContact CE-CE2 3.71Å; M117-F137 HydrophobicContact CE-CZ 4.29Å; Y121-F137 HydrophobicContact CD1-CD2 4.36Å; Y121-F137 HydrophobicContact CD2-CD2 4.4Å; Y121-F137 HydrophobicContact CD2-CE2 4.4Å; Y121-F137 HydrophobicContact CE1-CB 4.43Å; Y121-F137 AromaticContact CE1-CD2 3.79Å; Y121-F137 HydrophobicContact CE1-CD2 3.79Å; Y121-F137 AromaticContact CE2-CD2 3.81Å; Y121-F137 HydrophobicContact CE2-CD2 3.81Å; Y121-F137 AromaticContact CE2-CE2 3.96Å; Y121-F137 HydrophobicContact CE2-CE2 3.96Å; Y121-F137 AromaticContact CZ-CD2 3.47Å; Y121-F137 VanDerWaalsContact CZ-CD2 3.47Å; Y121-F137 PolarHBondContact OH-N 3.39Å; Y121-F137 VanDerWaalsContact OH-N 3.07Å; P135-F137 HydrophobicContact CB-CD1 4.2Å; P135-F137 HydrophobicContact CB-CE1 3.65Å; P135-F137 HydrophobicContact CB-CZ 3.9Å; P135-F137 HydrophobicContact CG-CE1 4.29Å; P135-F137 HydrophobicContact CG-CZ 4.19Å; P135-F137 PolarHBondContact O-N 2.82Å; F137-L153 HydrophobicContact CB-CD1 4.37Å; F137-L153 HydrophobicContact CD1-CD1 3.88Å; F137-L153 HydrophobicContact CD1-CD2 3.76Å; F137-L153 HydrophobicContact CD1-CG 3.87Å; F137-L153 HydrophobicContact CE1-CD1 4.49Å; F137-L153 HydrophobicContact CE1-CD2 3.54Å; F137-L153 HydrophobicContact CE1-CG 4.15Å; F137-L153 HydrophobicContact CG-CD1 4.28Å; F137-L153 HydrophobicContact CZ-CD2 4.3Å; F137-M155 HydrophobicContact CD1-CB 4.24Å; F137-M155 HydrophobicContact CD1-CE 4.43Å; F137-M155 HydrophobicContact CE1-CE 4.21Å; F137-I486 HydrophobicContact CE2-CD1 3.93Å; F137-I486 HydrophobicContact CE2-CG1 4.49Å; F137-I486 HydrophobicContact CZ-CD1 3.89Å; F137-I486 HydrophobicContact CZ-CG1 3.99Å
138L97.7Very high94.7Very high0 Ų042 Ų420%022%0.219CC..EExtended strand (participates in β ladder)trans-123.2-10.3-167.6-51.8178.9000114.2R61 F64 V66 Y71 F101 Q136 V154R61-L138 HydrophobicContact CG-CB 4.01Å; R61-L138 HydrophobicContact CG-CD2 4.09Å; R61-L138 PolarHBondContact NH1-O 3.01Å; F64-L138 HydrophobicContact CB-CD2 4.48Å; F64-L138 HydrophobicContact CD2-CD2 3.67Å; F64-L138 HydrophobicContact CE2-CD2 4.39Å; F64-L138 HydrophobicContact CG-CD2 4.49Å; V66-L138 HydrophobicContact CG2-CD1 4.19Å; V66-L138 HydrophobicContact CG2-CD2 3.98Å; Y71-L138 HydrophobicContact CD2-CB 4.41Å; Y71-L138 HydrophobicContact CD2-CD1 4.2Å; Y71-L138 HydrophobicContact CE2-CB 3.64Å; Y71-L138 HydrophobicContact CE2-CD1 3.99Å; Y71-L138 HydrophobicContact CE2-CG 4.49Å; F101-L138 HydrophobicContact CD1-CD1 3.29Å; F101-L138 HydrophobicContact CE1-CD1 3.39Å; F101-L138 HydrophobicContact CG-CD1 4.35Å; Q136-L138 WeakPolarHBondContact O-CG 3.46Å; L138-V154 HydrophobicContact CB-CG1 4.27Å; L138-V154 PolarHBondContact N-O 2.88Å
139G97.8Very high94.8Very high0 Ų044.2 Ų44.20%022%0.221CC..EExtended strand (participates in β ladder)trans177146.3176.600000112.3V154G139-V154 PolarHBondContact O-N 2.78Å
140L98.3Very high94.9Very high2 Ų239.2 Ų39.21%0.0120%0.204CC..EExtended strand (participates in β ladder)trans-128.8124.7177.9175.861.9000109.7Y52 F57 I106 V111 M114 L153Y52-L140 HydrophobicContact CD2-CD2 4.31Å; Y52-L140 HydrophobicContact CD2-CG 3.93Å; Y52-L140 HydrophobicContact CG-CD2 4.23Å; Y52-L140 HydrophobicContact CG-CG 4.28Å; Y52-L140 PolarHBondContact N-O 2.98Å; F57-L140 HydrophobicContact CD2-CB 4.43Å; F57-L140 HydrophobicContact CE2-CB 3.55Å; F57-L140 HydrophobicContact CZ-CB 3.6Å; I106-L140 HydrophobicContact CD1-CD1 3.92Å; V111-L140 HydrophobicContact CG1-CD2 4.42Å; V111-L140 HydrophobicContact CG2-CD1 4.41Å; M114-L140 HydrophobicContact CB-CD2 4.43Å; M114-L140 HydrophobicContact CG-CD2 4.01Å; L140-L153 HydrophobicContact CB-CD1 4.33Å; L140-L153 HydrophobicContact CD1-CB 4.35Å; L140-L153 HydrophobicContact CD1-CD1 4.19Å
141Y98Very high95.3Very high6 Ų640.7 Ų40.72%0.02421%0.209CC..EExtended strand (participates in β ladder)trans-132.6144-168.4-54.1-71.9000112F49 K50 E51 Y71 Y151 I152 V154F49-Y141 AromaticContact CE2-CD1 3.57Å; F49-Y141 HydrophobicContact CE2-CD1 3.57Å; F49-Y141 HydrophobicContact CE2-CE1 4.28Å; F49-Y141 HydrophobicContact CE2-CG 4.15Å; F49-Y141 AromaticContact CZ-CD1 3.4Å; F49-Y141 HydrophobicContact CZ-CD1 3.4Å; F49-Y141 AromaticContact CZ-CE1 3.76Å; F49-Y141 HydrophobicContact CZ-CE1 3.76Å; F49-Y141 HydrophobicContact CZ-CG 4.4Å; K50-Y141 CarbonylContact O-C 3.53Å; K50-Y141 VanDerWaalsContact O-CA 3.29Å; K50-Y141 WeakPolarHBondContact O-CA 3.4Å; E51-Y141 HydrophobicContact CB-CD1 3.91Å; E51-Y141 HydrophobicContact CB-CE1 3.89Å; E51-Y141 HydrophobicContact CG-CD1 3.94Å; E51-Y141 HydrophobicContact CG-CE1 3.53Å; E51-Y141 WeakPolarHBondContact OE1-CE1 3.3Å; E51-Y141 PolarHBondContact OE1-OH 3.26Å; Y71-Y141 PolarHBondContact OH-OH 3.19Å; Y141-Y151 CarbonylContact O-C 3.53Å; Y141-Y151 WeakPolarHBondContact O-CA 3.37Å; Y141-I152 PolarHBondContact N-O 2.89Å; Y141-I152 PolarHBondContact O-N 3.44Å; Y141-V154 HydrophobicContact CD2-CG2 4.02Å; Y141-V154 HydrophobicContact CE2-CB 4.45Å; Y141-V154 HydrophobicContact CE2-CG2 3.7Å
142R97.9Very high95.5Very high24 Ų2437.2 Ų37.29%0.09119%0.193CC..EExtended strand (participates in β ladder)trans-114.3127.6162.5171.6170.2113.8-153.87.6109.3K50 Y52 E149 Y151 E421K50-R142 HydrophobicContact CB-CB 4.26Å; K50-R142 PolarHBondContact N-O 2.59Å; K50-R142 PolarHBondContact O-N 3.41Å; Y52-R142 HydrophobicContact CE2-CB 3.74Å; Y52-R142 PolarHBondContact OH-NH1 2.86Å; R142-E149 WeakPolarHBondContact CD-OE1 3.34Å; R142-E149 WeakPolarHBondContact CD-OE2 3.4Å; R142-E149 IonicContact CZ-OE1 3.53Å; R142-E149 IonicContact CZ-OE2 2.67Å; R142-E149 IonicContact NE-OE1 3.52Å; R142-E149 PolarHBondContact NE-OE1 3.07Å; R142-E149 IonicContact NE-OE2 3.04Å; R142-E149 IonicContact NH2-OE1 2.61Å; R142-E149 PolarHBondContact NH2-OE1 2.81Å; R142-Y151 HydrophobicContact CB-CD1 3.85Å; R142-Y151 HydrophobicContact CB-CE1 3.87Å; R142-Y151 VanDerWaalsContact CD-CZ 3.48Å; R142-Y151 VanDerWaalsContact CD-OH 3.31Å; R142-Y151 WeakPolarHBondContact CD-OH 3.36Å; R142-Y151 HydrophobicContact CG-CD1 4.16Å; R142-Y151 HydrophobicContact CG-CE1 3.82Å; R142-E421 IonicContact NH1-OE1 3.62Å; R142-E421 PolarHBondContact NH1-OE1 2.96Å; R142-E421 VanDerWaalsContact NH1-OE1 3.11Å
143L96.1Very high95.6Very high60 Ų6037.1 Ų37.131%0.31419%0.192SC..EExtended strand (participates in β ladder)trans-106133.1170.6-54.3-175.8000108F49 E149 S150 I152F49-L143 HydrophobicContact CD2-CD2 3.6Å; F49-L143 HydrophobicContact CE2-CD2 4.21Å; L143-E149 CarbonylContact O-C 3.56Å; L143-E149 WeakPolarHBondContact O-CA 3.44Å; L143-S150 PolarHBondContact N-O 3.28Å; L143-S150 PolarHBondContact O-N 3.47Å; L143-I152 HydrophobicContact CD1-CD1 3.61Å; L143-I152 HydrophobicContact CG-CD1 4.23Å
144T95.8Very high95.6Very high8 Ų836.4 Ų36.45%0.04919%0.189CC..EExtended strand (participates in β ladder)trans-118.4117.1166.1-44.20000107.7F47 K48 Q148 E149F47-T144 CarbonylContact C-O 3.56Å; F47-T144 WeakPolarHBondContact CA-O 3.27Å; F47-T144 WeakPolarHBondContact CB-O 3.11Å; K48-T144 HydrophobicContact CD-CG2 4.35Å; K48-T144 PolarHBondContact N-O 3.08Å; K48-T144 PolarHBondContact O-N 3.09Å; T144-Q148 WeakPolarHBondContact CA-O 3.2Å; T144-E149 HydrophobicContact CG2-CG 4.06Å; T144-E149 PolarHBondContact OG1-OE1 2.78Å
145V91.9Very high95.6Very high53 Ų5337.7 Ų37.732%0.32120%0.195SC..EExtended strand (participates in β ladder)trans-133.1127.4178.5-179.30000108.1P44 F47 D147 Q148P44-V145 HydrophobicContact CB-CG1 3.9Å; P44-V145 HydrophobicContact CG-CG1 3.66Å; F47-V145 HydrophobicContact CB-CG2 4.04Å; V145-D147 PolarHBondContact O-N 3.14Å; V145-Q148 PolarHBondContact N-O 2.81Å; V145-Q148 PolarHBondContact O-N 2.71Å
146N86.9Confident95.6Very high121 Ų12138 Ų3865%0.64720%0.195SC*.THydrogen-bonded Turntrans48.544.8-174.4-54-26.2000111.9Q148N146-Q148 PolarHBondContact O-N 2.96Å
147D86.2Confident95.4Very high128 Ų12839 Ų3968%0.68420%0.2SC*.THydrogen-bonded Turntrans598.5-178.7-48.7-48.1000115.9V145V145-D147 PolarHBondContact O-N 3.14Å
148Q92.7Very high95.3Very high151 Ų15139.6 Ų39.671%0.70620%0.204SC*.EExtended strand (participates in β ladder)trans-89.3122.7167.2-62.6-169.7-2100110.2T144 V145 N146T144-Q148 WeakPolarHBondContact CA-O 3.2Å; V145-Q148 PolarHBondContact N-O 2.81Å; V145-Q148 PolarHBondContact O-N 2.71Å; N146-Q148 PolarHBondContact O-N 2.96Å
149E94.8Very high95.1Very high78 Ų7840.6 Ų40.636%0.36421%0.209SC..EExtended strand (participates in β ladder)trans-86.8145.1172.7-59.5-148.7133.500112R142 L143 T144 Y151R142-E149 WeakPolarHBondContact CD-OE1 3.34Å; R142-E149 WeakPolarHBondContact CD-OE2 3.4Å; R142-E149 IonicContact CZ-OE1 3.53Å; R142-E149 IonicContact CZ-OE2 2.67Å; R142-E149 IonicContact NE-OE1 3.52Å; R142-E149 PolarHBondContact NE-OE1 3.07Å; R142-E149 IonicContact NE-OE2 3.04Å; R142-E149 IonicContact NH2-OE1 2.61Å; R142-E149 PolarHBondContact NH2-OE1 2.81Å; L143-E149 CarbonylContact O-C 3.56Å; L143-E149 WeakPolarHBondContact O-CA 3.44Å; T144-E149 HydrophobicContact CG2-CG 4.06Å; T144-E149 PolarHBondContact OG1-OE1 2.78Å; E149-Y151 HydrophobicContact CB-CE2 4.25Å; E149-Y151 PolarHBondContact OE2-OH 3.18Å
150S94.3Very high94.7Very high55 Ų5541 Ų4139%0.38521%0.212SC..EExtended strand (participates in β ladder)trans-146.4128.1174.8-72.80000110.1L143L143-S150 PolarHBondContact N-O 3.28Å; L143-S150 PolarHBondContact O-N 3.47Å
151Y97Very high94.2Very high35 Ų3542.5 Ų42.514%0.13722%0.222CC..EExtended strand (participates in β ladder)trans-101.9132.3-177.8-60.1-93.7000109.7T105 I106 V111 Y141 R142 E149T105-Y151 VanDerWaalsContact CA-O 3.3Å; T105-Y151 WeakPolarHBondContact CA-O 3.31Å; I106-Y151 PolarHBondContact N-O 3.01Å; V111-Y151 HydrophobicContact CB-CD1 4.39Å; V111-Y151 HydrophobicContact CG1-CD1 4.35Å; V111-Y151 HydrophobicContact CG2-CD1 3.45Å; V111-Y151 VanDerWaalsContact CG2-CD1 3.45Å; V111-Y151 HydrophobicContact CG2-CE1 4.19Å; V111-Y151 HydrophobicContact CG2-CG 3.67Å; Y141-Y151 CarbonylContact O-C 3.53Å; Y141-Y151 WeakPolarHBondContact O-CA 3.37Å; R142-Y151 HydrophobicContact CB-CD1 3.85Å; R142-Y151 HydrophobicContact CB-CE1 3.87Å; R142-Y151 VanDerWaalsContact CD-CZ 3.48Å; R142-Y151 VanDerWaalsContact CD-OH 3.31Å; R142-Y151 WeakPolarHBondContact CD-OH 3.36Å; R142-Y151 HydrophobicContact CG-CD1 4.16Å; R142-Y151 HydrophobicContact CG-CE1 3.82Å; E149-Y151 HydrophobicContact CB-CE2 4.25Å; E149-Y151 PolarHBondContact OE2-OH 3.18Å
152I96.7Very high93.7Very high27 Ų2745.3 Ų45.314%0.13823%0.232CC..EExtended strand (participates in β ladder)trans-127.5122.6-175.4-59.8-178.4000109.3A103 K104 Y141 L143 V154A103-I152 HydrophobicContact CB-CG2 3.73Å; K104-I152 WeakPolarHBondContact O-CA 3.28Å; Y141-I152 PolarHBondContact N-O 2.89Å; Y141-I152 PolarHBondContact O-N 3.44Å; L143-I152 HydrophobicContact CD1-CD1 3.61Å; L143-I152 HydrophobicContact CG-CD1 4.23Å; I152-V154 HydrophobicContact CG2-CG2 4.3Å
153L97.5Very high93.3Very high1 Ų144.8 Ų44.81%0.00523%0.231CC..EExtended strand (participates in β ladder)trans-107.8119.4172.8-179.862.2000109.4K104 I106 M114 F137 L140 M155 L487K104-L153 PolarHBondContact N-O 3.42Å; K104-L153 PolarHBondContact O-N 2.87Å; I106-L153 HydrophobicContact CD1-CB 3.93Å; I106-L153 HydrophobicContact CD1-CD2 4.38Å; I106-L153 HydrophobicContact CG1-CB 4.35Å; I106-L153 HydrophobicContact CG2-CB 4.19Å; M114-L153 HydrophobicContact SD-CD1 4.44Å; M114-L153 HydrophobicContact SD-CD2 4.48Å; F137-L153 HydrophobicContact CB-CD1 4.37Å; F137-L153 HydrophobicContact CD1-CD1 3.88Å; F137-L153 HydrophobicContact CD1-CD2 3.76Å; F137-L153 HydrophobicContact CD1-CG 3.87Å; F137-L153 HydrophobicContact CE1-CD1 4.49Å; F137-L153 HydrophobicContact CE1-CD2 3.54Å; F137-L153 HydrophobicContact CE1-CG 4.15Å; F137-L153 HydrophobicContact CG-CD1 4.28Å; F137-L153 HydrophobicContact CZ-CD2 4.3Å; L140-L153 HydrophobicContact CB-CD1 4.33Å; L140-L153 HydrophobicContact CD1-CB 4.35Å; L140-L153 HydrophobicContact CD1-CD1 4.19Å; L153-M155 HydrophobicContact CD2-CE 4.16Å; L153-M155 HydrophobicContact CG-CE 4.05Å; L153-L487 HydrophobicContact CD2-CD1 3.73Å
154V97.8Very high93Very high1 Ų144.4 Ų44.41%0.00624%0.237CC..EExtended strand (participates in β ladder)trans-94.3135178.7-178.50000110.2Y71 F75 F101 V102 A103 L138 G139 Y141 I152Y71-V154 HydrophobicContact CE2-CG1 3.84Å; Y71-V154 WeakPolarHBondContact OH-CG1 3.49Å; F75-V154 HydrophobicContact CE2-CG1 3.71Å; F75-V154 HydrophobicContact CZ-CB 4.46Å; F75-V154 HydrophobicContact CZ-CG1 3.47Å; F75-V154 VanDerWaalsContact CZ-CG1 3.47Å; F75-V154 HydrophobicContact CZ-CG2 4.07Å; F101-V154 HydrophobicContact CB-CG1 4.37Å; V102-V154 WeakPolarHBondContact O-CA 3.26Å; A103-V154 HydrophobicContact CB-CG2 4.05Å; L138-V154 HydrophobicContact CB-CG1 4.27Å; L138-V154 PolarHBondContact N-O 2.88Å; G139-V154 PolarHBondContact O-N 2.78Å; Y141-V154 HydrophobicContact CD2-CG2 4.02Å; Y141-V154 HydrophobicContact CE2-CB 4.45Å; Y141-V154 HydrophobicContact CE2-CG2 3.7Å; I152-V154 HydrophobicContact CG2-CG2 4.3Å
155M97.3Very high92.7Very high27 Ų2745.1 Ų45.113%0.13324%0.24CC..EExtended strand (participates in β ladder)trans-141.3162177.263.4-160.675.100111.8F101 V102 K104 P135 Q136 F137 L153F101-M155 WeakPolarHBondContact CA-O 3.34Å; V102-M155 HydrophobicContact CB-CG 4.3Å; V102-M155 PolarHBondContact N-O 3.27Å; V102-M155 PolarHBondContact O-N 2.82Å; K104-M155 HydrophobicContact CB-CE 3.87Å; K104-M155 HydrophobicContact CD-CE 4.45Å; P135-M155 HydrophobicContact CB-SD 4.26Å; Q136-M155 CarbonylContact O-C 3.45Å; Q136-M155 WeakPolarHBondContact O-CA 3.47Å; Q136-M155 WeakPolarHBondContact O-CB 3.38Å; F137-M155 HydrophobicContact CD1-CB 4.24Å; F137-M155 HydrophobicContact CD1-CE 4.43Å; F137-M155 HydrophobicContact CE1-CE 4.21Å; L153-M155 HydrophobicContact CD2-CE 4.16Å; L153-M155 HydrophobicContact CG-CE 4.05Å
156R96.4Very high92.6Very high14 Ų1445 Ų455%0.05324%0.236CC..EExtended strand (participates in β ladder)trans-61.4142.1168.6-170.3-178.9-69.3-7814.2110.1F64 V66 Q136 T461F64-R156 PolarHBondContact O-NH2 3.38Å; V66-R156 VanDerWaalsContact CG2-NH2 3.25Å; Q136-R156 HydrophobicContact CB-CB 4.06Å; Q136-R156 PolarHBondContact O-N 3.25Å; Q136-R156 VanDerWaalsContact O-N 3.08Å; R156-T461 PolarHBondContact NH1-O 3.41Å
157N94.7Very high92.7Very high23 Ų2344.5 Ų44.512%0.12323%0.228CC..  trans-65.5138170.1-166.4-3.2000110.3R99 Q100 V102 F159R99-N157 VanDerWaalsContact O-CB 3.31Å; R99-N157 WeakPolarHBondContact O-CB 3.18Å; R99-N157 PolarHBondContact O-ND2 3.15Å; Q100-N157 WeakPolarHBondContact O-CB 3.34Å; Q100-N157 PolarHBondContact O-N 2.65Å; V102-N157 HydrophobicContact CG2-CB 3.82Å; N157-F159 VanDerWaalsContact C-N 3.33Å; N157-F159 PolarHBondContact ND2-O 3.37Å; N157-F159 PolarHBondContact OD1-N 3.41Å
158V94.8Very high93Very high17 Ų1738.7 Ų38.710%0.10320%0.197CC..SBendtrans-71.3-33.9176.3173.30000111.1L296 Y465 F480 A482 I484V158-L296 HydrophobicContact CB-CD2 4.12Å; V158-L296 HydrophobicContact CG1-CD2 4.07Å; V158-L296 HydrophobicContact CG2-CD2 4.23Å; V158-Y465 HydrophobicContact CB-CD2 4.43Å; V158-Y465 HydrophobicContact CG1-CD2 4.48Å; V158-Y465 HydrophobicContact CG1-CG 4.47Å; V158-Y465 HydrophobicContact CG2-CE2 4.39Å; V158-F480 WeakPolarHBondContact O-CD1 3.19Å; V158-A482 HydrophobicContact CB-CB 4.16Å; V158-A482 HydrophobicContact CG1-CB 3.51Å; V158-A482 HydrophobicContact CG2-CB 3.55Å; V158-I484 HydrophobicContact CG2-CG2 4.44Å
159F93.5Very high92.8Very high21 Ų2131.5 Ų31.59%0.09216%0.163CC..SBendtrans-94.5146.2-178.9-53.9-35.1000110.8N157 I165 K168 L296 F480N157-F159 VanDerWaalsContact C-N 3.33Å; N157-F159 PolarHBondContact ND2-O 3.37Å; N157-F159 PolarHBondContact OD1-N 3.41Å; F159-I165 HydrophobicContact CB-CD1 4.08Å; F159-I165 HydrophobicContact CB-CG1 3.86Å; F159-I165 HydrophobicContact CD1-CD1 4.01Å; F159-I165 HydrophobicContact CD1-CG1 4.1Å; F159-I165 HydrophobicContact CD2-CG1 3.97Å; F159-I165 HydrophobicContact CG-CD1 4.04Å; F159-I165 HydrophobicContact CG-CG1 3.72Å; F159-K168 HydrophobicContact CE2-CD 4.09Å; F159-K168 HydrophobicContact CE2-CG 4.49Å; F159-K168 HydrophobicContact CZ-CD 4.16Å; F159-K168 HydrophobicContact CZ-CG 4.09Å; F159-L296 HydrophobicContact CE1-CD2 4.09Å; F159-L296 HydrophobicContact CE1-CG 4.12Å; F159-L296 HydrophobicContact CE2-CD2 4.43Å; F159-L296 HydrophobicContact CZ-CD1 4.02Å; F159-L296 HydrophobicContact CZ-CD2 3.74Å; F159-L296 HydrophobicContact CZ-CG 3.87Å; F159-F480 HydrophobicContact CD1-CB 3.78Å; F159-F480 HydrophobicContact CD1-CG 4.28Å; F159-F480 HydrophobicContact CE1-CB 4.25Å
160S90.1Very high92.6Very high8 Ų829.7 Ų29.76%0.05616%0.156CC..  trans-55.6141.7175.11740000111.4R162 L163 E463 F480S160-R162 PolarHBondContact O-N 3.47Å; S160-R162 PolarHBondContact OG-N 3.34Å; S160-L163 PolarHBondContact OG-N 3.09Å; S160-L163 VanDerWaalsContact OG-N 3.09Å; S160-E463 WeakPolarHBondContact CB-OE1 3.39Å; S160-E463 PolarHBondContact OG-OE1 3.32Å; S160-F480 VanDerWaalsContact CB-CZ 3.46Å
161P87.6Confident92.2Very high34 Ų3427.1 Ų27.122%0.22114%0.138CC..SBendtrans-68.7-16.3167.830.4-35.8000113.1N98 R99 Q100 L462N98-P161 WeakPolarHBondContact O-CB 3.42Å; R99-P161 HydrophobicContact CB-CB 3.97Å; Q100-P161 HydrophobicContact CG-CB 4.4Å; Q100-P161 HydrophobicContact CG-CG 4.27Å; P161-L462 HydrophobicContact CG-CB 4.31Å; P161-L462 HydrophobicContact CG-CD1 4.45Å; P161-L462 HydrophobicContact CG-CD2 4.29Å
162R88Confident91.2Very high66 Ų6628.6 Ų28.625%0.24915%0.145CC..SBendtrans-107.5-30.4-174-68.6171.158.9-175.6-4114.3S160 Q452S160-R162 PolarHBondContact O-N 3.47Å; S160-R162 PolarHBondContact OG-N 3.34Å; R162-Q452 VanDerWaalsContact NH2-CB 3.26Å; R162-Q452 PolarHBondContact NH2-O 3.06Å
163L89.3Confident89.6Confident13 Ų1327.4 Ų27.47%0.06814%0.139CC..SBendtrans-101.8118.6-173.7-56-175.6000111.7S160 H300 F454 L458 I478 F480S160-L163 PolarHBondContact OG-N 3.09Å; S160-L163 VanDerWaalsContact OG-N 3.09Å; L163-H300 HydrophobicContact CB-CB 4.39Å; L163-F454 HydrophobicContact CD1-CD2 4.07Å; L163-F454 HydrophobicContact CD1-CE2 4.09Å; L163-F454 HydrophobicContact CD2-CB 4.08Å; L163-F454 HydrophobicContact CD2-CD2 3.85Å; L163-F454 HydrophobicContact CD2-CG 4.16Å; L163-L458 HydrophobicContact CD1-CD2 4.01Å; L163-I478 HydrophobicContact CD1-CD1 3.87Å; L163-I478 HydrophobicContact CD1-CG2 4.39Å; L163-F480 HydrophobicContact CB-CE2 4.4Å; L163-F480 HydrophobicContact CB-CZ 4.33Å; L163-F480 HydrophobicContact CD1-CZ 4.14Å
164A89.4Confident87.7Confident52 Ų5229.9 Ų29.943%0.4315%0.151SC..PPolyproline II helixtrans-63.7135.4179.200000112H300A164-H300 WeakPolarHBondContact O-CB 3.32Å; A164-H300 PolarHBondContact O-ND1 3.19Å
165I91Very high85.4Confident23 Ų2332.1 Ų32.112%0.11816%0.163CC..PPolyproline II helixtrans-95.3121.3178.2-57-60.1000108.9F159 K167 K168 L249 F480F159-I165 HydrophobicContact CB-CD1 4.08Å; F159-I165 HydrophobicContact CB-CG1 3.86Å; F159-I165 HydrophobicContact CD1-CD1 4.01Å; F159-I165 HydrophobicContact CD1-CG1 4.1Å; F159-I165 HydrophobicContact CD2-CG1 3.97Å; F159-I165 HydrophobicContact CG-CD1 4.04Å; F159-I165 HydrophobicContact CG-CG1 3.72Å; I165-K167 WeakPolarHBondContact CG2-O 3.37Å; I165-K168 HydrophobicContact CG2-CB 4.44Å; I165-L249 HydrophobicContact CB-CD2 4.05Å; I165-L249 HydrophobicContact CG2-CD1 4.37Å; I165-L249 HydrophobicContact CG2-CD2 4.08Å; I165-L249 VanDerWaalsContact O-CD1 3.28Å; I165-L249 WeakPolarHBondContact O-CD1 3.39Å; I165-L249 WeakPolarHBondContact O-CD2 3.28Å; I165-F480 HydrophobicContact CD1-CD2 3.49Å; I165-F480 VanDerWaalsContact CD1-CD2 3.49Å; I165-F480 HydrophobicContact CD1-CE2 3.82Å; I165-F480 HydrophobicContact CD1-CG 4.35Å
166H88.8Confident82.9Confident51 Ų5132.9 Ų32.924%0.23617%0.165CC..SBendtrans-100.1-24.2-178.1-51.7121.5000113L249 V299 H300 D301H166-L249 WeakPolarHBondContact O-CD1 3.42Å; H166-V299 PolarHBondContact N-O 2.98Å; H166-H300 AromaticContact CE1-ND1 3.8Å; H166-D301 PolarHBondContact CE1-O 2.82Å; H166-D301 VanDerWaalsContact ND1-CB 3.32Å; H166-D301 WeakPolarHBondContact ND1-CB 3.34Å; H166-D301 PolarHBondContact ND1-N 3.16Å; H166-D301 PolarHBondContact ND1-O 2.86Å
167K89.9Confident80.3Confident110 Ų11033.7 Ų33.748%0.47817%0.172SC..EExtended strand (participates in β ladder)trans-136.2146.7170.8-55.3-179.4-178.6174.70110.6I165 Y169 G298 V299I165-K167 WeakPolarHBondContact CG2-O 3.37Å; K167-Y169 HydrophobicContact CB-CE2 3.85Å; K167-Y169 HydrophobicContact CD-CE2 4.49Å; K167-G298 CarbonylContact O-C 3.56Å; K167-G298 WeakPolarHBondContact O-CA 3.43Å; K167-V299 HydrophobicContact CB-CB 4.07Å; K167-V299 HydrophobicContact CB-CG2 4.11Å; K167-V299 PolarHBondContact N-O 2.82Å; K167-V299 PolarHBondContact O-N 3.15Å
168K91Very high77.7Confident6 Ų635.8 Ų35.83%0.02619%0.189CC..EExtended strand (participates in β ladder)trans-142.8125.4-176.8176.4-177.952.7169.70110.2F159 I165 L249 T251 L252 L296 I297F159-K168 HydrophobicContact CE2-CD 4.09Å; F159-K168 HydrophobicContact CE2-CG 4.49Å; F159-K168 HydrophobicContact CZ-CD 4.16Å; F159-K168 HydrophobicContact CZ-CG 4.09Å; I165-K168 HydrophobicContact CG2-CB 4.44Å; K168-L249 HydrophobicContact CB-CD1 4.39Å; K168-L249 HydrophobicContact CB-CG 4.4Å; K168-L249 PolarHBondContact NZ-O 2.9Å; K168-T251 HydrophobicContact CD-CG2 4.28Å; K168-T251 WeakPolarHBondContact CE-OG1 3.41Å; K168-T251 HydrophobicContact CG-CG2 4.34Å; K168-T251 PolarHBondContact NZ-OG1 3.46Å; K168-L252 WeakPolarHBondContact O-CB 3.39Å; K168-L252 PolarHBondContact O-N 3.27Å; K168-L296 HydrophobicContact CG-CD1 4.11Å; K168-I297 CarbonylContact C-O 3.56Å; K168-I297 VanDerWaalsContact CA-O 3.32Å; K168-I297 WeakPolarHBondContact CA-O 3.28Å
169Y89.5Confident75Confident0 Ų042.4 Ų42.40%022%0.218CC..EExtended strand (participates in β ladder)trans-124.1136.8-178.6-58.1-89.6000111.3K167 L252 F257 D260 L296 I297 V299K167-Y169 HydrophobicContact CB-CE2 3.85Å; K167-Y169 HydrophobicContact CD-CE2 4.49Å; Y169-L252 CarbonylContact C-O 3.53Å; Y169-L252 VanDerWaalsContact CA-O 3.31Å; Y169-L252 WeakPolarHBondContact CA-O 3.25Å; Y169-L252 HydrophobicContact CD1-CB 3.41Å; Y169-L252 VanDerWaalsContact CD1-CB 3.41Å; Y169-L252 HydrophobicContact CD1-CD1 4.14Å; Y169-L252 HydrophobicContact CD1-CG 4.4Å; Y169-L252 HydrophobicContact CE1-CB 3.62Å; Y169-L252 HydrophobicContact CE1-CD1 3.47Å; Y169-L252 VanDerWaalsContact CE1-CD1 3.47Å; Y169-L252 HydrophobicContact CE1-CG 4.19Å; Y169-L252 HydrophobicContact CG-CB 4.26Å; Y169-F257 HydrophobicContact CD1-CB 3.86Å; Y169-F257 AromaticContact CD1-CD2 3.62Å; Y169-F257 HydrophobicContact CD1-CD2 3.62Å; Y169-F257 HydrophobicContact CD1-CG 4.24Å; Y169-F257 AromaticContact CD2-CD2 3.96Å; Y169-F257 HydrophobicContact CD2-CD2 3.96Å; Y169-F257 HydrophobicContact CD2-CE2 4.32Å; Y169-F257 HydrophobicContact CE1-CB 4.08Å; Y169-F257 AromaticContact CE1-CD2 3.87Å; Y169-F257 HydrophobicContact CE1-CD2 3.87Å; Y169-F257 HydrophobicContact CE1-CG 4.43Å; Y169-F257 HydrophobicContact CE2-CD2 4.19Å; Y169-F257 AromaticContact CG-CD2 3.67Å; Y169-F257 HydrophobicContact CG-CD2 3.67Å; Y169-F257 HydrophobicContact CG-CE2 4.42Å; Y169-D260 WeakPolarHBondContact CE1-OD2 3.41Å; Y169-D260 PolarHBondContact OH-OD2 3.19Å; Y169-L296 WeakPolarHBondContact O-CA 3.21Å; Y169-I297 PolarHBondContact N-O 3.32Å; Y169-I297 PolarHBondContact O-N 3.3Å; Y169-V299 HydrophobicContact CE2-CG2 4.35Å
170D89.3Confident72.3Confident40 Ų4047.4 Ų47.421%0.21424%0.242CC..EExtended strand (participates in β ladder)trans-115.5105.5175.2179.1-17.6000107.7T251 L252 K253 S294D170-T251 HydrophobicContact CB-CG2 3.82Å; D170-L252 PolarHBondContact N-O 3.1Å; D170-K253 WeakPolarHBondContact O-CA 3.38Å; D170-S294 WeakPolarHBondContact OD1-CB 3.36Å; D170-S294 PolarHBondContact OD1-OG 2.74Å
171L85.9Confident69.8Low1 Ų148.9 Ų48.91%0.00525%0.25CS..EExtended strand (participates in β ladder)trans-112.9115.6-167.5-55.3175000110.3D254 F257 S294 L295 I297 F524L171-D254 WeakPolarHBondContact CA-OD1 3.49Å; L171-F257 HydrophobicContact CD1-CD2 4.35Å; L171-F257 HydrophobicContact CD2-CB 3.97Å; L171-F257 HydrophobicContact CD2-CD2 4.39Å; L171-F257 HydrophobicContact CD2-CG 4.22Å; L171-S294 CarbonylContact O-C 3.52Å; L171-S294 VanDerWaalsContact O-CA 3.25Å; L171-S294 WeakPolarHBondContact O-CA 3.35Å; L171-S294 WeakPolarHBondContact O-CB 3.38Å; L171-L295 HydrophobicContact CB-CB 4.43Å; L171-L295 WeakPolarHBondContact CB-O 3.29Å; L171-L295 PolarHBondContact N-O 3.24Å; L171-L295 PolarHBondContact O-N 3.36Å; L171-I297 HydrophobicContact CD1-CD1 3.48Å; L171-I297 VanDerWaalsContact CD1-CD1 3.48Å; L171-I297 HydrophobicContact CD1-CG1 4.02Å; L171-F524 HydrophobicContact CB-CE1 4.17Å; L171-F524 HydrophobicContact CD1-CE1 4.1Å; L171-F524 HydrophobicContact CD2-CE1 4.16Å; L171-F524 HydrophobicContact CG-CE1 4.36Å
172K77.4Confident67.2Low65 Ų6556.1 Ų56.128%0.28328%0.278SS..  trans-116.116.5178.8-68.5-163.3176.2-163.90112.5I174 D254 D292 S294K172-I174 PolarHBondContact O-N 2.97Å; K172-D254 PolarHBondContact N-OD1 3.16Å; K172-D292 WeakPolarHBondContact CE-O 3.47Å; K172-D292 PolarHBondContact NZ-O 2.95Å; K172-S294 WeakPolarHBondContact CE-OG 3.37Å; K172-S294 WeakPolarHBondContact CG-OG 3.48Å
173N63.4Low64.4Low2 Ų262.8 Ų62.81%0.01130%0.304CS..  trans-63.5115-130.3-152-12.3000117L175 D254 F524N173-L175 WeakPolarHBondContact OD1-CB 3.4Å; N173-L175 WeakPolarHBondContact OD1-CD1 3.25Å; N173-L175 PolarHBondContact OD1-N 3.39Å; N173-D254 VanDerWaalsContact CA-OD1 3.24Å; N173-D254 WeakPolarHBondContact CA-OD1 3.36Å; N173-D254 HydrophobicContact CB-CB 4.25Å; N173-D254 WeakPolarHBondContact CB-OD1 3.48Å; N173-D254 PolarHBondContact N-OD1 2.85Å; N173-F524 HydrophobicContact CB-CD1 3.67Å; N173-F524 HydrophobicContact CB-CD2 4.07Å; N173-F524 HydrophobicContact CB-CE1 3.74Å; N173-F524 HydrophobicContact CB-CE2 4.15Å; N173-F524 HydrophobicContact CB-CG 3.84Å; N173-F524 HydrophobicContact CB-CZ 3.99Å; N173-F524 WeakPolarHBondContact ND2-CE2 3.36Å; N173-F524 VanDerWaalsContact ND2-CZ 3.25Å; N173-F524 WeakPolarHBondContact ND2-CZ 3.2Å
174I55.9Low61.8Low54 Ų5465 Ų6528%0.27732%0.32SS..THydrogen-bonded Turntrans-89.4-4.4175.1-61.1172.2000111.8K172 Y176 Y517K172-I174 PolarHBondContact O-N 2.97Å; I174-Y176 PolarHBondContact O-N 3.22Å; I174-Y176 VanDerWaalsContact O-N 3.09Å; I174-Y517 HydrophobicContact CD1-CE2 4.29Å; I174-Y517 HydrophobicContact CG1-CE2 4.22Å
175L49.6Very low59.1Low47 Ų4767.8 Ų67.825%0.24633%0.332CS..THydrogen-bonded Turntrans-55.5-26.8177.3-91135.7000113.3N173 S177 F227 D254 L258N173-L175 WeakPolarHBondContact OD1-CB 3.4Å; N173-L175 WeakPolarHBondContact OD1-CD1 3.25Å; N173-L175 PolarHBondContact OD1-N 3.39Å; L175-S177 PolarHBondContact O-N 2.77Å; L175-F227 HydrophobicContact CD1-CE1 4.36Å; L175-F227 HydrophobicContact CD1-CZ 4.07Å; L175-F227 HydrophobicContact CD2-CD1 4.13Å; L175-F227 HydrophobicContact CD2-CD2 3.48Å; L175-F227 VanDerWaalsContact CD2-CD2 3.48Å; L175-F227 HydrophobicContact CD2-CE1 3.89Å; L175-F227 HydrophobicContact CD2-CE2 3.22Å; L175-F227 HydrophobicContact CD2-CG 3.94Å; L175-F227 HydrophobicContact CD2-CZ 3.43Å; L175-F227 VanDerWaalsContact CD2-CZ 3.43Å; L175-F227 HydrophobicContact CG-CD2 4.33Å; L175-F227 HydrophobicContact CG-CE1 4.12Å; L175-F227 HydrophobicContact CG-CE2 3.57Å; L175-F227 HydrophobicContact CG-CZ 3.43Å; L175-F227 VanDerWaalsContact CG-CZ 3.43Å; L175-D254 HydrophobicContact CD1-CB 4.23Å; L175-L258 HydrophobicContact CD1-CD1 4.43Å
176Y45.9Very low56.3Low43 Ų4370.7 Ų70.717%0.16935%0.354CS..  trans-78.572.9170.1-92.4-116.6000111.3I174 V181 R520 Q527I174-Y176 PolarHBondContact O-N 3.22Å; I174-Y176 VanDerWaalsContact O-N 3.09Å; Y176-V181 HydrophobicContact CD1-CG2 3.72Å; Y176-V181 HydrophobicContact CE1-CB 4.31Å; Y176-V181 HydrophobicContact CE1-CG1 4.11Å; Y176-V181 HydrophobicContact CE1-CG2 3.21Å; Y176-R520 VanDerWaalsContact O-CD 3.23Å; Y176-R520 WeakPolarHBondContact O-CD 3.27Å; Y176-R520 WeakPolarHBondContact O-CG 3.34Å; Y176-R520 PolarHBondContact O-NE 3.42Å; Y176-Q527 PolarHBondContact OH-OE1 2.71Å
177S41.8Very low53.6Low31 Ų3174 Ų7422%0.21737%0.372CS..  trans-84.5120.5149.9-165.30000107.8L175 H179 H180L175-S177 PolarHBondContact O-N 2.77Å; S177-H179 PolarHBondContact O-N 3.2Å; S177-H180 PolarHBondContact O-N 3.12Å
178S38.5Very low50.9Low68 Ų6877.6 Ų77.648%0.47639%0.39SS..THydrogen-bonded Turntrans-62.51.2-161.4-44.20000116.4
179H38.8Very low48Very low155 Ų15581.4 Ų81.472%0.71842%0.417SS*.THydrogen-bonded Turntrans-80.2-20.7178.1-81.7-86.6000115.2S177S177-H179 PolarHBondContact O-N 3.2Å
180H37.6Very low45.1Very low126 Ų12690 Ų9058%0.58346%0.455SS*.SBendtrans-93.3-20-175.4-87.4-73.5000115.6S177 R183S177-H180 PolarHBondContact O-N 3.12Å; H180-R183 PolarHBondContact O-N 3Å
181V37.1Very low42.4Very low39 Ų3995.3 Ų95.324%0.23649%0.489CS..G310 helixtrans-75.3-32.5-172.6-167.70000112.5Y176 R183 S184Y176-V181 HydrophobicContact CD1-CG2 3.72Å; Y176-V181 HydrophobicContact CE1-CB 4.31Å; Y176-V181 HydrophobicContact CE1-CG1 4.11Å; Y176-V181 HydrophobicContact CE1-CG2 3.21Å; V181-R183 PolarHBondContact O-N 2.92Å; V181-S184 PolarHBondContact O-N 3.4Å; V181-S184 VanDerWaalsContact O-N 3.07Å; V181-S184 PolarHBondContact O-OG 3.01Å
182K32.1Very low39.9Very low186 Ų18698.8 Ų98.881%0.80952%0.518SS*.G310 helixtrans-65.1-5.8177.9-70.5-171.6175.9-177.50114.4
183R30.1Very low37.6Very low207 Ų207105.2 Ų105.278%0.78155%0.548SS*.G310 helixtrans-103.8-14.1172.1-81.4-177.1169.2140.5-3.4115H180 V181H180-R183 PolarHBondContact O-N 3Å; V181-R183 PolarHBondContact O-N 2.92Å
184S33.8Very low36.1Very low59 Ų59108.5 Ų108.541%0.41358%0.583SS.*THydrogen-bonded Turntrans-84.4-34.6175.248.50000112.8V181 S186V181-S184 PolarHBondContact O-N 3.4Å; V181-S184 VanDerWaalsContact O-N 3.07Å; V181-S184 PolarHBondContact O-OG 3.01Å; S184-S186 VanDerWaalsContact C-N 3.33Å; S184-S186 PolarHBondContact O-N 2.84Å
185V34.1Very low34.8Very low111 Ų111111.9 Ų111.967%0.67361%0.612SS**G310 helixtrans-70.4-28.1-178-175.50000112.5I187V185-I187 PolarHBondContact O-N 3.26Å
186S31Very low34.2Very low83 Ų83116 Ų11658%0.5864%0.638SS**G310 helixtrans-78.45.7-178.5-1680000115.2S184 S189S184-S186 VanDerWaalsContact C-N 3.33Å; S184-S186 PolarHBondContact O-N 2.84Å; S186-S189 PolarHBondContact O-OG 2.83Å
187I32.2Very low33.4Very low120 Ų120123.1 Ų123.162%0.61567%0.674SS**G310 helixtrans-106.9-10.7-177.7-64.7177.6000112.4V185V185-I187 PolarHBondContact O-N 3.26Å
188H33.4Very low33Very low186 Ų186129.7 Ų129.786%0.86171%0.705SS**THydrogen-bonded Turntrans-90.29.1174.6-100.2-89.8000114.6
189S31.1Very low32.7Very low86 Ų86131.7 Ų131.760%0.60172%0.719SS**THydrogen-bonded Turntrans-103.35.7179.955.80000115S186S186-S189 PolarHBondContact O-OG 2.83Å
190F28.9Very low32.2Very low182 Ų182130 Ų13080%0.79872%0.724SS**SBendtrans-107.8145.3170-87.9-101.5000110.2
191V32Very low32.1Very low150 Ų150129 Ų12991%0.90973%0.732SS**SBendtrans76.143.7-172.6-1550000114.7
192A32Very low32Very low75 Ų75137.5 Ų137.562%0.6277%0.766SS**SBendtrans-124.5150.9133.900000107.2
193H29.8Very low32.2Very low199 Ų199135.4 Ų135.492%0.92176%0.762SS**SBendtrans76.2106.2-163.7-47.775.7000113.5
194G32.1Very low32.6Very low72 Ų72129.9 Ų129.974%0.74275%0.748SS**  trans160.862.7-179.900000113.3T196G194-T196 PolarHBondContact O-N 2.91Å
195S29.2Very low32.9Very low125 Ų125132.8 Ų132.887%0.87476%0.757SS**  trans-66.6116-179.5-480000112.2
196T35.8Very low32.9Very low132 Ų132133.1 Ų133.181%0.8176%0.756SS**  trans-154.3123.5158.62.20000110.9G194G194-T196 PolarHBondContact O-N 2.91Å
197Q29.3Very low33.3Very low194 Ų194134 Ų13491%0.90775%0.754SS**  trans-68.6137.3172.7-60.2-174.223.500109.9
198L34.7Very low33.6Very low169 Ų169130.3 Ų130.389%0.88574%0.741SS**  trans-146.4125159.7-103.1140.3000111.6
199S31.2Very low33.8Very low110 Ų110124.7 Ų124.777%0.76972%0.72SS**  trans-44146.6-172.2-172.10000117.5S201S199-S201 PolarHBondContact O-N 3.3Å
200S28.7Very low34.3Very low118 Ų118123.3 Ų123.383%0.82571%0.708SS**  trans-47.8120.6171.9-58.90000114.1
201S35.3Very low35.2Very low106 Ų106118.9 Ų118.974%0.74170%0.696SS**  trans-147.5138155.1-800000108.4S199 I203S199-S201 PolarHBondContact O-N 3.3Å; S201-I203 PolarHBondContact O-N 3.21Å
202K35Very low35.9Very low218 Ų218117.7 Ų117.795%0.94868%0.683SS**  trans-62.495.3-166-64173.7-179.8176.50111.9N204K202-N204 PolarHBondContact O-N 2.95Å
203I37Very low36.3Very low141 Ų141118.5 Ų118.572%0.72367%0.674SS**  trans-73.4119.2171-61.7177.5000108S201 I205S201-I203 PolarHBondContact O-N 3.21Å; I203-I205 PolarHBondContact O-N 2.9Å
204N36.9Very low37.3Very low91 Ų91116.1 Ų116.149%0.48766%0.661SS.*  trans-71.999.4176.6-174.8-13.7000109.6K202 N206 N207 A208K202-N204 PolarHBondContact O-N 2.95Å; N204-N206 PolarHBondContact O-N 3.12Å; N204-N206 VanDerWaalsContact O-N 3.16Å; N204-N206 PolarHBondContact OD1-N 3.37Å; N204-N207 PolarHBondContact O-N 3.04Å; N204-A208 PolarHBondContact O-N 3.18Å
205I40.7Very low38.2Very low120 Ų120117 Ų11762%0.61565%0.646SS**Hα-helixtrans-53.6-37.2-173.2-62.5172.3000111.7I203 N207 A208 V209I203-I205 PolarHBondContact O-N 2.9Å; I205-N207 VanDerWaalsContact C-N 3.27Å; I205-N207 PolarHBondContact O-N 3.05Å; I205-A208 WeakPolarHBondContact O-CB 3.47Å; I205-A208 PolarHBondContact O-N 3.38Å; I205-V209 HydrophobicContact CG2-CG2 4.26Å; I205-V209 WeakPolarHBondContact O-CG2 3.06Å; I205-V209 PolarHBondContact O-N 3.02Å
206N35Very low39.2Very low119 Ų119115 Ų11564%0.63662%0.623SS**Hα-helixtrans-64.2-31.4-178.8-60.5-11.2000112.6N204 T210N204-N206 PolarHBondContact O-N 3.12Å; N204-N206 VanDerWaalsContact O-N 3.16Å; N204-N206 PolarHBondContact OD1-N 3.37Å; N206-T210 WeakPolarHBondContact O-CG2 3.39Å; N206-T210 PolarHBondContact O-N 3.04Å; N206-T210 PolarHBondContact O-OG1 2.92Å
207N39.9Very low39.9Very low101 Ų101114.6 Ų114.654%0.5461%0.61SS.*Hα-helixtrans-75-33.3173.1-75.8-2.8000111.9N204 I205 T210 V211N204-N207 PolarHBondContact O-N 3.04Å; I205-N207 VanDerWaalsContact C-N 3.27Å; I205-N207 PolarHBondContact O-N 3.05Å; N207-T210 WeakPolarHBondContact CA-OG1 3.49Å; N207-T210 PolarHBondContact O-OG1 2.96Å; N207-V211 WeakPolarHBondContact O-CB 3.25Å; N207-V211 VanDerWaalsContact O-CG2 3.23Å; N207-V211 WeakPolarHBondContact O-CG2 3.46Å; N207-V211 PolarHBondContact O-N 2.6Å; N207-V211 VanDerWaalsContact O-N 3.12Å
208A37.5Very low40.9Very low43 Ų43114.2 Ų114.236%0.35560%0.6SS.*Hα-helixtrans-68.1-45.3176.200000111.4N204 I205 V211 L212N204-A208 PolarHBondContact O-N 3.18Å; I205-A208 WeakPolarHBondContact O-CB 3.47Å; I205-A208 PolarHBondContact O-N 3.38Å; A208-V211 PolarHBondContact O-N 3.1Å; A208-L212 WeakPolarHBondContact O-CG 3.13Å; A208-L212 PolarHBondContact O-N 2.93Å
209V37.8Very low41.7Very low68 Ų68112.9 Ų112.941%0.41258%0.583SS.*Hα-helixtrans-59.5-50.1176.5175.20000111I205 V211 L212 E213I205-V209 HydrophobicContact CG2-CG2 4.26Å; I205-V209 WeakPolarHBondContact O-CG2 3.06Å; I205-V209 PolarHBondContact O-N 3.02Å; V209-V211 VanDerWaalsContact C-N 3.3Å; V209-V211 PolarHBondContact O-N 3.07Å; V209-L212 PolarHBondContact O-N 2.95Å; V209-L212 VanDerWaalsContact O-N 3.16Å; V209-E213 HydrophobicContact CG1-CG 4.49Å; V209-E213 WeakPolarHBondContact O-CG 3.22Å; V209-E213 PolarHBondContact O-N 3.22Å
210T41.7Very low42.6Very low57 Ų57109.4 Ų109.435%0.3556%0.556SS.*Hα-helixtrans-66.8-26.1-179.950.50000114N206 N207 K214N206-T210 WeakPolarHBondContact O-CG2 3.39Å; N206-T210 PolarHBondContact O-N 3.04Å; N206-T210 PolarHBondContact O-OG1 2.92Å; N207-T210 WeakPolarHBondContact CA-OG1 3.49Å; N207-T210 PolarHBondContact O-OG1 2.96Å; T210-K214 WeakPolarHBondContact O-CB 3.35Å; T210-K214 WeakPolarHBondContact O-CD 3.24Å; T210-K214 VanDerWaalsContact O-CG 3.23Å; T210-K214 WeakPolarHBondContact O-CG 3.12Å; T210-K214 PolarHBondContact O-N 3.17Å
211V47.4Very low43.3Very low89 Ų89112.9 Ų112.954%0.53955%0.551SS.*Hα-helixtrans-71.8-45.5170.3167.60000111N207 A208 V209 E213 K214 E215N207-V211 WeakPolarHBondContact O-CB 3.25Å; N207-V211 VanDerWaalsContact O-CG2 3.23Å; N207-V211 WeakPolarHBondContact O-CG2 3.46Å; N207-V211 PolarHBondContact O-N 2.6Å; N207-V211 VanDerWaalsContact O-N 3.12Å; A208-V211 PolarHBondContact O-N 3.1Å; V209-V211 VanDerWaalsContact C-N 3.3Å; V209-V211 PolarHBondContact O-N 3.07Å; V211-E213 PolarHBondContact O-N 3.1Å; V211-K214 PolarHBondContact O-N 3.29Å; V211-E215 PolarHBondContact O-N 2.79Å
212L46Very low44.1Very low124 Ų124113.7 Ų113.765%0.64955%0.546SS*.Hα-helixtrans-60.9-43.6176.7-71.5170.2000111.8A208 V209 E215 H216A208-L212 WeakPolarHBondContact O-CG 3.13Å; A208-L212 PolarHBondContact O-N 2.93Å; V209-L212 PolarHBondContact O-N 2.95Å; V209-L212 VanDerWaalsContact O-N 3.16Å; L212-E215 PolarHBondContact O-N 2.87Å; L212-H216 VanDerWaalsContact O-CB 3.29Å; L212-H216 WeakPolarHBondContact O-CB 3.22Å; L212-H216 PolarHBondContact O-N 2.92Å
213E42.3Very low44.6Very low93 Ų93109.2 Ų109.244%0.43553%0.526SS..Hα-helixtrans-60-45.8173.7-74.7-176.4-179.900112.8V209 V211 E215 H216 K217V209-E213 HydrophobicContact CG1-CG 4.49Å; V209-E213 WeakPolarHBondContact O-CG 3.22Å; V209-E213 PolarHBondContact O-N 3.22Å; V211-E213 PolarHBondContact O-N 3.1Å; E213-E215 VanDerWaalsContact C-N 3.33Å; E213-E215 PolarHBondContact O-N 2.78Å; E213-H216 PolarHBondContact O-N 3.28Å; E213-K217 WeakPolarHBondContact O-CB 3.17Å; E213-K217 WeakPolarHBondContact O-CG 3.4Å; E213-K217 PolarHBondContact O-N 3.26Å
214K50Low44.9Very low148 Ų148107 Ų10764%0.64351%0.511SS*.Hα-helixtrans-62.6-40.7178.8-80.6171.4-178.6170.70111.4T210 V211 R218T210-K214 WeakPolarHBondContact O-CB 3.35Å; T210-K214 WeakPolarHBondContact O-CD 3.24Å; T210-K214 VanDerWaalsContact O-CG 3.23Å; T210-K214 WeakPolarHBondContact O-CG 3.12Å; T210-K214 PolarHBondContact O-N 3.17Å; V211-K214 PolarHBondContact O-N 3.29Å; K214-R218 PolarHBondContact O-N 3.03Å
215E50.2Low45.1Very low92 Ų92109.4 Ų109.443%0.4352%0.519SS..Hα-helixtrans-73.1-37.8177.5-165169.2144.900112.2V211 L212 E213 R218 R219V211-E215 PolarHBondContact O-N 2.79Å; L212-E215 PolarHBondContact O-N 2.87Å; E213-E215 VanDerWaalsContact C-N 3.33Å; E213-E215 PolarHBondContact O-N 2.78Å; E215-R218 WeakPolarHBondContact O-CB 3.37Å; E215-R218 PolarHBondContact O-N 2.93Å; E215-R219 WeakPolarHBondContact O-CG 3.39Å; E215-R219 PolarHBondContact O-N 2.82Å; E215-R219 IonicContact OE1-CZ 3.13Å; E215-R219 IonicContact OE1-NE 2.72Å; E215-R219 PolarHBondContact OE1-NE 2.89Å; E215-R219 IonicContact OE1-NH2 2.66Å; E215-R219 PolarHBondContact OE1-NH2 2.97Å
216H50Low45Very low82 Ų82106.7 Ų106.738%0.3851%0.511SS..Hα-helixtrans-61.5-45.3173.3-162.499.5000111.4L212 E213 R218 R219 L220L212-H216 VanDerWaalsContact O-CB 3.29Å; L212-H216 WeakPolarHBondContact O-CB 3.22Å; L212-H216 PolarHBondContact O-N 2.92Å; E213-H216 PolarHBondContact O-N 3.28Å; H216-R218 VanDerWaalsContact C-N 3.32Å; H216-R218 PolarHBondContact O-N 2.57Å; H216-R219 PolarHBondContact O-N 2.98Å; H216-R219 VanDerWaalsContact O-N 3.14Å; H216-L220 PolarHBondContact O-N 3.48Å
217K51.1Low45.1Very low123 Ų123102.5 Ų102.554%0.53549%0.487SS..Hα-helixtrans-60.7-35.9173.1-76.3170.9177.1164.80112.5E213 R221E213-K217 WeakPolarHBondContact O-CB 3.17Å; E213-K217 WeakPolarHBondContact O-CG 3.4Å; E213-K217 PolarHBondContact O-N 3.26Å; K217-R221 PolarHBondContact O-N 2.8Å; K217-R221 VanDerWaalsContact O-N 3.08Å
218R51.4Low44.9Very low187 Ų187103.5 Ų103.571%0.70649%0.489SS*.Hα-helixtrans-63.9-47.4170.1-84.2-176.9168.3-173.1-3.1112.1K214 E215 H216 L220 R221 I222K214-R218 PolarHBondContact O-N 3.03Å; E215-R218 WeakPolarHBondContact O-CB 3.37Å; E215-R218 PolarHBondContact O-N 2.93Å; H216-R218 VanDerWaalsContact C-N 3.32Å; H216-R218 PolarHBondContact O-N 2.57Å; R218-L220 VanDerWaalsContact C-N 3.31Å; R218-L220 PolarHBondContact O-N 2.85Å; R218-R221 PolarHBondContact O-N 2.54Å; R218-R221 VanDerWaalsContact O-N 3.16Å; R218-I222 WeakPolarHBondContact O-CG1 3.34Å; R218-I222 PolarHBondContact O-N 2.88Å; R218-I222 VanDerWaalsContact O-N 3.09Å
219R51.5Low44.8Very low140 Ų140106.3 Ų106.353%0.52851%0.506SS..Hα-helixtrans-63.2-36.1179-68.1174.4-175.9-146.54.2111.7E215 H216 I222 K223E215-R219 WeakPolarHBondContact O-CG 3.39Å; E215-R219 PolarHBondContact O-N 2.82Å; E215-R219 IonicContact OE1-CZ 3.13Å; E215-R219 IonicContact OE1-NE 2.72Å; E215-R219 PolarHBondContact OE1-NE 2.89Å; E215-R219 IonicContact OE1-NH2 2.66Å; E215-R219 PolarHBondContact OE1-NH2 2.97Å; H216-R219 PolarHBondContact O-N 2.98Å; H216-R219 VanDerWaalsContact O-N 3.14Å; R219-I222 PolarHBondContact O-N 2.69Å; R219-K223 WeakPolarHBondContact O-CG 3.31Å; R219-K223 PolarHBondContact O-N 3.29Å; R219-K223 VanDerWaalsContact O-N 3.08Å
220L48.9Very low44.7Very low37 Ų37107.2 Ų107.219%0.19451%0.512CS..Hα-helixtrans-64.5-42.2170.9-79.4167.7000112.9H216 R218 I222 K223 K224H216-L220 PolarHBondContact O-N 3.48Å; R218-L220 VanDerWaalsContact C-N 3.31Å; R218-L220 PolarHBondContact O-N 2.85Å; L220-I222 VanDerWaalsContact C-N 3.32Å; L220-I222 PolarHBondContact O-N 3.01Å; L220-K223 WeakPolarHBondContact O-CB 3.05Å; L220-K223 PolarHBondContact O-N 2.93Å; L220-K224 PolarHBondContact O-N 3.38Å
221R43.5Very low44.5Very low191 Ų191106.1 Ų106.172%0.72151%0.505SS*.Hα-helixtrans-60.3-39.5173.6-78.7-174.8179.5174.10.2112.8K217 R218 K224 H225K217-R221 PolarHBondContact O-N 2.8Å; K217-R221 VanDerWaalsContact O-N 3.08Å; R218-R221 PolarHBondContact O-N 2.54Å; R218-R221 VanDerWaalsContact O-N 3.16Å; R221-K224 PolarHBondContact O-N 3.06Å; R221-H225 PolarHBondContact O-N 2.83Å
222I51.6Low44Very low123 Ų123103.8 Ų103.863%0.63150%0.499SS*.Hα-helixtrans-63.3-44.8175.6-64.4166.6000110.3R218 R219 L220 K224 H225 S226R218-I222 WeakPolarHBondContact O-CG1 3.34Å; R218-I222 PolarHBondContact O-N 2.88Å; R218-I222 VanDerWaalsContact O-N 3.09Å; R219-I222 PolarHBondContact O-N 2.69Å; L220-I222 VanDerWaalsContact C-N 3.32Å; L220-I222 PolarHBondContact O-N 3.01Å; I222-K224 PolarHBondContact O-N 3.4Å; I222-H225 PolarHBondContact O-N 3.35Å; I222-S226 PolarHBondContact O-N 3.23Å; I222-S226 VanDerWaalsContact O-N 3.15Å
223K46.2Very low43.7Very low125 Ų12599 Ų9954%0.54348%0.48SS..Hα-helixtrans-58.1-45.9172.6-70.5176.7178.5-179.20111.7R219 L220 H225 S226 F227R219-K223 WeakPolarHBondContact O-CG 3.31Å; R219-K223 PolarHBondContact O-N 3.29Å; R219-K223 VanDerWaalsContact O-N 3.08Å; L220-K223 WeakPolarHBondContact O-CB 3.05Å; L220-K223 PolarHBondContact O-N 2.93Å; K223-H225 PolarHBondContact O-N 2.96Å; K223-S226 PolarHBondContact O-N 3.49Å; K223-S226 PolarHBondContact O-OG 3.18Å; K223-F227 WeakPolarHBondContact O-CB 3.39Å; K223-F227 PolarHBondContact O-N 2.89Å
224K43.2Very low43.4Very low93 Ų9397.6 Ų97.640%0.40448%0.48SS..Hα-helixtrans-60-40.2179-167.3172.2-174.3172.20112.8L220 R221 I222 F227 Q228 E239L220-K224 PolarHBondContact O-N 3.38Å; R221-K224 PolarHBondContact O-N 3.06Å; I222-K224 PolarHBondContact O-N 3.4Å; K224-F227 PolarHBondContact O-N 3.2Å; K224-Q228 PolarHBondContact O-N 3.5Å; K224-E239 WeakPolarHBondContact CE-OE2 3.42Å; K224-E239 IonicContact NZ-OE1 3.37Å; K224-E239 IonicContact NZ-OE2 2.7Å; K224-E239 PolarHBondContact NZ-OE2 2.97Å
225H41.9Very low43.1Very low142 Ų14291.1 Ų91.166%0.65745%0.454SS*.Hα-helixtrans-67.6-38.8174.5-91-69000113.2R221 I222 K223 F227R221-H225 PolarHBondContact O-N 2.83Å; I222-H225 PolarHBondContact O-N 3.35Å; K223-H225 PolarHBondContact O-N 2.96Å; H225-F227 VanDerWaalsContact C-N 3.26Å; H225-F227 PolarHBondContact O-N 2.9Å
226S38.9Very low42.9Very low64 Ų6491.3 Ų91.345%0.44846%0.461SS..Hα-helixtrans-67.1-29.4174.572.60000112.8I222 K223 S229I222-S226 PolarHBondContact O-N 3.23Å; I222-S226 VanDerWaalsContact O-N 3.15Å; K223-S226 PolarHBondContact O-N 3.49Å; K223-S226 PolarHBondContact O-OG 3.18Å; S226-S229 PolarHBondContact O-N 3.15Å
227F37.3Very low43.2Very low31 Ų3192.2 Ų92.214%0.13647%0.469CS..Hα-helixtrans-72.2-28.2-176.6-175.9-117000114.4L175 K223 K224 H225 S229 T231 A235 R238L175-F227 HydrophobicContact CD1-CE1 4.36Å; L175-F227 HydrophobicContact CD1-CZ 4.07Å; L175-F227 HydrophobicContact CD2-CD1 4.13Å; L175-F227 HydrophobicContact CD2-CD2 3.48Å; L175-F227 VanDerWaalsContact CD2-CD2 3.48Å; L175-F227 HydrophobicContact CD2-CE1 3.89Å; L175-F227 HydrophobicContact CD2-CE2 3.22Å; L175-F227 HydrophobicContact CD2-CG 3.94Å; L175-F227 HydrophobicContact CD2-CZ 3.43Å; L175-F227 VanDerWaalsContact CD2-CZ 3.43Å; L175-F227 HydrophobicContact CG-CD2 4.33Å; L175-F227 HydrophobicContact CG-CE1 4.12Å; L175-F227 HydrophobicContact CG-CE2 3.57Å; L175-F227 HydrophobicContact CG-CZ 3.43Å; L175-F227 VanDerWaalsContact CG-CZ 3.43Å; K223-F227 WeakPolarHBondContact O-CB 3.39Å; K223-F227 PolarHBondContact O-N 2.89Å; K224-F227 PolarHBondContact O-N 3.2Å; H225-F227 VanDerWaalsContact C-N 3.26Å; H225-F227 PolarHBondContact O-N 2.9Å; F227-S229 PolarHBondContact O-N 2.92Å; F227-T231 HydrophobicContact CE2-CG2 4.19Å; F227-A235 HydrophobicContact CD1-CB 3.95Å; F227-A235 HydrophobicContact CE1-CB 4.18Å; F227-R238 VanDerWaalsContact CZ-NH1 3.27Å
228Q34.6Very low43.6Very low121 Ų12187.7 Ų87.757%0.56545%0.448SS*.THydrogen-bonded Turntrans-64.4-18.5177.5-83.2179.6-3300113.9K224 A235K224-Q228 PolarHBondContact O-N 3.5Å; Q228-A235 HydrophobicContact CG-CB 3.76Å
229S36Very low44.2Very low103 Ų10381.3 Ų81.372%0.7243%0.427SS*.THydrogen-bonded Turntrans-95.8-13.5-169.2-171.90000115.4S226 F227S226-S229 PolarHBondContact O-N 3.15Å; F227-S229 PolarHBondContact O-N 2.92Å
230T35.7Very low44.7Very low86 Ų8674.9 Ų74.953%0.52840%0.404SS..THydrogen-bonded Turntrans-135.51.2-158.649.40000116.9
231T36.5Very low46Very low35 Ų3577.3 Ų77.322%0.21542%0.417CS..  trans-128.6130.4169.567.50000112.2F227 G233 R238F227-T231 HydrophobicContact CE2-CG2 4.19Å; T231-G233 PolarHBondContact O-N 3.28Å; T231-R238 PolarHBondContact OG1-NH1 3.01Å
232G36.6Very low47.5Very low40 Ų4075.9 Ų75.941%0.41242%0.419SS..SBendtrans-75.245.1-177.600000114.9K501G232-K501 PolarHBondContact O-NZ 2.61Å
233G39.5Very low48.6Very low24 Ų2477.8 Ų77.825%0.24742%0.422CS..SBendtrans-144.4122.6161.200000105.4T231 R238T231-G233 PolarHBondContact O-N 3.28Å; G233-R238 PolarHBondContact O-NH1 2.75Å
234S36.8Very low50.1Low62 Ų6272.3 Ų72.343%0.43440%0.398SS..  trans-57144-169.2-172.90000110.2V236 D237S234-V236 PolarHBondContact O-N 3.4Å; S234-V236 WeakPolarHBondContact OG-CB 3.27Å; S234-V236 WeakPolarHBondContact OG-CG2 3.26Å; S234-V236 PolarHBondContact OG-N 3.23Å; S234-D237 PolarHBondContact N-OD2 3.34Å; S234-D237 PolarHBondContact O-N 3.04Å
235A43.3Very low51.8Low12 Ų1271.8 Ų71.810%0.09940%0.396CS..G310 helixtrans-55.6-26.5171.800000111.5F227 Q228 D237 R238F227-A235 HydrophobicContact CD1-CB 3.95Å; F227-A235 HydrophobicContact CE1-CB 4.18Å; Q228-A235 HydrophobicContact CG-CB 3.76Å; A235-D237 VanDerWaalsContact C-N 3.28Å; A235-D237 PolarHBondContact O-N 3.42Å; A235-R238 PolarHBondContact O-N 3.4Å
236V47.2Very low53.5Low97 Ų9769.6 Ų69.659%0.58840%0.397SS*.G310 helixtrans-60-30.6173.3-177.10000113S234S234-V236 PolarHBondContact O-N 3.4Å; S234-V236 WeakPolarHBondContact OG-CB 3.27Å; S234-V236 WeakPolarHBondContact OG-CG2 3.26Å; S234-V236 PolarHBondContact OG-N 3.23Å
237D55.1Low55.5Low101 Ų10169.3 Ų69.354%0.5439%0.387SS..G310 helixtrans-84.4-11.8-179.8-63.4-49.2000113.3S234 A235 K253S234-D237 PolarHBondContact N-OD2 3.34Å; S234-D237 PolarHBondContact O-N 3.04Å; A235-D237 VanDerWaalsContact C-N 3.28Å; A235-D237 PolarHBondContact O-N 3.42Å; D237-K253 WeakPolarHBondContact O-CD 3.37Å; D237-K253 PolarHBondContact O-NZ 3.36Å
238R60.8Low57.4Low27 Ų2774.4 Ų74.410%0.10242%0.424CS..SBendtrans-106.73.4-176.9-61.9-160.2-177.499.9-10.4114.4F227 T231 G233 A235 K253 D254 A255F227-R238 VanDerWaalsContact CZ-NH1 3.27Å; T231-R238 PolarHBondContact OG1-NH1 3.01Å; G233-R238 PolarHBondContact O-NH1 2.75Å; A235-R238 PolarHBondContact O-N 3.4Å; R238-K253 VanDerWaalsContact O-CB 3.22Å; R238-K253 WeakPolarHBondContact O-CB 3.47Å; R238-D254 HydrophobicContact CB-CB 4.49Å; R238-A255 VanDerWaalsContact O-CB 3.23Å; R238-A255 WeakPolarHBondContact O-CB 3.43Å; R238-A255 PolarHBondContact O-N 2.85Å; R238-A255 VanDerWaalsContact O-N 3.07Å
239E62.1Low59.7Low53 Ų5371 Ų7125%0.24841%0.409CS..SBendtrans-113.3151.6167.7-161.4175.6159.200108.1K224 N241 K245 D256K224-E239 WeakPolarHBondContact CE-OE2 3.42Å; K224-E239 IonicContact NZ-OE1 3.37Å; K224-E239 IonicContact NZ-OE2 2.7Å; K224-E239 PolarHBondContact NZ-OE2 2.97Å; E239-N241 PolarHBondContact O-N 2.58Å; E239-K245 IonicContact OE1-NZ 2.85Å; E239-K245 PolarHBondContact OE1-NZ 2.83Å; E239-D256 WeakPolarHBondContact CG-OD1 3.21Å
240A62.3Low62Low6 Ų667.4 Ų67.45%0.0538%0.383CS..  trans-62.9122.9168.700000109.7E244 K245 T251 L252 D256A240-E244 HydrophobicContact CB-CB 4.14Å; A240-E244 HydrophobicContact CB-CG 4.19Å; A240-K245 HydrophobicContact CB-CD 4.34Å; A240-K245 HydrophobicContact CB-CG 3.71Å; A240-K245 WeakPolarHBondContact O-CD 3.23Å; A240-K245 WeakPolarHBondContact O-CE 3.49Å; A240-T251 WeakPolarHBondContact CB-O 3.4Å; A240-L252 HydrophobicContact CB-CD2 4.08Å; A240-D256 PolarHBondContact N-OD2 3.41Å
241N76Confident64.4Low87 Ų8764.2 Ų64.247%0.46536%0.364SS..  trans-59.5154173.9-169.9-3.1000110E239 K243 E244 K245E239-N241 PolarHBondContact O-N 2.58Å; N241-K243 VanDerWaalsContact C-N 3.26Å; N241-K243 PolarHBondContact O-N 3.29Å; N241-E244 WeakPolarHBondContact O-CA 3.26Å; N241-E244 WeakPolarHBondContact O-CB 3.45Å; N241-E244 PolarHBondContact O-N 2.89Å; N241-K245 PolarHBondContact O-N 2.89Å
242E76.9Confident66.7Low162 Ų16263.6 Ų63.676%0.75736%0.359SS*.Hα-helixtrans-54.4-40.4-176.7-63.4178.5166.400112.4E244 K245 S246E242-E244 PolarHBondContact O-N 3.26Å; E242-K245 PolarHBondContact O-N 3.24Å; E242-K245 VanDerWaalsContact O-N 3.11Å; E242-S246 WeakPolarHBondContact O-CB 3.38Å; E242-S246 PolarHBondContact O-N 3.08Å; E242-S246 PolarHBondContact O-OG 2.73Å
243K74.5Confident69Low162 Ų16264.7 Ų64.770%0.70435%0.353SS*.Hα-helixtrans-62.9-17172.6-63-166.9177.2-164.80115.2N241 S246N241-K243 VanDerWaalsContact C-N 3.26Å; N241-K243 PolarHBondContact O-N 3.29Å; K243-S246 PolarHBondContact O-OG 3.31Å
244E77.4Confident70.9Confident10 Ų1064 Ų645%0.04734%0.343CS..Hα-helixtrans-89.6-43.8171.3-164.866.1-147.600110.4K88 A240 N241 E242 S246 K247 P250 T251K88-E244 IonicContact NZ-OE2 3.61Å; K88-E244 PolarHBondContact NZ-OE2 2.84Å; A240-E244 HydrophobicContact CB-CB 4.14Å; A240-E244 HydrophobicContact CB-CG 4.19Å; N241-E244 WeakPolarHBondContact O-CA 3.26Å; N241-E244 WeakPolarHBondContact O-CB 3.45Å; N241-E244 PolarHBondContact O-N 2.89Å; E242-E244 PolarHBondContact O-N 3.26Å; E244-S246 PolarHBondContact O-N 3.22Å; E244-K247 WeakPolarHBondContact O-CB 3.5Å; E244-K247 PolarHBondContact O-N 2.8Å; E244-K247 VanDerWaalsContact O-N 3.16Å; E244-K247 IonicContact OE1-NZ 3.34Å; E244-K247 PolarHBondContact OE1-NZ 3.41Å; E244-K247 VanDerWaalsContact OE1-NZ 3.14Å; E244-K247 IonicContact OE2-NZ 2.67Å; E244-K247 PolarHBondContact OE2-NZ 2.92Å; E244-P250 VanDerWaalsContact O-CB 3.28Å; E244-P250 WeakPolarHBondContact O-CB 3.12Å; E244-T251 VanDerWaalsContact OE1-CB 3.32Å; E244-T251 WeakPolarHBondContact OE1-CB 3.2Å; E244-T251 PolarHBondContact OE1-N 3.03Å; E244-T251 PolarHBondContact OE1-OG1 3.49Å
245K79.1Confident72.7Confident83 Ų8362 Ų6236%0.36133%0.331SS..Hα-helixtrans-64.5-23.7178-66.9-171.5169.7-170.10113.2E239 A240 N241 E242 K247 D256E239-K245 IonicContact OE1-NZ 2.85Å; E239-K245 PolarHBondContact OE1-NZ 2.83Å; A240-K245 HydrophobicContact CB-CD 4.34Å; A240-K245 HydrophobicContact CB-CG 3.71Å; A240-K245 WeakPolarHBondContact O-CD 3.23Å; A240-K245 WeakPolarHBondContact O-CE 3.49Å; N241-K245 PolarHBondContact O-N 2.89Å; E242-K245 PolarHBondContact O-N 3.24Å; E242-K245 VanDerWaalsContact O-N 3.11Å; K245-K247 VanDerWaalsContact C-N 3.31Å; K245-D256 WeakPolarHBondContact CE-OD1 3.26Å; K245-D256 IonicContact NZ-OD1 3.22Å; K245-D256 PolarHBondContact NZ-OD1 3.05Å
246S76Confident74.4Confident95 Ų9561.8 Ų61.866%0.66433%0.327SS*.THydrogen-bonded Turntrans-80.9-2.7175.268.70000114.7E242 K243 E244E242-S246 WeakPolarHBondContact O-CB 3.38Å; E242-S246 PolarHBondContact O-N 3.08Å; E242-S246 PolarHBondContact O-OG 2.73Å; K243-S246 PolarHBondContact O-OG 3.31Å; E244-S246 PolarHBondContact O-N 3.22Å
247K81.4Confident75.9Confident58 Ų5857.3 Ų57.325%0.25230%0.3SS..SBendtrans-80.3151.2175.4-64.8175.4-178.3170.20110T85 E244 K245 L249 P250T85-K247 PolarHBondContact O-NZ 3.5Å; E244-K247 WeakPolarHBondContact O-CB 3.5Å; E244-K247 PolarHBondContact O-N 2.8Å; E244-K247 VanDerWaalsContact O-N 3.16Å; E244-K247 IonicContact OE1-NZ 3.34Å; E244-K247 PolarHBondContact OE1-NZ 3.41Å; E244-K247 VanDerWaalsContact OE1-NZ 3.14Å; E244-K247 IonicContact OE2-NZ 2.67Å; E244-K247 PolarHBondContact OE2-NZ 2.92Å; K245-K247 VanDerWaalsContact C-N 3.31Å; K247-L249 PolarHBondContact O-N 3.32Å; K247-P250 WeakPolarHBondContact O-CD 3.33Å
248P78.3Confident76.8Confident139 Ų13956 Ų5690%0.90329%0.293SS*.SBendtrans-59.5-33.3176.623.7-34.1000112.7
249L83.3Confident77.2Confident50 Ų5058.7 Ų58.726%0.26231%0.312SS..SBendtrans-124.886.7171.6-173.762.1000110.9I165 H166 K168 K247I165-L249 HydrophobicContact CB-CD2 4.05Å; I165-L249 HydrophobicContact CG2-CD1 4.37Å; I165-L249 HydrophobicContact CG2-CD2 4.08Å; I165-L249 VanDerWaalsContact O-CD1 3.28Å; I165-L249 WeakPolarHBondContact O-CD1 3.39Å; I165-L249 WeakPolarHBondContact O-CD2 3.28Å; H166-L249 WeakPolarHBondContact O-CD1 3.42Å; K168-L249 HydrophobicContact CB-CD1 4.39Å; K168-L249 HydrophobicContact CB-CG 4.4Å; K168-L249 PolarHBondContact NZ-O 2.9Å; K247-L249 PolarHBondContact O-N 3.32Å
250P84.2Confident77.6Confident26 Ų2659.9 Ų59.917%0.16932%0.32CS..  trans-67.9145.3-176.529.8-35.9000111.5E244 K247 L252E244-P250 VanDerWaalsContact O-CB 3.28Å; E244-P250 WeakPolarHBondContact O-CB 3.12Å; K247-P250 WeakPolarHBondContact O-CD 3.33Å; P250-L252 HydrophobicContact CB-CD2 4.18Å; P250-L252 HydrophobicContact CB-CG 4.46Å; P250-L252 HydrophobicContact CG-CD2 4.18Å; P250-L252 HydrophobicContact CG-CG 4.24Å; P250-L252 PolarHBondContact O-N 3.17Å
251T84.9Confident77.6Confident20 Ų2064.5 Ų64.512%0.12334%0.344CS..EExtended strand (participates in β ladder)trans-87.891.1167.3-37.60000108.7K168 D170 A240 E244K168-T251 HydrophobicContact CD-CG2 4.28Å; K168-T251 WeakPolarHBondContact CE-OG1 3.41Å; K168-T251 HydrophobicContact CG-CG2 4.34Å; K168-T251 PolarHBondContact NZ-OG1 3.46Å; D170-T251 HydrophobicContact CB-CG2 3.82Å; A240-T251 WeakPolarHBondContact CB-O 3.4Å; E244-T251 VanDerWaalsContact OE1-CB 3.32Å; E244-T251 WeakPolarHBondContact OE1-CB 3.2Å; E244-T251 PolarHBondContact OE1-N 3.03Å; E244-T251 PolarHBondContact OE1-OG1 3.49Å
252L84.9Confident77.1Confident22 Ų2261.6 Ų61.612%0.11533%0.33CS..EExtended strand (participates in β ladder)trans-72.3159.7177.7-62.4179.5000110.8K168 Y169 D170 A240 P250 D256K168-L252 WeakPolarHBondContact O-CB 3.39Å; K168-L252 PolarHBondContact O-N 3.27Å; Y169-L252 CarbonylContact C-O 3.53Å; Y169-L252 VanDerWaalsContact CA-O 3.31Å; Y169-L252 WeakPolarHBondContact CA-O 3.25Å; Y169-L252 HydrophobicContact CD1-CB 3.41Å; Y169-L252 VanDerWaalsContact CD1-CB 3.41Å; Y169-L252 HydrophobicContact CD1-CD1 4.14Å; Y169-L252 HydrophobicContact CD1-CG 4.4Å; Y169-L252 HydrophobicContact CE1-CB 3.62Å; Y169-L252 HydrophobicContact CE1-CD1 3.47Å; Y169-L252 VanDerWaalsContact CE1-CD1 3.47Å; Y169-L252 HydrophobicContact CE1-CG 4.19Å; Y169-L252 HydrophobicContact CG-CB 4.26Å; D170-L252 PolarHBondContact N-O 3.1Å; A240-L252 HydrophobicContact CB-CD2 4.08Å; P250-L252 HydrophobicContact CB-CD2 4.18Å; P250-L252 HydrophobicContact CB-CG 4.46Å; P250-L252 HydrophobicContact CG-CD2 4.18Å; P250-L252 HydrophobicContact CG-CG 4.24Å; P250-L252 PolarHBondContact O-N 3.17Å; L252-D256 HydrophobicContact CB-CB 3.87Å; L252-D256 HydrophobicContact CD2-CB 4.1Å; L252-D256 HydrophobicContact CG-CB 4.4Å
253K84.6Confident77.1Confident63 Ų6358.2 Ų58.227%0.27431%0.313SS..EExtended strand (participates in β ladder)trans-125.5175.4-174.6-73-174.4174.9176.30113.6D170 D237 R238 A255 D256 F257D170-K253 WeakPolarHBondContact O-CA 3.38Å; D237-K253 WeakPolarHBondContact O-CD 3.37Å; D237-K253 PolarHBondContact O-NZ 3.36Å; R238-K253 VanDerWaalsContact O-CB 3.22Å; R238-K253 WeakPolarHBondContact O-CB 3.47Å; K253-A255 PolarHBondContact O-N 3.12Å; K253-D256 PolarHBondContact N-OD2 2.85Å; K253-D256 WeakPolarHBondContact O-CA 3.31Å; K253-D256 WeakPolarHBondContact O-CB 3.4Å; K253-D256 PolarHBondContact O-N 2.96Å; K253-F257 PolarHBondContact O-N 3.28Å
254D79.4Confident77.4Confident9 Ų950.6 Ų50.65%0.04828%0.28CS..Hα-helixtrans-18.4-56.2163.1-66-28.6000116.1L171 K172 N173 L175 R238L171-D254 WeakPolarHBondContact CA-OD1 3.49Å; K172-D254 PolarHBondContact N-OD1 3.16Å; N173-D254 VanDerWaalsContact CA-OD1 3.24Å; N173-D254 WeakPolarHBondContact CA-OD1 3.36Å; N173-D254 HydrophobicContact CB-CB 4.25Å; N173-D254 WeakPolarHBondContact CB-OD1 3.48Å; N173-D254 PolarHBondContact N-OD1 2.85Å; L175-D254 HydrophobicContact CD1-CB 4.23Å; R238-D254 HydrophobicContact CB-CB 4.49Å
255A74.6Confident77.9Confident21 Ų2153.4 Ų53.417%0.17429%0.293CS..Hα-helixtrans-83.3-28.2-175.800000113.7R238 K253 T259R238-A255 VanDerWaalsContact O-CB 3.23Å; R238-A255 WeakPolarHBondContact O-CB 3.43Å; R238-A255 PolarHBondContact O-N 2.85Å; R238-A255 VanDerWaalsContact O-N 3.07Å; K253-A255 PolarHBondContact O-N 3.12Å; A255-T259 WeakPolarHBondContact O-CB 3.25Å; A255-T259 PolarHBondContact O-N 2.91Å; A255-T259 PolarHBondContact O-OG1 2.73Å
256D80Confident78.4Confident6 Ų649.6 Ų49.63%0.03228%0.276CS..Hα-helixtrans-68.7-47.9174.6-59.6-68.8000110E239 A240 K245 L252 K253 L258 T259 D260E239-D256 WeakPolarHBondContact CG-OD1 3.21Å; A240-D256 PolarHBondContact N-OD2 3.41Å; K245-D256 WeakPolarHBondContact CE-OD1 3.26Å; K245-D256 IonicContact NZ-OD1 3.22Å; K245-D256 PolarHBondContact NZ-OD1 3.05Å; L252-D256 HydrophobicContact CB-CB 3.87Å; L252-D256 HydrophobicContact CD2-CB 4.1Å; L252-D256 HydrophobicContact CG-CB 4.4Å; K253-D256 PolarHBondContact N-OD2 2.85Å; K253-D256 WeakPolarHBondContact O-CA 3.31Å; K253-D256 WeakPolarHBondContact O-CB 3.4Å; K253-D256 PolarHBondContact O-N 2.96Å; D256-L258 VanDerWaalsContact C-N 3.31Å; D256-L258 PolarHBondContact O-N 2.86Å; D256-T259 CarbonylContact O-C 3.59Å; D256-T259 WeakPolarHBondContact O-CA 3.44Å; D256-T259 WeakPolarHBondContact O-CB 3.28Å; D256-T259 PolarHBondContact O-N 2.76Å; D256-D260 PolarHBondContact O-N 2.95Å
257F78.2Confident79Confident4 Ų446.1 Ų46.12%0.01826%0.255CS..Hα-helixtrans-54.2-45.3179-170.5-84.1000112.5Y169 L171 K253 T259 C262 C528Y169-F257 HydrophobicContact CD1-CB 3.86Å; Y169-F257 AromaticContact CD1-CD2 3.62Å; Y169-F257 HydrophobicContact CD1-CD2 3.62Å; Y169-F257 HydrophobicContact CD1-CG 4.24Å; Y169-F257 AromaticContact CD2-CD2 3.96Å; Y169-F257 HydrophobicContact CD2-CD2 3.96Å; Y169-F257 HydrophobicContact CD2-CE2 4.32Å; Y169-F257 HydrophobicContact CE1-CB 4.08Å; Y169-F257 AromaticContact CE1-CD2 3.87Å; Y169-F257 HydrophobicContact CE1-CD2 3.87Å; Y169-F257 HydrophobicContact CE1-CG 4.43Å; Y169-F257 HydrophobicContact CE2-CD2 4.19Å; Y169-F257 AromaticContact CG-CD2 3.67Å; Y169-F257 HydrophobicContact CG-CD2 3.67Å; Y169-F257 HydrophobicContact CG-CE2 4.42Å; L171-F257 HydrophobicContact CD1-CD2 4.35Å; L171-F257 HydrophobicContact CD2-CB 3.97Å; L171-F257 HydrophobicContact CD2-CD2 4.39Å; L171-F257 HydrophobicContact CD2-CG 4.22Å; K253-F257 PolarHBondContact O-N 3.28Å; F257-T259 VanDerWaalsContact C-N 3.31Å; F257-T259 PolarHBondContact O-N 3.03Å; F257-C262 HydrophobicContact CD2-CB 4.17Å; F257-C262 HydrophobicContact CE1-CB 4.34Å; F257-C262 WeakPolarHBondContact CE1-O 2.96Å; F257-C262 HydrophobicContact CE2-CB 3.97Å; F257-C262 HydrophobicContact CG-CB 4.47Å; F257-C262 HydrophobicContact CZ-CB 4.06Å; F257-C262 WeakPolarHBondContact CZ-O 3.17Å; F257-C262 PolarHBondContact O-N 2.78Å; F257-C528 HydrophobicContact CE1-CB 3.6Å; F257-C528 WeakPolarHBondContact CE1-SG 3.5Å; F257-C528 HydrophobicContact CZ-CB 3.88Å
258L74.4Confident79.5Confident73 Ų7351.4 Ų51.438%0.38228%0.281SS..Hα-helixtrans-69.3-25.2175.3-70.8173.8000113.8L175 D256 F524L175-L258 HydrophobicContact CD1-CD1 4.43Å; D256-L258 VanDerWaalsContact C-N 3.31Å; D256-L258 PolarHBondContact O-N 2.86Å; L258-F524 HydrophobicContact CD1-CE2 4.26Å; L258-F524 HydrophobicContact CD2-CE2 4.12Å; L258-F524 HydrophobicContact CG-CE2 4.22Å
259T69.4Low80.2Confident83 Ų8352.9 Ų52.951%0.50928%0.276SS..Hα-helixtrans-82.5-34.6178.9-60.10000111.7A255 D256 F257 L261A255-T259 WeakPolarHBondContact O-CB 3.25Å; A255-T259 PolarHBondContact O-N 2.91Å; A255-T259 PolarHBondContact O-OG1 2.73Å; D256-T259 CarbonylContact O-C 3.59Å; D256-T259 WeakPolarHBondContact O-CA 3.44Å; D256-T259 WeakPolarHBondContact O-CB 3.28Å; D256-T259 PolarHBondContact O-N 2.76Å; F257-T259 VanDerWaalsContact C-N 3.31Å; F257-T259 PolarHBondContact O-N 3.03Å; T259-L261 PolarHBondContact O-N 3.09Å
260D69.1Low80.6Confident78 Ų7852.9 Ų52.942%0.41728%0.28SS..THydrogen-bonded Turntrans-67.3-10.7176-70.2-12.3000112.9Y169 D256 C262Y169-D260 WeakPolarHBondContact CE1-OD2 3.41Å; Y169-D260 PolarHBondContact OH-OD2 3.19Å; D256-D260 PolarHBondContact O-N 2.95Å; D260-C262 HydrophobicContact CB-CB 4.05Å; D260-C262 PolarHBondContact O-N 3.23Å
261L62.4Low81Confident103 Ų10353.8 Ų53.854%0.53928%0.281SS..THydrogen-bonded Turntrans52.328.7-166.5-60.5173.8000111.9T259 K263T259-L261 PolarHBondContact O-N 3.09Å; L261-K263 PolarHBondContact O-N 3.41Å
262C66Low81.5Confident27 Ų2760.3 Ų60.318%0.18231%0.308CS..  trans-67.2122.4-177.3-171.30000108.9F257 D260F257-C262 HydrophobicContact CD2-CB 4.17Å; F257-C262 HydrophobicContact CE1-CB 4.34Å; F257-C262 WeakPolarHBondContact CE1-O 2.96Å; F257-C262 HydrophobicContact CE2-CB 3.97Å; F257-C262 HydrophobicContact CG-CB 4.47Å; F257-C262 HydrophobicContact CZ-CB 4.06Å; F257-C262 WeakPolarHBondContact CZ-O 3.17Å; F257-C262 PolarHBondContact O-N 2.78Å; D260-C262 HydrophobicContact CB-CB 4.05Å; D260-C262 PolarHBondContact O-N 3.23Å
263K76Confident81.9Confident90 Ų9065 Ų6539%0.39133%0.328SS..  trans-123.7140.4168.2-66.5-166.4-177.4-176.20109.5L261 H265 C528 D530L261-K263 PolarHBondContact O-N 3.41Å; K263-H265 PolarHBondContact O-N 3.1Å; K263-H265 PolarHBondContact O-ND1 2.62Å; K263-C528 WeakPolarHBondContact CA-O 2.8Å; K263-D530 HydrophobicContact CD-CB 4.2Å; K263-D530 WeakPolarHBondContact CD-OD1 3.37Å; K263-D530 WeakPolarHBondContact CD-OD2 3.46Å; K263-D530 WeakPolarHBondContact CE-OD2 3.31Å; K263-D530 IonicContact NZ-OD1 3.63Å; K263-D530 PolarHBondContact NZ-OD1 3.49Å; K263-D530 IonicContact NZ-OD2 3.01Å; K263-D530 PolarHBondContact NZ-OD2 3.27Å
264M82.8Confident82.4Confident3 Ų362.3 Ų62.32%0.01532%0.316CS..BIsolated β-bridgetrans-85.2109.7175.7-58.1175.577.300107.6I266 I297 Y479 V481 C528 I529 D530M264-I266 HydrophobicContact CB-CD1 3.87Å; M264-I266 HydrophobicContact CB-CG1 4.09Å; M264-I266 HydrophobicContact CE-CD1 3.74Å; M264-I266 PolarHBondContact O-N 3.42Å; M264-I297 HydrophobicContact CE-CD1 4.24Å; M264-I297 HydrophobicContact CE-CG2 4.19Å; M264-I297 HydrophobicContact SD-CD1 3.7Å; M264-Y479 HydrophobicContact CB-CE1 4.36Å; M264-Y479 HydrophobicContact CB-CE2 4.35Å; M264-Y479 HydrophobicContact CE-CD1 3.91Å; M264-Y479 HydrophobicContact CE-CD2 4.3Å; M264-Y479 HydrophobicContact CE-CG 3.71Å; M264-Y479 HydrophobicContact CG-CD1 4.33Å; M264-Y479 HydrophobicContact CG-CE1 4.21Å; M264-V481 HydrophobicContact CE-CG2 3.54Å; M264-C528 PolarHBondContact N-O 3.24Å; M264-I529 HydrophobicContact CB-CG1 4.31Å; M264-I529 WeakPolarHBondContact O-CA 3.34Å; M264-I529 WeakPolarHBondContact O-CG2 3.19Å; M264-I529 HydrophobicContact SD-CG1 4.4Å; M264-D530 PolarHBondContact O-N 2.86Å
265H86.8Confident83.1Confident68 Ų6863 Ų6332%0.31532%0.319SS..  trans-8689.9178.2-6190.8000107.7K263 S469 S470 Y479K263-H265 PolarHBondContact O-N 3.1Å; K263-H265 PolarHBondContact O-ND1 2.62Å; H265-S469 CarbonylContact O-C 3.51Å; H265-S469 WeakPolarHBondContact O-CA 3.18Å; H265-S469 VanDerWaalsContact O-CB 3.3Å; H265-S469 WeakPolarHBondContact O-CB 3.48Å; H265-S470 PolarHBondContact O-N 3.39Å; H265-Y479 PolarHBondContact N-OH 2.85Å
266I88.8Confident84.1Confident4 Ų464.6 Ų64.62%0.02133%0.329CS..  trans-116.9128.7-173.5-63.6172.9000108.6M264 S270 K271 M274 I467 Y479 I529 D530M264-I266 HydrophobicContact CB-CD1 3.87Å; M264-I266 HydrophobicContact CB-CG1 4.09Å; M264-I266 HydrophobicContact CE-CD1 3.74Å; M264-I266 PolarHBondContact O-N 3.42Å; I266-S270 VanDerWaalsContact CG2-CB 3.43Å; I266-K271 HydrophobicContact CG2-CB 4.34Å; I266-M274 HydrophobicContact CD1-CE 3.86Å; I266-M274 HydrophobicContact CD1-SD 4.37Å; I266-I467 HydrophobicContact CD1-CG2 4.17Å; I266-I467 HydrophobicContact CG1-CG2 4.33Å; I266-I467 HydrophobicContact CG2-CG2 3.82Å; I266-Y479 HydrophobicContact CD1-CD2 4.1Å; I266-Y479 HydrophobicContact CG1-CD2 3.85Å; I266-Y479 HydrophobicContact CG1-CE2 3.9Å; I266-I529 HydrophobicContact CB-CG2 4.06Å; I266-I529 HydrophobicContact CD1-CG2 4.4Å; I266-I529 HydrophobicContact CG1-CG2 4.47Å; I266-D530 PolarHBondContact N-O 3.02Å
267G89.4Confident84.8Confident21 Ų2165.6 Ų65.622%0.21634%0.335CS..  trans-56.2145179.700000112.7E269 S270 K271G267-E269 VanDerWaalsContact C-N 3.28Å; G267-E269 PolarHBondContact O-N 2.84Å; G267-E269 VanDerWaalsContact O-N 3.1Å; G267-S270 WeakPolarHBondContact O-CA 3.3Å; G267-S270 WeakPolarHBondContact O-CB 3.31Å; G267-S270 PolarHBondContact O-N 3.01Å; G267-K271 PolarHBondContact O-N 3.32Å
268E91.3Very high85.7Confident170 Ų17065.4 Ų65.479%0.79434%0.335SS*.Hα-helixtrans-51.5-41.4-167.8-169.8-176.3166.900113.9K271 K272E268-K271 PolarHBondContact O-N 3.03Å; E268-K272 VanDerWaalsContact O-CB 3.31Å; E268-K272 WeakPolarHBondContact O-CB 3.42Å; E268-K272 PolarHBondContact O-N 3.07Å
269E92.7Very high86.7Confident169 Ų16967 Ų6779%0.7934%0.34SS*.Hα-helixtrans-62-45.1176.2-175.1-178.3-173.800112.3G267 K272 K273G267-E269 VanDerWaalsContact C-N 3.28Å; G267-E269 PolarHBondContact O-N 2.84Å; G267-E269 VanDerWaalsContact O-N 3.1Å; E269-K272 PolarHBondContact O-N 3.44Å; E269-K273 WeakPolarHBondContact O-CB 3.23Å; E269-K273 PolarHBondContact O-N 2.7Å
270S92.3Very high88Confident51 Ų5166.1 Ų66.136%0.35734%0.337SS..Hα-helixtrans-70.2-36.6178.3-70.50000111.7I266 G267 K273 M274I266-S270 VanDerWaalsContact CG2-CB 3.43Å; G267-S270 WeakPolarHBondContact O-CA 3.3Å; G267-S270 WeakPolarHBondContact O-CB 3.31Å; G267-S270 PolarHBondContact O-N 3.01Å; S270-K273 PolarHBondContact O-N 3Å; S270-M274 VanDerWaalsContact O-CB 3.28Å; S270-M274 WeakPolarHBondContact O-CB 3.22Å; S270-M274 PolarHBondContact O-N 3.1Å
271K93.2Very high89.3Confident44 Ų4462.4 Ų62.419%0.19132%0.317CS..Hα-helixtrans-60-50.9172.2179.5174-165.3167.30110.7I266 G267 E268 M274 L275 I529 D530I266-K271 HydrophobicContact CG2-CB 4.34Å; G267-K271 PolarHBondContact O-N 3.32Å; E268-K271 PolarHBondContact O-N 3.03Å; K271-M274 PolarHBondContact O-N 3.43Å; K271-L275 HydrophobicContact CG-CD1 4.05Å; K271-L275 WeakPolarHBondContact O-CB 3.43Å; K271-L275 WeakPolarHBondContact O-CG 3.32Å; K271-L275 PolarHBondContact O-N 3.14Å; K271-I529 HydrophobicContact CB-CG2 4.38Å; K271-I529 HydrophobicContact CD-CB 4.43Å; K271-I529 HydrophobicContact CD-CG2 3.67Å; K271-I529 HydrophobicContact CG-CG2 3.85Å; K271-I529 PolarHBondContact NZ-O 2.74Å; K271-D530 PolarHBondContact NZ-OXT 3.35Å
272K94.3Very high90.8Very high157 Ų15757.8 Ų57.868%0.68329%0.293SS*.Hα-helixtrans-60.7-45.7177.2-176.3177.8-179.5178.50112.1E268 E269 S276E268-K272 VanDerWaalsContact O-CB 3.31Å; E268-K272 WeakPolarHBondContact O-CB 3.42Å; E268-K272 PolarHBondContact O-N 3.07Å; E269-K272 PolarHBondContact O-N 3.44Å; K272-S276 WeakPolarHBondContact O-CB 3.39Å; K272-S276 PolarHBondContact O-N 3.16Å; K272-S276 PolarHBondContact O-OG 3.46Å
273K94.2Very high92.2Very high122 Ų12261.5 Ų61.553%0.5331%0.308SS..Hα-helixtrans-58.6-54.7175.7-173.8-177.6177.1-171.80110.5E269 S270 L275 S276 T277E269-K273 WeakPolarHBondContact O-CB 3.23Å; E269-K273 PolarHBondContact O-N 2.7Å; S270-K273 PolarHBondContact O-N 3Å; K273-L275 PolarHBondContact O-N 2.89Å; K273-S276 PolarHBondContact O-N 3.11Å; K273-S276 PolarHBondContact O-OG 2.64Å; K273-T277 PolarHBondContact O-N 3.08Å; K273-T277 PolarHBondContact O-OG1 2.97Å; K273-T277 VanDerWaalsContact O-OG1 3.12Å
274M94.2Very high93.1Very high6 Ų657.5 Ų57.53%0.0329%0.29CS..Hα-helixtrans-59.1-45.5-177.9-175.5-179.763.400112.5L133 I266 S270 K271 T277 L278 I467 V481 I529L133-M274 HydrophobicContact CD1-CG 4.22Å; I266-M274 HydrophobicContact CD1-CE 3.86Å; I266-M274 HydrophobicContact CD1-SD 4.37Å; S270-M274 VanDerWaalsContact O-CB 3.28Å; S270-M274 WeakPolarHBondContact O-CB 3.22Å; S270-M274 PolarHBondContact O-N 3.1Å; K271-M274 PolarHBondContact O-N 3.43Å; M274-T277 PolarHBondContact O-N 3.35Å; M274-L278 VanDerWaalsContact O-CB 3.26Å; M274-L278 WeakPolarHBondContact O-CB 3.41Å; M274-L278 PolarHBondContact O-N 3.22Å; M274-I467 HydrophobicContact CB-CD1 4.06Å; M274-I467 HydrophobicContact CG-CD1 3.87Å; M274-I467 HydrophobicContact SD-CD1 3.37Å; M274-I467 WeakPolarHBondContact SD-CD1 3.41Å; M274-V481 HydrophobicContact SD-CB 4.31Å; M274-V481 HydrophobicContact SD-CG1 4.1Å; M274-V481 HydrophobicContact SD-CG2 4.17Å; M274-I529 HydrophobicContact CE-CD1 3.26Å; M274-I529 HydrophobicContact CE-CG1 3.93Å
275L94.6Very high93.7Very high23 Ų2357.4 Ų57.412%0.1229%0.289CS..Hα-helixtrans-63.7-43.5177.4-70.7174000111.6K271 K273 T277 L278 E279 L522 V525 E526 I529K271-L275 HydrophobicContact CG-CD1 4.05Å; K271-L275 WeakPolarHBondContact O-CB 3.43Å; K271-L275 WeakPolarHBondContact O-CG 3.32Å; K271-L275 PolarHBondContact O-N 3.14Å; K273-L275 PolarHBondContact O-N 2.89Å; L275-T277 PolarHBondContact O-N 2.85Å; L275-L278 PolarHBondContact O-N 3.37Å; L275-E279 WeakPolarHBondContact O-CB 3.46Å; L275-E279 WeakPolarHBondContact O-CG 3.32Å; L275-E279 PolarHBondContact O-N 3.36Å; L275-L522 HydrophobicContact CD2-CD1 4.28Å; L275-V525 HydrophobicContact CD2-CG1 4.37Å; L275-E526 HydrophobicContact CD1-CG 4.42Å; L275-E526 HydrophobicContact CD2-CB 4.42Å; L275-I529 HydrophobicContact CD2-CD1 4.11Å; L275-I529 HydrophobicContact CG-CD1 4.43Å
276S95.6Very high93.9Very high55 Ų5556.4 Ų56.439%0.38529%0.285SS..Hα-helixtrans-63.7-37.5177.269.50000113.2K272 K273 C280K272-S276 WeakPolarHBondContact O-CB 3.39Å; K272-S276 PolarHBondContact O-N 3.16Å; K272-S276 PolarHBondContact O-OG 3.46Å; K273-S276 PolarHBondContact O-N 3.11Å; K273-S276 PolarHBondContact O-OG 2.64Å; S276-C280 PolarHBondContact O-N 3.39Å; S276-C280 PolarHBondContact O-SG 2.93Å; S276-C280 VanDerWaalsContact O-SG 3.4Å
277T96.2Very high94.1Very high26 Ų2662 Ų6216%0.1631%0.311CS..Hα-helixtrans-67.5-44.5173.6-53.20000111L133 K273 M274 L275 E279 C280 D281L133-T277 HydrophobicContact CG-CG2 4.04Å; K273-T277 PolarHBondContact O-N 3.08Å; K273-T277 PolarHBondContact O-OG1 2.97Å; K273-T277 VanDerWaalsContact O-OG1 3.12Å; M274-T277 PolarHBondContact O-N 3.35Å; L275-T277 PolarHBondContact O-N 2.85Å; T277-E279 VanDerWaalsContact C-N 3.32Å; T277-E279 PolarHBondContact O-N 2.62Å; T277-C280 PolarHBondContact O-N 3.1Å; T277-D281 WeakPolarHBondContact O-CB 3.42Å; T277-D281 PolarHBondContact O-N 3.48Å
278L95.4Very high94.2Very high1 Ų162.1 Ų62.11%0.00531%0.307CS..Hα-helixtrans-62-37.7178-177.559.4000112.2L133 M274 L275 I282 L295 I483 L522 V525L133-L278 HydrophobicContact CD1-CB 3.95Å; L133-L278 HydrophobicContact CD1-CD1 4.2Å; M274-L278 VanDerWaalsContact O-CB 3.26Å; M274-L278 WeakPolarHBondContact O-CB 3.41Å; M274-L278 PolarHBondContact O-N 3.22Å; L275-L278 PolarHBondContact O-N 3.37Å; L278-I282 HydrophobicContact CD1-CD1 3.73Å; L278-I282 HydrophobicContact CD1-CG1 4.07Å; L278-I282 HydrophobicContact CG-CD1 3.76Å; L278-I282 HydrophobicContact CG-CG1 4.45Å; L278-I282 VanDerWaalsContact O-CB 3.23Å; L278-I282 WeakPolarHBondContact O-CB 3.33Å; L278-I282 WeakPolarHBondContact O-CG1 3.38Å; L278-I282 PolarHBondContact O-N 3.01Å; L278-L295 HydrophobicContact CD1-CD1 4.31Å; L278-I483 HydrophobicContact CD1-CD1 3.88Å; L278-I483 HydrophobicContact CD1-CG1 4.23Å; L278-L522 HydrophobicContact CD2-CD1 4.06Å; L278-L522 HydrophobicContact CG-CD1 4.14Å; L278-V525 HydrophobicContact CD2-CB 3.96Å; L278-V525 HydrophobicContact CD2-CG1 3.69Å; L278-V525 HydrophobicContact CD2-CG2 4.13Å
279E95.6Very high94.1Very high106 Ų10657.4 Ų57.450%0.49529%0.287SS..Hα-helixtrans-60.5-51172.8-79.6174.6-176.800111.9L275 T277 D281 I282 Q283 L522L275-E279 WeakPolarHBondContact O-CB 3.46Å; L275-E279 WeakPolarHBondContact O-CG 3.32Å; L275-E279 PolarHBondContact O-N 3.36Å; T277-E279 VanDerWaalsContact C-N 3.32Å; T277-E279 PolarHBondContact O-N 2.62Å; E279-D281 PolarHBondContact O-N 3.38Å; E279-I282 PolarHBondContact O-N 2.91Å; E279-Q283 WeakPolarHBondContact O-CB 3.36Å; E279-Q283 PolarHBondContact O-N 3.4Å; E279-L522 HydrophobicContact CG-CD1 3.79Å; E279-L522 HydrophobicContact CG-CD2 3.6Å; E279-L522 HydrophobicContact CG-CG 4.36Å
280C96.3Very high94.1Very high65 Ų6549.3 Ų49.344%0.43925%0.249SC..Hα-helixtrans-62.6-41177.4-66.80000112.4Y124 S276 T277 Q283 F284Y124-C280 WeakPolarHBondContact OH-CB 3.39Å; Y124-C280 PolarHBondContact OH-O 3.13Å; S276-C280 PolarHBondContact O-N 3.39Å; S276-C280 PolarHBondContact O-SG 2.93Å; S276-C280 VanDerWaalsContact O-SG 3.4Å; T277-C280 PolarHBondContact O-N 3.1Å; C280-Q283 PolarHBondContact O-N 3.44Å; C280-F284 PolarHBondContact O-N 3.05Å
281D97Very high93.9Very high0 Ų047 Ų470%023%0.233CC..Hα-helixtrans-65.9-43.9178.4-69.7-26.1000111.1Y124 T132 L133 L134 T277 E279 Q283 F284 L285 I483Y124-D281 WeakPolarHBondContact CE1-OD1 3.24Å; Y124-D281 WeakPolarHBondContact OH-CA 3.45Å; Y124-D281 PolarHBondContact OH-N 3.23Å; Y124-D281 VanDerWaalsContact OH-N 3.1Å; Y124-D281 PolarHBondContact OH-OD1 3.3Å; T132-D281 WeakPolarHBondContact CB-OD1 3.32Å; T132-D281 VanDerWaalsContact OG1-CG 3.22Å; T132-D281 PolarHBondContact OG1-OD1 2.96Å; T132-D281 PolarHBondContact OG1-OD2 3.07Å; L133-D281 WeakPolarHBondContact CA-OD2 3.26Å; L133-D281 VanDerWaalsContact CB-OD2 3.26Å; L133-D281 WeakPolarHBondContact CB-OD2 3.21Å; L133-D281 PolarHBondContact N-OD2 2.87Å; L134-D281 HydrophobicContact CD2-CB 4.22Å; L134-D281 HydrophobicContact CG-CB 4.04Å; T277-D281 WeakPolarHBondContact O-CB 3.42Å; T277-D281 PolarHBondContact O-N 3.48Å; E279-D281 PolarHBondContact O-N 3.38Å; D281-Q283 VanDerWaalsContact C-N 3.34Å; D281-Q283 PolarHBondContact O-N 3.41Å; D281-F284 WeakPolarHBondContact O-CB 3.49Å; D281-F284 PolarHBondContact O-N 2.99Å; D281-L285 VanDerWaalsContact O-CG 3.28Å; D281-L285 WeakPolarHBondContact O-CG 3.19Å; D281-L285 PolarHBondContact O-N 2.89Å; D281-I483 HydrophobicContact CB-CD1 3.71Å
282I94.4Very high93.5Very high6 Ų647.9 Ų47.93%0.03124%0.24CC..Hα-helixtrans-64.3-39.6176.2-75.7171000110.9L278 E279 L285 Q286 L521 L522L278-I282 HydrophobicContact CD1-CD1 3.73Å; L278-I282 HydrophobicContact CD1-CG1 4.07Å; L278-I282 HydrophobicContact CG-CD1 3.76Å; L278-I282 HydrophobicContact CG-CG1 4.45Å; L278-I282 VanDerWaalsContact O-CB 3.23Å; L278-I282 WeakPolarHBondContact O-CB 3.33Å; L278-I282 WeakPolarHBondContact O-CG1 3.38Å; L278-I282 PolarHBondContact O-N 3.01Å; E279-I282 PolarHBondContact O-N 2.91Å; I282-L285 PolarHBondContact O-N 2.99Å; I282-Q286 HydrophobicContact CG2-CG 4.39Å; I282-Q286 VanDerWaalsContact CG2-NE2 3.31Å; I282-Q286 VanDerWaalsContact O-CG 3.25Å; I282-Q286 WeakPolarHBondContact O-CG 3.26Å; I282-Q286 PolarHBondContact O-N 2.56Å; I282-L521 HydrophobicContact CD1-CB 4.44Å; I282-L521 HydrophobicContact CD1-CD2 4.39Å; I282-L522 HydrophobicContact CD1-CB 4.02Å
283Q94.7Very high93.4Very high105 Ų10540.4 Ų40.449%0.49121%0.207SC..Hα-helixtrans-60.1-47.5174.5-178.3-178.6-19.400111E279 C280 D281 L285 Q286 E287E279-Q283 WeakPolarHBondContact O-CB 3.36Å; E279-Q283 PolarHBondContact O-N 3.4Å; C280-Q283 PolarHBondContact O-N 3.44Å; D281-Q283 VanDerWaalsContact C-N 3.34Å; D281-Q283 PolarHBondContact O-N 3.41Å; Q283-L285 VanDerWaalsContact C-N 3.31Å; Q283-L285 PolarHBondContact O-N 2.65Å; Q283-Q286 WeakPolarHBondContact O-CB 3.21Å; Q283-Q286 PolarHBondContact O-N 3.32Å; Q283-Q286 VanDerWaalsContact O-N 3.12Å; Q283-E287 HydrophobicContact CG-CG 4.48Å; Q283-E287 WeakPolarHBondContact CG-OE1 3.5Å; Q283-E287 PolarHBondContact NE2-OE1 2.78Å; Q283-E287 WeakPolarHBondContact O-CG 3.28Å; Q283-E287 PolarHBondContact O-N 2.94Å
284F95.3Very high93.3Very high6 Ų634.6 Ų34.63%0.02618%0.182CC..Hα-helixtrans-56.6-43.5175.3168.1-93.9000112.3E120 Y121 Y124 L134 C280 D281 Q286 E287 N288E120-F284 HydrophobicContact CB-CE2 4.05Å; Y121-F284 HydrophobicContact CD2-CE1 4.34Å; Y121-F284 HydrophobicContact CD2-CZ 4.2Å; Y124-F284 HydrophobicContact CD1-CD2 4.35Å; Y124-F284 HydrophobicContact CD1-CG 4.28Å; Y124-F284 HydrophobicContact CD2-CB 3.88Å; Y124-F284 AromaticContact CD2-CD2 3.87Å; Y124-F284 HydrophobicContact CD2-CD2 3.87Å; Y124-F284 HydrophobicContact CD2-CG 4.06Å; Y124-F284 HydrophobicContact CE2-CB 3.82Å; Y124-F284 HydrophobicContact CE2-CG 4.42Å; Y124-F284 HydrophobicContact CG-CB 4.3Å; Y124-F284 AromaticContact CG-CD2 3.72Å; Y124-F284 HydrophobicContact CG-CD2 3.72Å; Y124-F284 HydrophobicContact CG-CE2 4.29Å; Y124-F284 HydrophobicContact CG-CG 4.01Å; L134-F284 HydrophobicContact CD1-CD1 3.6Å; L134-F284 HydrophobicContact CD1-CE1 3.98Å; L134-F284 HydrophobicContact CD1-CG 4.38Å; C280-F284 PolarHBondContact O-N 3.05Å; D281-F284 WeakPolarHBondContact O-CB 3.49Å; D281-F284 PolarHBondContact O-N 2.99Å; F284-Q286 VanDerWaalsContact C-N 3.34Å; F284-Q286 PolarHBondContact O-N 2.83Å; F284-E287 PolarHBondContact O-N 3.29Å; F284-N288 WeakPolarHBondContact CD2-ND2 3.26Å; F284-N288 WeakPolarHBondContact CE2-ND2 3.25Å; F284-N288 WeakPolarHBondContact CZ-ND2 3.47Å; F284-N288 PolarHBondContact O-N 3.07Å; F284-N288 VanDerWaalsContact O-N 3.12Å; F284-N288 PolarHBondContact O-ND2 3.31Å
285L94.6Very high93.2Very high0 Ų034.4 Ų34.40%018%0.181CC..Hα-helixtrans-65.1-36.7177.2-65.9170000112.3L134 D281 I282 Q283 N289 L290 Y293 I483 I486L134-L285 HydrophobicContact CD2-CD1 3.86Å; L134-L285 HydrophobicContact CD2-CD2 3.87Å; L134-L285 HydrophobicContact CD2-CG 3.94Å; D281-L285 VanDerWaalsContact O-CG 3.28Å; D281-L285 WeakPolarHBondContact O-CG 3.19Å; D281-L285 PolarHBondContact O-N 2.89Å; I282-L285 PolarHBondContact O-N 2.99Å; Q283-L285 VanDerWaalsContact C-N 3.31Å; Q283-L285 PolarHBondContact O-N 2.65Å; L285-N289 PolarHBondContact O-N 3.02Å; L285-L290 HydrophobicContact CB-CB 4.4Å; L285-L290 HydrophobicContact CD2-CB 4.13Å; L285-L290 HydrophobicContact CD2-CD1 3.7Å; L285-L290 PolarHBondContact O-N 3.35Å; L285-Y293 HydrophobicContact CB-CD1 4.42Å; L285-Y293 HydrophobicContact CB-CE1 3.74Å; L285-Y293 HydrophobicContact CD1-CD1 3.81Å; L285-Y293 HydrophobicContact CD1-CD2 4.07Å; L285-Y293 HydrophobicContact CD1-CE1 3.67Å; L285-Y293 HydrophobicContact CD1-CE2 3.97Å; L285-Y293 HydrophobicContact CD1-CG 3.99Å; L285-Y293 HydrophobicContact CG-CD1 4.47Å; L285-Y293 HydrophobicContact CG-CE1 4.21Å; L285-I483 HydrophobicContact CD1-CD1 4.05Å; L285-I483 HydrophobicContact CD1-CG2 4.08Å; L285-I486 HydrophobicContact CD1-CG2 4.33Å; L285-I486 HydrophobicContact CD2-CB 3.76Å; L285-I486 HydrophobicContact CD2-CD1 4.24Å; L285-I486 HydrophobicContact CD2-CG2 3.78Å
286Q92.1Very high93.2Very high48 Ų4833.6 Ų33.622%0.22418%0.177CC..Hα-helixtrans-66.6-47.5175.9-72.4173.211.100111.9I282 Q283 F284 N288 N289 E515I282-Q286 HydrophobicContact CG2-CG 4.39Å; I282-Q286 VanDerWaalsContact CG2-NE2 3.31Å; I282-Q286 VanDerWaalsContact O-CG 3.25Å; I282-Q286 WeakPolarHBondContact O-CG 3.26Å; I282-Q286 PolarHBondContact O-N 2.56Å; Q283-Q286 WeakPolarHBondContact O-CB 3.21Å; Q283-Q286 PolarHBondContact O-N 3.32Å; Q283-Q286 VanDerWaalsContact O-N 3.12Å; F284-Q286 VanDerWaalsContact C-N 3.34Å; F284-Q286 PolarHBondContact O-N 2.83Å; Q286-N288 VanDerWaalsContact C-N 3.27Å; Q286-N288 PolarHBondContact O-N 3.47Å; Q286-N289 PolarHBondContact O-N 3.12Å; Q286-E515 PolarHBondContact NE2-O 3.5Å
287E91.9Very high93.1Very high121 Ų12131.1 Ų31.157%0.56516%0.159SC*.Hα-helixtrans-58.1-40.3177.7-71.3173.3-174.200111.3Q283 F284 N289Q283-E287 HydrophobicContact CG-CG 4.48Å; Q283-E287 WeakPolarHBondContact CG-OE1 3.5Å; Q283-E287 PolarHBondContact NE2-OE1 2.78Å; Q283-E287 WeakPolarHBondContact O-CG 3.28Å; Q283-E287 PolarHBondContact O-N 2.94Å; F284-E287 PolarHBondContact O-N 3.29Å; E287-N289 PolarHBondContact O-N 3.28Å; E287-N289 PolarHBondContact O-ND2 3.41Å; E287-N289 VanDerWaalsContact O-ND2 3.13Å
288N91.4Very high92.9Very high23 Ų2329.9 Ų29.912%0.12315%0.151CC..THydrogen-bonded Turntrans-79.82.9176-73.1-87.3000114.4F284 Q286 L290F284-N288 WeakPolarHBondContact CD2-ND2 3.26Å; F284-N288 WeakPolarHBondContact CE2-ND2 3.25Å; F284-N288 WeakPolarHBondContact CZ-ND2 3.47Å; F284-N288 PolarHBondContact O-N 3.07Å; F284-N288 VanDerWaalsContact O-N 3.12Å; F284-N288 PolarHBondContact O-ND2 3.31Å; Q286-N288 VanDerWaalsContact C-N 3.27Å; Q286-N288 PolarHBondContact O-N 3.47Å; N288-L290 VanDerWaalsContact C-N 3.27Å; N288-L290 HydrophobicContact CB-CD1 3.72Å; N288-L290 HydrophobicContact CB-CG 3.79Å; N288-L290 PolarHBondContact O-N 3.13Å
289N90.8Very high92.8Very high71 Ų7130.3 Ų30.338%0.3815%0.154SC..THydrogen-bonded Turntrans57.235.4-178.6-66.2-105.3000113.8L285 Q286 E287 Y490 P514L285-N289 PolarHBondContact O-N 3.02Å; Q286-N289 PolarHBondContact O-N 3.12Å; E287-N289 PolarHBondContact O-N 3.28Å; E287-N289 PolarHBondContact O-ND2 3.41Å; E287-N289 VanDerWaalsContact O-ND2 3.13Å; N289-Y490 WeakPolarHBondContact O-CB 3.27Å; N289-Y490 PolarHBondContact O-N 3.46Å; N289-P514 HydrophobicContact CB-CG 4.49Å
290L91.3Very high92.6Very high0 Ų025.5 Ų25.50%013%0.132CC..BIsolated β-bridgetrans-93.1143.9179.8-56.3172.5000110.2Q113 M117 L285 N288 Y293 I486Q113-L290 HydrophobicContact CG-CD2 4.13Å; M117-L290 HydrophobicContact SD-CD1 3.71Å; M117-L290 HydrophobicContact SD-CD2 4.46Å; L285-L290 HydrophobicContact CB-CB 4.4Å; L285-L290 HydrophobicContact CD2-CB 4.13Å; L285-L290 HydrophobicContact CD2-CD1 3.7Å; L285-L290 PolarHBondContact O-N 3.35Å; N288-L290 VanDerWaalsContact C-N 3.27Å; N288-L290 HydrophobicContact CB-CD1 3.72Å; N288-L290 HydrophobicContact CB-CG 3.79Å; N288-L290 PolarHBondContact O-N 3.13Å; L290-Y293 WeakPolarHBondContact O-CE1 3.49Å; L290-I486 WeakPolarHBondContact CD1-O 3.33Å; L290-I486 WeakPolarHBondContact CD2-O 3.38Å
291I88.6Confident92.4Very high2 Ų223.9 Ų23.91%0.0112%0.119CC..  trans-151.5-17817955.9161.3000111.3Y293 T488 Y490 K494 P514 Y517I291-Y293 PolarHBondContact O-N 2.88Å; I291-Y293 VanDerWaalsContact O-N 3.16Å; I291-T488 PolarHBondContact N-O 2.84Å; I291-T488 WeakPolarHBondContact O-CB 3.42Å; I291-Y490 HydrophobicContact CD1-CD2 3.59Å; I291-Y490 HydrophobicContact CD1-CE2 4.33Å; I291-Y490 HydrophobicContact CD1-CG 4.43Å; I291-Y490 HydrophobicContact CG1-CD2 4.44Å; I291-K494 HydrophobicContact CD1-CD 3.58Å; I291-K494 HydrophobicContact CG1-CD 4.27Å; I291-P514 HydrophobicContact CG2-CB 3.87Å; I291-P514 HydrophobicContact CG2-CG 3.91Å; I291-Y517 HydrophobicContact CB-CD1 3.99Å; I291-Y517 HydrophobicContact CB-CE1 4.42Å; I291-Y517 HydrophobicContact CB-CG 4.28Å; I291-Y517 HydrophobicContact CG2-CD1 4.01Å; I291-Y517 HydrophobicContact CG2-CG 4.1Å
292D85.1Confident91.9Very high63 Ų6325.6 Ų25.634%0.33713%0.13SC..SBendtrans60.711.1-175.7-66.428.1000115K172 K494 Y517K172-D292 WeakPolarHBondContact CE-O 3.47Å; K172-D292 PolarHBondContact NZ-O 2.95Å; D292-K494 IonicContact OD1-NZ 3.33Å; D292-K494 PolarHBondContact OD1-NZ 3.43Å; D292-K494 IonicContact OD2-NZ 2.79Å; D292-K494 PolarHBondContact OD2-NZ 2.88Å; D292-Y517 WeakPolarHBondContact CA-OH 3.3Å; D292-Y517 VanDerWaalsContact N-CE1 3.31Å
293Y92.2Very high91.6Very high0 Ų030.4 Ų30.40%015%0.152CC..PPolyproline II helixtrans-66.7146.4169.648.5-101.4000111.7L285 L290 I291 I483 I484 Y517 G518 L521L285-Y293 HydrophobicContact CB-CD1 4.42Å; L285-Y293 HydrophobicContact CB-CE1 3.74Å; L285-Y293 HydrophobicContact CD1-CD1 3.81Å; L285-Y293 HydrophobicContact CD1-CD2 4.07Å; L285-Y293 HydrophobicContact CD1-CE1 3.67Å; L285-Y293 HydrophobicContact CD1-CE2 3.97Å; L285-Y293 HydrophobicContact CD1-CG 3.99Å; L285-Y293 HydrophobicContact CG-CD1 4.47Å; L285-Y293 HydrophobicContact CG-CE1 4.21Å; L290-Y293 WeakPolarHBondContact O-CE1 3.49Å; I291-Y293 PolarHBondContact O-N 2.88Å; I291-Y293 VanDerWaalsContact O-N 3.16Å; Y293-I483 HydrophobicContact CD2-CG2 4.07Å; Y293-I483 HydrophobicContact CG-CG2 4.2Å; Y293-I484 WeakPolarHBondContact CA-O 3.39Å; Y293-I484 VanDerWaalsContact CB-O 3.28Å; Y293-I484 WeakPolarHBondContact CB-O 3.4Å; Y293-Y517 HydrophobicContact CD1-CD1 4.38Å; Y293-Y517 HydrophobicContact CD1-CE1 4.06Å; Y293-Y517 HydrophobicContact CD2-CD1 4.49Å; Y293-Y517 AromaticContact CD2-CE1 3.84Å; Y293-Y517 HydrophobicContact CD2-CE1 3.84Å; Y293-Y517 AromaticContact CE1-CD1 3.83Å; Y293-Y517 HydrophobicContact CE1-CD1 3.83Å; Y293-Y517 AromaticContact CE1-CE1 3.95Å; Y293-Y517 HydrophobicContact CE1-CE1 3.95Å; Y293-Y517 AromaticContact CE2-CD1 3.93Å; Y293-Y517 HydrophobicContact CE2-CD1 3.93Å; Y293-Y517 AromaticContact CE2-CE1 3.7Å; Y293-Y517 HydrophobicContact CE2-CE1 3.7Å; Y293-Y517 HydrophobicContact CG-CE1 4.02Å; Y293-Y517 AromaticContact CZ-CD1 3.58Å; Y293-Y517 AromaticContact CZ-CE1 3.78Å; Y293-Y517 PolarHBondContact O-OH 2.8Å; Y293-G518 WeakPolarHBondContact OH-CA 3.19Å; Y293-L521 HydrophobicContact CD2-CD2 3.88Å; Y293-L521 HydrophobicContact CE2-CD2 3.71Å
294S91.2Very high91.2Very high0 Ų029.5 Ų29.50%015%0.15CC..EExtended strand (participates in β ladder)trans-102.3159.4171-36.50000111.6D170 L171 K172 I483 I484D170-S294 WeakPolarHBondContact OD1-CB 3.36Å; D170-S294 PolarHBondContact OD1-OG 2.74Å; L171-S294 CarbonylContact O-C 3.52Å; L171-S294 VanDerWaalsContact O-CA 3.25Å; L171-S294 WeakPolarHBondContact O-CA 3.35Å; L171-S294 WeakPolarHBondContact O-CB 3.38Å; K172-S294 WeakPolarHBondContact CE-OG 3.37Å; K172-S294 WeakPolarHBondContact CG-OG 3.48Å; S294-I483 CarbonylContact O-C 3.49Å; S294-I483 VanDerWaalsContact O-CA 3.26Å; S294-I483 WeakPolarHBondContact O-CA 3.34Å; S294-I484 PolarHBondContact N-O 2.86Å; S294-I484 PolarHBondContact O-N 3.49Å
295L93.3Very high90.8Very high2 Ų230 Ų301%0.0116%0.155CC..EExtended strand (participates in β ladder)trans-88.8117.9148.8-161.374.3000109.1L171 L278 I297 V481 I483 L521 V525L171-L295 HydrophobicContact CB-CB 4.43Å; L171-L295 WeakPolarHBondContact CB-O 3.29Å; L171-L295 PolarHBondContact N-O 3.24Å; L171-L295 PolarHBondContact O-N 3.36Å; L278-L295 HydrophobicContact CD1-CD1 4.31Å; L295-I297 HydrophobicContact CD2-CD1 4.14Å; L295-I297 HydrophobicContact CD2-CG1 4.22Å; L295-I297 HydrophobicContact CG-CG1 4.36Å; L295-V481 HydrophobicContact CD1-CG1 3.76Å; L295-V481 HydrophobicContact CD2-CG1 3.81Å; L295-V481 HydrophobicContact CG-CG1 3.9Å; L295-I483 HydrophobicContact CD1-CG1 3.97Å; L295-L521 HydrophobicContact CB-CD1 4.26Å; L295-V525 HydrophobicContact CD2-CG1 4.24Å; L295-V525 HydrophobicContact CD2-CG2 3.54Å
296L94.1Very high90.4Very high5 Ų534.7 Ų34.73%0.02618%0.18CC..EExtended strand (participates in β ladder)trans-87.3125.8169.9-178.963.9000108.6V158 F159 K168 Y169 V481 A482 I484V158-L296 HydrophobicContact CB-CD2 4.12Å; V158-L296 HydrophobicContact CG1-CD2 4.07Å; V158-L296 HydrophobicContact CG2-CD2 4.23Å; F159-L296 HydrophobicContact CE1-CD2 4.09Å; F159-L296 HydrophobicContact CE1-CG 4.12Å; F159-L296 HydrophobicContact CE2-CD2 4.43Å; F159-L296 HydrophobicContact CZ-CD1 4.02Å; F159-L296 HydrophobicContact CZ-CD2 3.74Å; F159-L296 HydrophobicContact CZ-CG 3.87Å; K168-L296 HydrophobicContact CG-CD1 4.11Å; Y169-L296 WeakPolarHBondContact O-CA 3.21Å; L296-V481 WeakPolarHBondContact O-CA 3.42Å; L296-A482 PolarHBondContact N-O 3.22Å; L296-A482 PolarHBondContact O-N 3.49Å; L296-I484 HydrophobicContact CB-CD1 3.98Å; L296-I484 HydrophobicContact CB-CG1 4.1Å; L296-I484 HydrophobicContact CB-CG2 3.86Å; L296-I484 HydrophobicContact CD2-CD1 4.49Å; L296-I484 HydrophobicContact CD2-CG2 4.03Å
297I92.9Very high90.1Very high3 Ų334.7 Ų34.72%0.01519%0.188CC..EExtended strand (participates in β ladder)trans-119.4120.3174.2-53.9-173.1000109.3K168 Y169 L171 M264 L295 V299 F480K168-I297 CarbonylContact C-O 3.56Å; K168-I297 VanDerWaalsContact CA-O 3.32Å; K168-I297 WeakPolarHBondContact CA-O 3.28Å; Y169-I297 PolarHBondContact N-O 3.32Å; Y169-I297 PolarHBondContact O-N 3.3Å; L171-I297 HydrophobicContact CD1-CD1 3.48Å; L171-I297 VanDerWaalsContact CD1-CD1 3.48Å; L171-I297 HydrophobicContact CD1-CG1 4.02Å; M264-I297 HydrophobicContact CE-CD1 4.24Å; M264-I297 HydrophobicContact CE-CG2 4.19Å; M264-I297 HydrophobicContact SD-CD1 3.7Å; L295-I297 HydrophobicContact CD2-CD1 4.14Å; L295-I297 HydrophobicContact CD2-CG1 4.22Å; L295-I297 HydrophobicContact CG-CG1 4.36Å; I297-V299 HydrophobicContact CG2-CG2 4.45Å; I297-F480 CarbonylContact C-O 3.42Å; I297-F480 VanDerWaalsContact CA-O 3.28Å; I297-F480 WeakPolarHBondContact CA-O 3.43Å
298G93.1Very high89.6Confident0 Ų031.4 Ų31.40%018%0.178CC..EExtended strand (participates in β ladder)trans-100.4143.4164.100000110.3K167 Y479 F480K167-G298 CarbonylContact O-C 3.56Å; K167-G298 WeakPolarHBondContact O-CA 3.43Å; G298-Y479 CarbonylContact O-C 3.6Å; G298-Y479 WeakPolarHBondContact O-CA 3.43Å; G298-F480 PolarHBondContact N-O 3.43Å; G298-F480 PolarHBondContact O-N 3.04Å
299V92.5Very high88.9Confident10 Ų1033.8 Ų33.86%0.06120%0.196CC..EExtended strand (participates in β ladder)trans-119.8118.6172.3-168.30000108.4H166 K167 Y169 I297 L477 Y479H166-V299 PolarHBondContact N-O 2.98Å; K167-V299 HydrophobicContact CB-CB 4.07Å; K167-V299 HydrophobicContact CB-CG2 4.11Å; K167-V299 PolarHBondContact N-O 2.82Å; K167-V299 PolarHBondContact O-N 3.15Å; Y169-V299 HydrophobicContact CE2-CG2 4.35Å; I297-V299 HydrophobicContact CG2-CG2 4.45Å; V299-L477 HydrophobicContact CG1-CB 4.43Å; V299-L477 HydrophobicContact CG1-CD1 4.16Å; V299-L477 HydrophobicContact CG1-CD2 4.22Å; V299-Y479 HydrophobicContact CG1-CD1 4.27Å; V299-Y479 HydrophobicContact CG1-CE1 4.19Å; V299-Y479 HydrophobicContact CG2-CD1 4.18Å; V299-Y479 HydrophobicContact CG2-CE1 4.44Å
300H92.2Very high88.4Confident6 Ų636.1 Ų36.13%0.02821%0.208CC..EExtended strand (participates in β ladder)trans-95.7142.8164.1170.579.7000109.2L163 A164 H166 I478 F480L163-H300 HydrophobicContact CB-CB 4.39Å; A164-H300 WeakPolarHBondContact O-CB 3.32Å; A164-H300 PolarHBondContact O-ND1 3.19Å; H166-H300 AromaticContact CE1-ND1 3.8Å; H300-I478 HydrophobicContact CB-CB 4.17Å; H300-I478 PolarHBondContact N-O 2.88Å; H300-I478 PolarHBondContact O-N 2.98Å; H300-F480 HydrophobicContact CB-CE2 4.18Å
301D90.8Very high87.7Confident31 Ų3143.3 Ų43.317%0.16624%0.242CC..  trans-128104.7-177.7-174.1-41.2000106.9H166 E303 I304 A305 L477H166-D301 PolarHBondContact CE1-O 2.82Å; H166-D301 VanDerWaalsContact ND1-CB 3.32Å; H166-D301 WeakPolarHBondContact ND1-CB 3.34Å; H166-D301 PolarHBondContact ND1-N 3.16Å; H166-D301 PolarHBondContact ND1-O 2.86Å; D301-E303 PolarHBondContact O-N 2.98Å; D301-E303 WeakPolarHBondContact OD1-CB 3.4Å; D301-E303 PolarHBondContact OD1-N 2.93Å; D301-E303 VanDerWaalsContact OD1-N 3.07Å; D301-I304 HydrophobicContact CB-CB 4.17Å; D301-I304 HydrophobicContact CB-CD1 3.96Å; D301-I304 HydrophobicContact CB-CG1 4.12Å; D301-I304 PolarHBondContact O-N 2.79Å; D301-I304 PolarHBondContact OD1-N 3.35Å; D301-I304 WeakPolarHBondContact OD2-CD1 3.22Å; D301-A305 PolarHBondContact O-N 3.15Å; D301-L477 HydrophobicContact CB-CD2 3.79Å
302P88.1Confident86.6Confident36 Ų3648 Ų4823%0.23427%0.267CS..Hα-helixtrans-62.1-28.5-176.7-23.234.5000113.6L306 P476P302-L306 VanDerWaalsContact O-CB 3.29Å; P302-L306 WeakPolarHBondContact O-CB 3.06Å; P302-L306 PolarHBondContact O-N 2.98Å; P302-P476 WeakPolarHBondContact CD-O 3.34Å
303E86.8Confident85.5Confident107 Ų10748.3 Ų48.350%0.528%0.278SS..Hα-helixtrans-71-45.4-179.6-62-179.3-176.100110.3D301 L306 A307D301-E303 PolarHBondContact O-N 2.98Å; D301-E303 WeakPolarHBondContact OD1-CB 3.4Å; D301-E303 PolarHBondContact OD1-N 2.93Å; D301-E303 VanDerWaalsContact OD1-N 3.07Å; E303-L306 PolarHBondContact O-N 2.69Å; E303-A307 PolarHBondContact O-N 2.94Å
304I87.5Confident83.7Confident86 Ų8651.4 Ų51.444%0.44131%0.31SS..Hα-helixtrans-63.8-43.8174.8-61.9177000110.9D301 L306 A307 S308D301-I304 HydrophobicContact CB-CB 4.17Å; D301-I304 HydrophobicContact CB-CD1 3.96Å; D301-I304 HydrophobicContact CB-CG1 4.12Å; D301-I304 PolarHBondContact O-N 2.79Å; D301-I304 PolarHBondContact OD1-N 3.35Å; D301-I304 WeakPolarHBondContact OD2-CD1 3.22Å; I304-L306 PolarHBondContact O-N 3.02Å; I304-A307 PolarHBondContact O-N 3.45Å; I304-S308 PolarHBondContact O-N 3.15Å; I304-S308 PolarHBondContact O-OG 2.92Å
305A86.4Confident82Confident17 Ų1758.2 Ų58.214%0.1435%0.346CS..Hα-helixtrans-63.3-41.1179.100000112.3D301 S308 S309D301-A305 PolarHBondContact O-N 3.15Å; A305-S308 PolarHBondContact O-N 3.33Å; A305-S308 PolarHBondContact O-OG 3.35Å; A305-S309 PolarHBondContact O-N 2.78Å; A305-S309 VanDerWaalsContact O-N 3.09Å; A305-S309 PolarHBondContact O-OG 3.24Å
306L85.6Confident80.1Confident98 Ų9863.6 Ų63.651%0.51338%0.375SS..Hα-helixtrans-65.2-41176.1-178.361000111.8P302 E303 I304 S309 L310P302-L306 VanDerWaalsContact O-CB 3.29Å; P302-L306 WeakPolarHBondContact O-CB 3.06Å; P302-L306 PolarHBondContact O-N 2.98Å; E303-L306 PolarHBondContact O-N 2.69Å; I304-L306 PolarHBondContact O-N 3.02Å; L306-S309 PolarHBondContact O-N 3.23Å; L306-L310 HydrophobicContact CG-CD1 4.35Å; L306-L310 WeakPolarHBondContact O-CG 3.47Å; L306-L310 PolarHBondContact O-N 3.49Å
307A86.2Confident77.7Confident48 Ų4866.2 Ų66.240%0.39740%0.403SS..Hα-helixtrans-59.6-50175.700000111.7E303 I304 S309 L310 E311E303-A307 PolarHBondContact O-N 2.94Å; I304-A307 PolarHBondContact O-N 3.45Å; A307-S309 VanDerWaalsContact C-N 3.3Å; A307-S309 PolarHBondContact O-N 3.26Å; A307-L310 PolarHBondContact O-N 2.94Å; A307-L310 VanDerWaalsContact O-N 3.1Å; A307-E311 PolarHBondContact O-N 3.49Å
308S81.7Confident75.2Confident52 Ų5275.3 Ų75.336%0.36445%0.446SS..Hα-helixtrans-60.3-38.117862.20000113.1I304 A305 L310 E311 D312I304-S308 PolarHBondContact O-N 3.15Å; I304-S308 PolarHBondContact O-OG 2.92Å; A305-S308 PolarHBondContact O-N 3.33Å; A305-S308 PolarHBondContact O-OG 3.35Å; S308-L310 PolarHBondContact O-N 3.36Å; S308-E311 PolarHBondContact O-N 3.19Å; S308-D312 PolarHBondContact O-N 3.11Å
309S77Confident72.6Confident72 Ų7278.8 Ų78.850%0.50348%0.481SS..Hα-helixtrans-67.9-22.4178.3-58.70000113.7A305 L306 A307A305-S309 PolarHBondContact O-N 2.78Å; A305-S309 VanDerWaalsContact O-N 3.09Å; A305-S309 PolarHBondContact O-OG 3.24Å; L306-S309 PolarHBondContact O-N 3.23Å; A307-S309 VanDerWaalsContact C-N 3.3Å; A307-S309 PolarHBondContact O-N 3.26Å
310L79.1Confident70.2Confident120 Ų12085.3 Ų85.363%0.62852%0.521SS*.Hα-helixtrans-85.4-28.7175.9-71167.5000112.3L306 A307 S308L306-L310 HydrophobicContact CG-CD1 4.35Å; L306-L310 WeakPolarHBondContact O-CG 3.47Å; L306-L310 PolarHBondContact O-N 3.49Å; A307-L310 PolarHBondContact O-N 2.94Å; A307-L310 VanDerWaalsContact O-N 3.1Å; S308-L310 PolarHBondContact O-N 3.36Å
311E76.6Confident67.5Low152 Ų15288.6 Ų88.671%0.7156%0.557SS**Hα-helixtrans-71.5-45.9175.9-69.1178.7177.200111A307 S308 A313 G314A307-E311 PolarHBondContact O-N 3.49Å; S308-E311 PolarHBondContact O-N 3.19Å; E311-A313 VanDerWaalsContact C-N 3.3Å; E311-A313 PolarHBondContact O-N 3.3Å; E311-G314 PolarHBondContact O-N 3.35Å; E311-G314 VanDerWaalsContact O-N 3.11Å
312D65.9Low64.9Low101 Ų10191.3 Ų91.354%0.5459%0.592SS.*Hα-helixtrans-62.3-33.9178.2-75-21.1000113.2S308 G314 F352S308-D312 PolarHBondContact O-N 3.11Å; D312-G314 PolarHBondContact O-N 3.19Å; D312-F352 HydrophobicContact CB-CZ 4.42Å
313A61.6Low62.4Low69 Ų6994.5 Ų94.557%0.5762%0.621SS**THydrogen-bonded Turntrans-74.5-7.5178.700000113.9E311E311-A313 VanDerWaalsContact C-N 3.3Å; E311-A313 PolarHBondContact O-N 3.3Å
314G54.7Low59.9Low64 Ų64101.1 Ų101.166%0.6664%0.642SS**THydrogen-bonded Turntrans-85.4-19.4-174.500000115.8E311 D312 D316E311-G314 PolarHBondContact O-N 3.35Å; E311-G314 VanDerWaalsContact O-N 3.11Å; D312-G314 PolarHBondContact O-N 3.19Å; G314-D316 VanDerWaalsContact C-N 3.33Å
315D55.7Low57.7Low143 Ų143104.2 Ų104.277%0.76567%0.665SS**  trans-89.21.6-173.2-157.939.1000113.5G317D315-G317 VanDerWaalsContact C-N 3.28Å; D315-G317 PolarHBondContact O-N 3.18Å
316D54.5Low55.3Low116 Ų116107.1 Ų107.162%0.6270%0.696SS**SBendtrans-84.854.2-174.1-81.9-11.5000114.5G314 R350G314-D316 VanDerWaalsContact C-N 3.33Å; D316-R350 IonicContact OD1-CZ 3.14Å; D316-R350 IonicContact OD1-NH1 2.59Å; D316-R350 PolarHBondContact OD1-NH1 2.9Å
317G43.3Very low52.9Low59 Ų59105.6 Ų105.661%0.60870%0.704SS**  trans117.982.3145.700000118.7D315 G319D315-G317 VanDerWaalsContact C-N 3.28Å; D315-G317 PolarHBondContact O-N 3.18Å; G317-G319 VanDerWaalsContact C-N 3.3Å; G317-G319 PolarHBondContact O-N 3.27Å
318E39.7Very low50.4Low195 Ų195109.2 Ų109.291%0.91173%0.725SS**  trans-91.667.2148.2-154.5173.6-166.300110.5T320E318-T320 PolarHBondContact O-N 3.26Å; E318-T320 VanDerWaalsContact O-N 3.17Å
319G39.7Very low48.3Very low72 Ų72113.7 Ų113.774%0.74275%0.75SS**  trans-67.9107.3170.900000110.3G317 G321G317-G319 VanDerWaalsContact C-N 3.3Å; G317-G319 PolarHBondContact O-N 3.27Å; G319-G321 PolarHBondContact O-N 3.26Å
320T40.5Very low46.4Very low148 Ų148114.1 Ų114.191%0.90877%0.765SS**  trans-57.393-174.139.90000113.8E318E318-T320 PolarHBondContact O-N 3.26Å; E318-T320 VanDerWaalsContact O-N 3.17Å
321G36.2Very low44.7Very low75 Ų75113.6 Ų113.677%0.77378%0.778SS**  trans-12585.9177.800000111.9G319G319-G321 PolarHBondContact O-N 3.26Å
322G35.4Very low42.7Very low87 Ų87109.6 Ų109.690%0.89778%0.778SS**  trans-79.8135.7-175.100000114.7
323A36.7Very low41.6Very low104 Ų104112.3 Ų112.386%0.8680%0.798SS**  trans-136.7136.3157.800000109.8
324R34.5Very low40.5Very low245 Ų245112.8 Ų112.893%0.92581%0.809SS**  trans-98.8156.8-161.7-61.4168.2171.5171.5-5.3113.2
325V40Very low39.7Very low152 Ų152113.5 Ų113.592%0.92182%0.817SS**  trans-124.1141.2151.1-177.60000108.3
326G35.9Very low38.8Very low77 Ų77111 Ų11179%0.79483%0.825SS**  trans-62.5175.7-156.600000119.5
327G35Very low38Very low67 Ų67109.6 Ų109.669%0.69184%0.838SS**  cis178.4-177.42.900000114.5
328C34.9Very low37.6Very low124 Ų124110.8 Ų110.884%0.83885%0.85SS**  trans45128.3153.2-39.70000119
329V38.1Very low37.5Very low145 Ų145105 Ų10588%0.87984%0.843SS**  cis-164.4146.837.9-87.40000113.7
330G37.1Very low37.5Very low81 Ų81107.1 Ų107.184%0.83585%0.846SS**  trans75.2150.715400000119.6
331A41.8Very low37.5Very low109 Ų109108.2 Ų108.290%0.90185%0.847SS**  cis-165.8154.4-16.100000110.9
332G36.2Very low37.7Very low68 Ų68110.2 Ų110.270%0.70185%0.849SS**  trans93.8100.217100000116
333V42.1Very low37.6Very low159 Ų159109 Ų10996%0.96484%0.837SS**  62.9120.878.3-178.10000112.9
334G37.8Very low37.5Very low78 Ų78111.2 Ų111.280%0.80484%0.839SS**  cis-179.9177.5-2.300000108.1
335G38.5Very low37.4Very low80 Ų80107.6 Ų107.683%0.82584%0.837SS**  cis177.9163.9-4.600000111.8
336G37.3Very low37Very low90 Ų90106.7 Ų106.793%0.92882%0.823SS**  trans83.7138174.900000116.4
337G36.7Very low37Very low87 Ų87108.6 Ų108.690%0.89782%0.822SS**  cis146.8148.4-3.700000111.3
338G36.6Very low36.9Very low83 Ų83113 Ų11386%0.85683%0.829SS**  cis171.1153.2-600000112.5
339G37Very low36.9Very low75 Ų75113 Ų11377%0.77383%0.831SS**  trans106.1119.4179.400000113.8
340S38.6Very low36.5Very low115 Ų115114.8 Ų114.880%0.80482%0.821SS**  cis100.3104.733.7-66.90000113.9
341N40.6Very low36.2Very low171 Ų171113.8 Ų113.891%0.91481%0.811SS**  -172.3151.6123.8-96.4-11.9000114.7
342S41.4Very low35.6Very low117 Ų117115.6 Ų115.682%0.81880%0.799SS**  trans-61.8159.4-179.8-160.10000113.7
343G32.7Very low35.4Very low63 Ų63117.3 Ų117.365%0.64979%0.792SS**  cis127.7106.40.800000112.3
344V34.3Very low35.1Very low150 Ų150116.5 Ų116.591%0.90978%0.782SS**  trans-148.6142166.61790000108.3
345L32.8Very low34.6Very low168 Ų168121.1 Ų121.188%0.8878%0.776SS**  trans-100.8147.9-177.2-69.5160.1000112.1
346E31.8Very low34.2Very low133 Ų133125.9 Ų125.962%0.62178%0.779SS**  trans-141150.8157.4-92.3-164-177.500110.7R379E346-R379 IonicContact OE1-CZ 2.78Å; E346-R379 IonicContact OE1-NH2 2.82Å; E346-R379 PolarHBondContact OE1-NH2 3.01Å; E346-R379 IonicContact OE2-CZ 3.73Å; E346-R379 IonicContact OE2-NH1 2.97Å; E346-R379 PolarHBondContact OE2-NH1 3.33Å; E346-R379 IonicContact OE2-NH2 3.98Å; E346-R379 PolarHBondContact OE2-NH2 3.4Å
347P36.2Very low33.6Very low118 Ų118127.6 Ų127.677%0.76677%0.771SS**  trans-86.1141.2-177.234.2-33.8000113.1
348N33.1Very low33.2Very low159 Ų159129.4 Ų129.485%0.8577%0.77SS**  trans-80.7121.2170.3-88.2-21.4000110.9R350N348-R350 PolarHBondContact O-N 3.11Å
349S33.8Very low32.7Very low124 Ų124130.9 Ų130.987%0.86777%0.767SS**  trans-73.7112.1160.7-570000109.4
350R30.6Very low32.2Very low182 Ų182130.3 Ų130.369%0.68776%0.761SS**  trans-73.8123.2171.1-68.4176.2169.8167.6-6.2108.7D316 N348D316-R350 IonicContact OD1-CZ 3.14Å; D316-R350 IonicContact OD1-NH1 2.59Å; D316-R350 PolarHBondContact OD1-NH1 2.9Å; N348-R350 PolarHBondContact O-N 3.11Å
351G30.4Very low31.6Very low60 Ų60132.8 Ų132.862%0.61977%0.765SS**  trans-96.9140.5167.300000109.8D353G351-D353 PolarHBondContact O-N 3.44Å
352F29.2Very low31Very low148 Ų148128 Ų12865%0.64976%0.756SS**  trans-72.7106.2-174.5-140.5-94.1000111.3D312D312-F352 HydrophobicContact CB-CZ 4.42Å
353D33.1Very low30.2Very low103 Ų103131.4 Ų131.455%0.55176%0.764SS**  trans-10573.8-173.1-152.37000109.7G351 R355G351-D353 PolarHBondContact O-N 3.44Å; D353-R355 PolarHBondContact O-N 3.41Å; D353-R355 IonicContact OD1-CZ 2.69Å; D353-R355 IonicContact OD1-NH1 2.79Å; D353-R355 IonicContact OD1-NH2 3.01Å; D353-R355 IonicContact OD2-CZ 3.03Å; D353-R355 IonicContact OD2-NH1 2.7Å; D353-R355 PolarHBondContact OD2-NH1 2.93Å; D353-R355 IonicContact OD2-NH2 2.76Å; D353-R355 PolarHBondContact OD2-NH2 2.99Å
354D33.8Very low30Very low142 Ų142132.3 Ų132.376%0.75977%0.773SS**  trans-79.184.8179-166.4-1.1000111.3
355R28.9Very low29.5Very low176 Ų176130.5 Ų130.566%0.66477%0.767SS**  trans-88.4116172.3-72.4-170.3179.781.120.8110.8D353D353-R355 PolarHBondContact O-N 3.41Å; D353-R355 IonicContact OD1-CZ 2.69Å; D353-R355 IonicContact OD1-NH1 2.79Å; D353-R355 IonicContact OD1-NH2 3.01Å; D353-R355 IonicContact OD2-CZ 3.03Å; D353-R355 IonicContact OD2-NH1 2.7Å; D353-R355 PolarHBondContact OD2-NH1 2.93Å; D353-R355 IonicContact OD2-NH2 2.76Å; D353-R355 PolarHBondContact OD2-NH2 2.99Å
356M28.7Very low29.3Very low180 Ų180130.5 Ų130.589%0.88777%0.767SS**  trans-126.1113.1145.5-80.4-147.3170.400112.9
357V26.4Very low29Very low126 Ų126128.4 Ų128.476%0.76477%0.768SS**  trans-99.7137.4173.91760000108.5
358S27.4Very low28.7Very low125 Ų125128.4 Ų128.487%0.87477%0.77SS**  trans-153.8146.3154-159.90000112.4
359S25.9Very low28.3Very low113 Ų113127 Ų12779%0.7976%0.759SS**  trans-102.8168.2-158.8-53.70000113.8
360G26.5Very low28Very low63 Ų63133.4 Ų133.465%0.64976%0.764SS**  trans161.376.9165.500000117.3
361D26.9Very low28Very low167 Ų167132.4 Ų132.489%0.89377%0.767SS**  trans34.9139.9145.3-50.6-25.6000123.1
362G26.4Very low27.7Very low71 Ų71135.4 Ų135.473%0.73278%0.777SS**  trans146.973.5146.400000119.5
363L25.7Very low27.7Very low188 Ų188131.9 Ų131.998%0.98478%0.783SS**  trans61.7106.9152.1-56.6175.3000119.5
364G27.2Very low27.3Very low82 Ų82138.1 Ų138.185%0.84580%0.798SS**  trans-175.383.6166.900000113.3
365S25.4Very low27.1Very low112 Ų112139.7 Ų139.778%0.78381%0.806SS**  trans-77.6144.6165.2-149.20000108.3
366L27.8Very low27.1Very low168 Ų168136.7 Ų136.788%0.8881%0.812SS**  cis-139.1157.132.5-87.4159000113.8
367S25.3Very low26.9Very low90 Ų90136.8 Ų136.863%0.62981%0.812SS**  trans-65.7152-176.2-178.50000116.9Q369S367-Q369 PolarHBondContact OG-N 3.27Å; S367-Q369 VanDerWaalsContact OG-N 3.09Å
368S29.6Very low27.1Very low117 Ų117135.6 Ų135.682%0.81882%0.816SS**  trans-146.168.3137-75.40000111.8
369Q26.1Very low27.1Very low131 Ų131137.8 Ų137.861%0.61281%0.805SS**  trans21.6109.9142.5-167.1171.67.400119S367 Q371S367-Q369 PolarHBondContact OG-N 3.27Å; S367-Q369 VanDerWaalsContact OG-N 3.09Å; Q369-Q371 HydrophobicContact CG-CG 4.38Å
370W27Very low27.3Very low257 Ų257138.6 Ų138.697%0.97381%0.811SS**  trans-120.6119.1144.2-76.789.8000108.4
371Q29.4Very low27.5Very low162 Ų162140.3 Ų140.376%0.75781%0.813SS**  trans-95.4152.9-180-95.7175.7-17.800112Q369Q369-Q371 HydrophobicContact CG-CG 4.38Å
372C24.9Very low27.8Very low122 Ų122140.2 Ų140.282%0.82481%0.811SS**  trans-69.7140-172.6-1760000113.3
373G28.9Very low28Very low74 Ų74142.1 Ų142.176%0.76381%0.808SS**  trans-119.6102.2164.500000111
374R24.4Very low28.3Very low234 Ų234141.5 Ų141.588%0.88381%0.805SS**  trans-69.9136.5165.3-76-180174.8-171.4-1.9109.3
375L29.8Very low28.4Very low176 Ų176140.5 Ų140.592%0.92179%0.794SS**  trans-131.2130.4153.4-77.8175.4000110.3
376S29.2Very low28.8Very low113 Ų113143.5 Ų143.579%0.7980%0.801SS**  trans-84.9141.3-179.449.50000111.3
377M25.1Very low29Very low181 Ų181140.2 Ų140.289%0.89279%0.792SS**  trans-62.3138166.5-77.1-165.7-99.900111.5
378A30.6Very low29.3Very low102 Ų102141.7 Ų141.784%0.84380%0.802SS**  trans-130.2121.2154.500000107.8
379R27.1Very low29.6Very low170 Ų170141 Ų14164%0.64280%0.797SS**  trans-93144.4-179-61.8172.365.5-177.10.1110.2E346E346-R379 IonicContact OE1-CZ 2.78Å; E346-R379 IonicContact OE1-NH2 2.82Å; E346-R379 PolarHBondContact OE1-NH2 3.01Å; E346-R379 IonicContact OE2-CZ 3.73Å; E346-R379 IonicContact OE2-NH1 2.97Å; E346-R379 PolarHBondContact OE2-NH1 3.33Å; E346-R379 IonicContact OE2-NH2 3.98Å; E346-R379 PolarHBondContact OE2-NH2 3.4Å
380S31.2Very low29.9Very low131 Ų131139.2 Ų139.292%0.91681%0.805SS**  trans-158.7130.4144.6-82.20000110.4
381S30.3Very low30.1Very low98 Ų98131.1 Ų131.169%0.68579%0.793SS**  trans-103149.5-180460000111
382I32Very low30.3Very low166 Ų166128 Ų12885%0.85180%0.795SS**  trans179.2123.6145.1-91.7147.8000105
383V30.9Very low30.5Very low111 Ų111131.4 Ų131.467%0.67380%0.798SS**  cis112.8116.921.4167.30000110.9
384L31.7Very low30.6Very low175 Ų175132.5 Ų132.592%0.91680%0.8SS**  trans70.1141.6177.3-52.6171.1000117
385G29.5Very low31Very low61 Ų61126 Ų12663%0.62980%0.796SS**  cis158.1160.6-7.400000112.8
386L33.3Very low31.1Very low175 Ų175122.5 Ų122.592%0.91679%0.787SS**  trans68.3146169.5-50.3175000115.7
387S32.7Very low31.2Very low99 Ų99123.5 Ų123.569%0.69279%0.792SS**  cis-176.3151.4-11.649.10000109.4
388S32.8Very low31.6Very low120 Ų120118.1 Ų118.184%0.83978%0.783SS**  trans46.5146.8149.6-109.60000120.8
389S35Very low32.1Very low103 Ų103120.6 Ų120.672%0.7279%0.788SS**  cis-166.2169.39.8-167.40000109.1
390A33.2Very low32.4Very low93 Ų93116 Ų11677%0.76979%0.793SS**  trans15.3160.5147.300000122.5
391A31.2Very low32.5Very low88 Ų88113.7 Ų113.773%0.72779%0.79SS**  cis176.6163-20.200000106.8
392A32.7Very low32.6Very low97 Ų97116.1 Ų116.180%0.80280%0.801SS**  trans65.6158.9167.700000116.1
393E30Very low32.6Very low192 Ų192112 Ų11290%0.89780%0.799SS**  cis-154.8-178.2-20.4-122-168150.800110.7
394A29.4Very low32.7Very low97 Ų97113.5 Ų113.580%0.80281%0.808SS**  trans-54.2150-173.800000119.2
395A34.4Very low32.7Very low97 Ų97108.8 Ų108.880%0.80280%0.802SS**  trans158.4154.713900000109.5
396S32.2Very low32.7Very low103 Ų103116.3 Ų116.372%0.7282%0.818SS**  cis-179.8158.8-25.965.80000105.5
397C29.6Very low32.6Very low134 Ų134111.6 Ų111.691%0.90581%0.812SS**  trans61.3126.2160.5-65.70000121.4
398G35.1Very low32.5Very low68 Ų68113.8 Ų113.870%0.70182%0.821SS**  trans157.896.1145.100000116.8
399V39.7Very low32.2Very low154 Ų154111.3 Ų111.393%0.93381%0.814SS**  trans48.1130.2144.9-162.10000118.1
400G33.4Very low32Very low74 Ų74114.2 Ų114.276%0.76382%0.822SS**  cis142.4134.111.900000108.4
401G34.3Very low31.9Very low83 Ų83113.9 Ų113.986%0.85682%0.819SS**  trans178.7122.4-176.300000112.8
402V31.8Very low32.1Very low148 Ų148115.6 Ų115.690%0.89783%0.825SS**  trans-93.4142.8-170.2176.20000111.5
403G32.8Very low32.1Very low79 Ų79117.2 Ų117.281%0.81483%0.825SS**  trans-172.389.8171.100000113
404V31.3Very low32.3Very low144 Ų144111.3 Ų111.387%0.87382%0.816SS**  trans-83.9143.6177.9-88.40000112.5
405G32Very low32.5Very low76 Ų76114 Ų11478%0.78482%0.817SS**  trans175.497.3169.600000113
406F29.1Very low33Very low218 Ų218113.7 Ų113.796%0.95680%0.802SS**  trans-75.4135.5172.7-79.5-96.7000110.9
407G31.2Very low33.4Very low77 Ų77116.8 Ų116.879%0.79481%0.811SS**  trans-154.3108.4172.800000110.8
408T30.5Very low34.2Very low145 Ų145114.8 Ų114.889%0.8979%0.791SS**  trans-90.3142.1179.447.40000111.8
409G28Very low34.8Very low67 Ų67120.4 Ų120.469%0.69180%0.799SS**  trans92.7147.2179.400000112.5
410N31.1Very low34.9Very low165 Ų165122.1 Ų122.188%0.88280%0.797SS**  cis-135.2145.111.3-122.615.1000111.2
411A30.7Very low35.8Very low86 Ų86122.9 Ų122.971%0.71178%0.78SS**  trans-74.5126.3163.400000109.1T413A411-T413 PolarHBondContact O-N 2.9Å
412S34.2Very low36.7Very low123 Ų123126.5 Ų126.586%0.8678%0.78SS**  trans-84.291.6169.255.60000109.4G414S412-G414 PolarHBondContact O-N 2.92Å
413T32.8Very low37.7Very low131 Ų131120.3 Ų120.380%0.80475%0.746SS**  trans-65.4116.3164.645.90000108.9A411A411-T413 PolarHBondContact O-N 2.9Å
414G34.9Very low38.8Very low68 Ų68121.2 Ų121.270%0.70173%0.731SS**  trans-110.1125.316600000108.3S412 D416S412-G414 PolarHBondContact O-N 2.92Å; G414-D416 PolarHBondContact O-N 3.16Å
415D33.4Very low40.2Very low154 Ų154117.7 Ų117.782%0.82471%0.713SS**  trans-60.5130.7-175.3-53.2-65000111.8
416D44.6Very low41.6Very low91 Ų91116.4 Ų116.449%0.48769%0.688SS.*  trans-143.3108.8163-97.9-31000104.3K32 G414 D418K32-D416 IonicContact NZ-OD2 2.78Å; K32-D416 PolarHBondContact NZ-OD2 2.95Å; G414-D416 PolarHBondContact O-N 3.16Å; D416-D418 VanDerWaalsContact C-N 3.35Å; D416-D418 PolarHBondContact O-N 2.83Å
417D41.1Very low42.5Very low168 Ų168111.6 Ų111.690%0.89868%0.679SS**  trans-65.787.8176.9-64.3-68.8000110.6E419D417-E419 PolarHBondContact O-N 3.04Å
418D47.2Very low43.2Very low92 Ų92114 Ų11449%0.49267%0.669SS.*  trans-81.7105.4164.8-94.5-41.3000107.7K30 D416 E420K30-D418 IonicContact NZ-OD1 2.71Å; K30-D418 PolarHBondContact NZ-OD1 3.46Å; K30-D418 IonicContact NZ-OD2 2.97Å; K30-D418 PolarHBondContact NZ-OD2 2.89Å; D416-D418 VanDerWaalsContact C-N 3.35Å; D416-D418 PolarHBondContact O-N 2.83Å; D418-E420 PolarHBondContact O-N 2.79Å
419E47.5Very low43.5Very low185 Ų185114.2 Ų114.286%0.86467%0.665SS**  trans-52.7137171.3-66.4-175.1161.200110.9D417 E421D417-E419 PolarHBondContact O-N 3.04Å; E419-E421 PolarHBondContact O-N 3.15Å
420E41.5Very low43.6Very low190 Ų190118.2 Ų118.289%0.88867%0.67SS**  trans-66.787.6-177.8-67.8-172.3151.100111.9D418D418-E420 PolarHBondContact O-N 2.79Å
421E52.2Low43.6Very low90 Ų90115 Ų11542%0.42166%0.656SS.*  trans-79.9110.2163.6-78.7-167.7-124.200109.9K50 R142 E419 G423K50-E421 IonicContact NZ-OE1 3.63Å; K50-E421 PolarHBondContact NZ-OE1 3.18Å; K50-E421 IonicContact NZ-OE2 3.23Å; K50-E421 PolarHBondContact NZ-OE2 3.47Å; R142-E421 IonicContact NH1-OE1 3.62Å; R142-E421 PolarHBondContact NH1-OE1 2.96Å; R142-E421 VanDerWaalsContact NH1-OE1 3.11Å; E419-E421 PolarHBondContact O-N 3.15Å; E421-G423 PolarHBondContact O-N 2.83Å
422D52.9Low43.6Very low160 Ų160119.7 Ų119.786%0.85666%0.664SS**  trans-63.244.7175.5-78.6-40.1000115.1
423G53.2Low43.7Very low18 Ų18118.2 Ų118.219%0.18665%0.649CS.*  trans-106.6135.5-179.600000112.7E421 S425E421-G423 PolarHBondContact O-N 2.83Å; G423-S425 PolarHBondContact O-N 2.86Å; G423-S425 VanDerWaalsContact O-N 3.17Å
424I56.4Low43.7Very low97 Ų97115.7 Ų115.750%0.49764%0.635SS.*  trans-71.6110.6174.3-66.4157.4000108.6D23 A27 Y28D23-I424 HydrophobicContact CB-CD1 3.75Å; A27-I424 VanDerWaalsContact CA-O 3.31Å; A27-I424 WeakPolarHBondContact CA-O 3.13Å; Y28-I424 PolarHBondContact N-O 3.19Å
425S60.8Low44Very low70 Ų70117.3 Ų117.349%0.4963%0.632SS.*BIsolated β-bridgetrans-69.5137.9168.552.20000110.1G423G423-S425 PolarHBondContact O-N 2.86Å; G423-S425 VanDerWaalsContact O-N 3.17Å
426I59.5Low44.5Very low50 Ų50114.7 Ų114.726%0.25663%0.625SS.*PPolyproline II helixtrans-69.6123.8169.1-59.6179.4000107.1V14 Y28 P54 E428V14-I426 HydrophobicContact CG2-CG2 4.27Å; Y28-I426 PolarHBondContact O-N 3.35Å; P54-I426 HydrophobicContact CG-CD1 3.67Å; I426-E428 PolarHBondContact O-N 3.12Å
427P49.8Very low44.3Very low117 Ų117117.8 Ų117.876%0.7664%0.637SS**PPolyproline II helixtrans-64.9124.8-172.624.1-33.6000111.4N429P427-N429 PolarHBondContact O-N 3.47Å
428E45.6Very low44.5Very low127 Ų127113.2 Ų113.259%0.59361%0.612SS**  trans-67.8113.5169.9-63.2-174.1146.100108.6Y6 I426 N430Y6-E428 PolarHBondContact OH-OE1 2.98Å; I426-E428 PolarHBondContact O-N 3.12Å; E428-N430 PolarHBondContact O-N 3.48Å; E428-N430 VanDerWaalsContact O-N 3.08Å
429N36.1Very low44.6Very low150 Ų150113.3 Ų113.380%0.80262%0.616SS**  trans-71.3107.2166.2-164.337000106.8P427 T431P427-N429 PolarHBondContact O-N 3.47Å; N429-T431 PolarHBondContact O-N 2.94Å
430N30.1Very low44.6Very low151 Ų151108.8 Ų108.881%0.80760%0.603SS**  trans-73.166.8-163.2-163.516.7000112.7E428E428-N430 PolarHBondContact O-N 3.48Å; E428-N430 VanDerWaalsContact O-N 3.08Å
431T31.5Very low45Very low96 Ų96105 Ų10559%0.58959%0.594SS**  trans-94.7120.7171.3-50.20000107.2N429 V433N429-T431 PolarHBondContact O-N 2.94Å; T431-V433 VanDerWaalsContact C-N 3.26Å; T431-V433 PolarHBondContact O-N 3.12Å
432Q31.1Very low44.8Very low185 Ų185108.4 Ų108.486%0.86462%0.616SS**  trans-64.989.6167.7-75.3179-15.900109P434Q432-P434 WeakPolarHBondContact O-CD 3.27Å
433V35.6Very low44.8Very low92 Ų92104.8 Ų104.856%0.55860%0.603SS**  trans-66.9123.1169.6-167.30000106.8T431 T435T431-V433 VanDerWaalsContact C-N 3.26Å; T431-V433 PolarHBondContact O-N 3.12Å; V433-T435 PolarHBondContact O-N 3.37Å; V433-T435 VanDerWaalsContact O-N 3.13Å
434P32.8Very low44.4Very low78 Ų78107.3 Ų107.351%0.50662%0.616SS.*  trans-57.8121.5-179.3-2534.8000110.5Q432 S436 E437Q432-P434 WeakPolarHBondContact O-CD 3.27Å; P434-S436 PolarHBondContact O-N 2.81Å; P434-E437 PolarHBondContact O-N 2.87Å
435T40.2Very low43.9Very low103 Ų103108.8 Ų108.863%0.63263%0.632SS**G310 helixtrans-63.6-6.7-179.943.40000113.7V433V433-T435 PolarHBondContact O-N 3.37Å; V433-T435 VanDerWaalsContact O-N 3.13Å
436S44.5Very low42.7Very low98 Ų98108.5 Ų108.569%0.68564%0.641SS**G310 helixtrans-72.3-21.1176.6-43.30000114.7P434P434-S436 PolarHBondContact O-N 2.81Å
437E41.8Very low41.6Very low157 Ų157110.7 Ų110.773%0.73467%0.666SS**G310 helixtrans-103.68.8-168.2-144.7170.3-16200113.9P434P434-E437 PolarHBondContact O-N 2.87Å
438L44.3Very low41.1Very low71 Ų71110.5 Ų110.537%0.37266%0.655SS.*  trans-119.727.5-174.3-63.9177.9000114.1
439T48.6Very low40.8Very low95 Ų95109.9 Ų109.958%0.58366%0.663SS**PPolyproline II helixtrans-69.3135.4165.345.90000110.3
440P47.8Very low40.8Very low90 Ų90109 Ų10958%0.58466%0.658SS**PPolyproline II helixtrans-56.2141.2169.5-20.732.3000110.3
441P49.7Very low41.2Very low109 Ų109107.1 Ų107.171%0.70865%0.654SS**PPolyproline II helixtrans-64.3140.4173.627.4-33.7000110.3S443P441-S443 PolarHBondContact O-N 2.99Å
442D48.3Very low41.7Very low162 Ų162108.9 Ų108.987%0.86666%0.655SS**PPolyproline II helixtrans-55.2135.4169.6-87.6-43.9000110P444D442-P444 WeakPolarHBondContact O-CD 3.37Å
443S52.1Low42.6Very low85 Ų85107.2 Ų107.259%0.59465%0.652SS**PPolyproline II helixtrans-66119.2-175.4-68.50000110.6P441P441-S443 PolarHBondContact O-N 2.99Å
444P45.4Very low43.8Very low70 Ų70106 Ų10646%0.45564%0.639SS.*PPolyproline II helixtrans-64.6150.5170.927.8-33.6000110D442 G446D442-P444 WeakPolarHBondContact O-CD 3.37Å; P444-G446 PolarHBondContact O-N 2.94Å
445P45.6Very low45Very low128 Ų128106.6 Ų106.683%0.83165%0.645SS**SBendtrans-54.2140.3173.8-2434.1000111A447P445-A447 PolarHBondContact O-N 3.37Å; P445-A447 VanDerWaalsContact O-N 3.11Å
446G36.1Very low46.5Very low65 Ų65103.4 Ų103.467%0.6763%0.633SS**  trans-53.6113.4-163.700000114.6P444 E448P444-G446 PolarHBondContact O-N 2.94Å; G446-E448 VanDerWaalsContact C-N 3.29Å; G446-E448 PolarHBondContact O-N 2.88Å
447A36.5Very low48.3Very low96 Ų96105.7 Ų105.779%0.79363%0.633SS**  trans-77.588152.600000107.1P445 C449P445-A447 PolarHBondContact O-N 3.37Å; P445-A447 VanDerWaalsContact O-N 3.11Å; A447-C449 PolarHBondContact O-N 3.26Å
448E39.1Very low50.4Low113 Ų11399.9 Ų99.953%0.52861%0.607SS.*  trans-56.9129.3170.2-67.4-171.9165.400108.6G446 L450G446-E448 VanDerWaalsContact C-N 3.29Å; G446-E448 PolarHBondContact O-N 2.88Å; E448-L450 PolarHBondContact O-N 3.35Å
449C38.9Very low52.3Low113 Ų113100.4 Ų100.476%0.76461%0.607SS**  trans-71.385.5171.8-172.20000107.1A447A447-C449 PolarHBondContact O-N 3.26Å
450L36Very low53.9Low131 Ų131100.7 Ų100.769%0.68661%0.61SS**  trans-50132.5-177.7-70.7177.2000109.5E448 Q452E448-L450 PolarHBondContact O-N 3.35Å; L450-Q452 PolarHBondContact O-N 3.43Å
451P40.3Very low55.6Low113 Ų11399 Ų9973%0.73460%0.599SS**  trans-57.897.1175.5-24.534.3000110.3L453P451-L453 PolarHBondContact O-N 3.09Å
452Q41.5Very low57.4Low132 Ų13295.4 Ų95.462%0.61757%0.573SS**  trans-63.8107.7171.8-79.2-174.6-15.600107.7R162 L450 F454R162-Q452 VanDerWaalsContact NH2-CB 3.26Å; R162-Q452 PolarHBondContact NH2-O 3.06Å; L450-Q452 PolarHBondContact O-N 3.43Å; Q452-F454 PolarHBondContact O-N 2.87Å
453L50.4Low59.4Low150 Ų15088 Ų8879%0.78553%0.534SS*.  trans-35.3126.4171.6-89.4151000110.4P451 S455P451-L453 PolarHBondContact O-N 3.09Å; L453-S455 PolarHBondContact O-N 2.91Å
454F60.2Low61.3Low66 Ų6686 Ų8629%0.28952%0.515SS..  trans-60.2112.7-174.4176.2-115.7000109.9L163 Q452 G456 E457 L458 I478L163-F454 HydrophobicContact CD1-CD2 4.07Å; L163-F454 HydrophobicContact CD1-CE2 4.09Å; L163-F454 HydrophobicContact CD2-CB 4.08Å; L163-F454 HydrophobicContact CD2-CD2 3.85Å; L163-F454 HydrophobicContact CD2-CG 4.16Å; Q452-F454 PolarHBondContact O-N 2.87Å; F454-G456 VanDerWaalsContact CZ-C 3.48Å; F454-G456 PolarHBondContact O-N 2.83Å; F454-E457 VanDerWaalsContact CE2-O 3.27Å; F454-E457 WeakPolarHBondContact CE2-O 3.31Å; F454-L458 HydrophobicContact CE2-CD2 4.09Å; F454-L458 HydrophobicContact CZ-CD2 4.48Å; F454-I478 HydrophobicContact CD1-CD1 4.44Å; F454-I478 HydrophobicContact CE1-CD1 3.67Å; F454-I478 HydrophobicContact CE2-CD1 3.9Å; F454-I478 HydrophobicContact CZ-CD1 3.37Å
455S58.7Low63.6Low92 Ų9282.9 Ų82.964%0.64349%0.494SS*.  trans-76.619.2-173.361.20000113.7L453 E457L453-S455 PolarHBondContact O-N 2.91Å; S455-E457 PolarHBondContact O-N 2.84Å
456G70.6Confident65.9Low36 Ų3677.5 Ų77.537%0.37146%0.462SS..SBendtrans75-11.8-172.200000114.7F454 K468F454-G456 VanDerWaalsContact CZ-C 3.48Å; F454-G456 PolarHBondContact O-N 2.83Å; G456-K468 WeakPolarHBondContact O-CE 3.48Å; G456-K468 PolarHBondContact O-NZ 2.9Å
457E81.6Confident68.7Low145 Ų14575.6 Ų75.668%0.67844%0.436SS*.SBendtrans-116.5144.2-178.6-67.6-168.5165.400112.6F454 S455F454-E457 VanDerWaalsContact CE2-O 3.27Å; F454-E457 WeakPolarHBondContact CE2-O 3.31Å; S455-E457 PolarHBondContact O-N 2.84Å
458L86Confident71.4Confident36 Ų3675.5 Ų75.519%0.18842%0.418CS..  trans-85.7130.8176.5-68.9172.4000109.4L163 F454 P460 E463 K468 I478L163-L458 HydrophobicContact CD1-CD2 4.01Å; F454-L458 HydrophobicContact CE2-CD2 4.09Å; F454-L458 HydrophobicContact CZ-CD2 4.48Å; L458-P460 WeakPolarHBondContact O-CD 3.44Å; L458-E463 VanDerWaalsContact CA-OE2 3.28Å; L458-E463 WeakPolarHBondContact CA-OE2 3.26Å; L458-E463 HydrophobicContact CB-CB 4.11Å; L458-E463 HydrophobicContact CD2-CB 3.98Å; L458-E463 HydrophobicContact CD2-CG 4Å; L458-K468 HydrophobicContact CD1-CG 3.95Å; L458-K468 HydrophobicContact CG-CG 4.38Å; L458-I478 HydrophobicContact CD1-CG2 4.46Å; L458-I478 HydrophobicContact CD2-CD1 4.18Å; L458-I478 HydrophobicContact CD2-CG2 3.91Å
459H85.8Confident73.8Confident81 Ų8171 Ų7138%0.37540%0.399SS..  trans-75.9114179.1-168.1-85.3000110T461 L462 E463H459-T461 PolarHBondContact CE1-OG1 2.87Å; H459-T461 PolarHBondContact ND1-OG1 2.81Å; H459-T461 VanDerWaalsContact ND1-OG1 3.07Å; H459-T461 PolarHBondContact O-N 3.06Å; H459-L462 HydrophobicContact CB-CB 4.21Å; H459-L462 HydrophobicContact CB-CD1 4.33Å; H459-L462 HydrophobicContact CB-CG 4.47Å; H459-L462 PolarHBondContact O-N 3.19Å; H459-E463 PolarHBondContact N-OE2 3.47Å; H459-E463 PolarHBondContact O-N 3.29Å
460P82.1Confident76.3Confident101 Ų10167 Ų6766%0.65637%0.372SS*.THydrogen-bonded Turntrans-61.5-26.2-163.122.2-34000114.4L458L458-P460 WeakPolarHBondContact O-CD 3.44Å
461T83.1Confident78.6Confident55 Ų5568.9 Ų68.934%0.33738%0.381SS..THydrogen-bonded Turntrans-90.8-23.3177.265.30000114.4R156 H459R156-T461 PolarHBondContact NH1-O 3.41Å; H459-T461 PolarHBondContact CE1-OG1 2.87Å; H459-T461 PolarHBondContact ND1-OG1 2.81Å; H459-T461 VanDerWaalsContact ND1-OG1 3.07Å; H459-T461 PolarHBondContact O-N 3.06Å
462L87.1Confident80.6Confident33 Ų3370.5 Ų70.517%0.17338%0.383CS..THydrogen-bonded Turntrans-96.8-31.4-177.9-62.1175.8000111.5Q100 P161 H459Q100-L462 HydrophobicContact CG-CD2 4.1Å; P161-L462 HydrophobicContact CG-CB 4.31Å; P161-L462 HydrophobicContact CG-CD1 4.45Å; P161-L462 HydrophobicContact CG-CD2 4.29Å; H459-L462 HydrophobicContact CB-CB 4.21Å; H459-L462 HydrophobicContact CB-CD1 4.33Å; H459-L462 HydrophobicContact CB-CG 4.47Å; H459-L462 PolarHBondContact O-N 3.19Å
463E91.1Very high82.6Confident8 Ų865 Ų654%0.03736%0.359CS..SBendtrans-114.938.7-178-76.5130.8-159.700111.2S160 L458 H459 Y465 G466 F480S160-E463 WeakPolarHBondContact CB-OE1 3.39Å; S160-E463 PolarHBondContact OG-OE1 3.32Å; L458-E463 VanDerWaalsContact CA-OE2 3.28Å; L458-E463 WeakPolarHBondContact CA-OE2 3.26Å; L458-E463 HydrophobicContact CB-CB 4.11Å; L458-E463 HydrophobicContact CD2-CB 3.98Å; L458-E463 HydrophobicContact CD2-CG 4Å; H459-E463 PolarHBondContact N-OE2 3.47Å; H459-E463 PolarHBondContact O-N 3.29Å; E463-Y465 PolarHBondContact O-N 3.05Å; E463-Y465 VanDerWaalsContact O-N 3.12Å; E463-G466 WeakPolarHBondContact O-CA 3.5Å; E463-G466 PolarHBondContact O-N 3.2Å; E463-F480 HydrophobicContact CB-CE1 4.16Å; E463-F480 HydrophobicContact CG-CE1 3.76Å; E463-F480 HydrophobicContact CG-CZ 3.99Å
464H91.3Very high84Confident42 Ų4262.6 Ų62.619%0.19435%0.353CS..THydrogen-bonded Turntrans-50.3-37.2179.5173.290.9000113.5G130 T132 Q136G130-H464 PolarHBondContact O-CE1 2.83Å; G130-H464 VanDerWaalsContact O-CE1 3.28Å; T132-H464 PolarHBondContact O-NE2 2.82Å; Q136-H464 PolarHBondContact NE2-CD2 3.21Å; Q136-H464 PolarHBondContact NE2-CE1 2.85Å; Q136-H464 PolarHBondContact NE2-ND1 3.11Å; Q136-H464 PolarHBondContact NE2-NE2 3.18Å
465Y94.6Very high85Confident4 Ų464.4 Ų64.42%0.01636%0.362CS..THydrogen-bonded Turntrans-89.53179-59.7-73.5000113.8L134 Q136 V158 E463 F480 V481 A482L134-Y465 PolarHBondContact O-OH 3.27Å; Q136-Y465 PolarHBondContact N-OH 3.19Å; V158-Y465 HydrophobicContact CB-CD2 4.43Å; V158-Y465 HydrophobicContact CG1-CD2 4.48Å; V158-Y465 HydrophobicContact CG1-CG 4.47Å; V158-Y465 HydrophobicContact CG2-CE2 4.39Å; E463-Y465 PolarHBondContact O-N 3.05Å; E463-Y465 VanDerWaalsContact O-N 3.12Å; Y465-F480 WeakPolarHBondContact O-CA 3.42Å; Y465-V481 WeakPolarHBondContact CD1-O 3.39Å; Y465-V481 PolarHBondContact O-N 2.9Å; Y465-A482 HydrophobicContact CD1-CB 3.54Å; Y465-A482 HydrophobicContact CE1-CB 3.66Å; Y465-A482 HydrophobicContact CG-CB 4.01Å
466G94Very high86.4Confident16 Ų1663.2 Ų63.217%0.16535%0.352CS..EExtended strand (participates in β ladder)trans-84.2132.4-174.300000113.1E463 Y479E463-G466 WeakPolarHBondContact O-CA 3.5Å; E463-G466 PolarHBondContact O-N 3.2Å; G466-Y479 CarbonylContact C-O 3.52Å; G466-Y479 WeakPolarHBondContact CA-O 3.47Å
467I93.6Very high87.4Confident25 Ų2563 Ų6313%0.12834%0.342CS..EExtended strand (participates in β ladder)trans-132.5123.5178.1-56.6173.9000107.8I266 M274 Y479I266-I467 HydrophobicContact CD1-CG2 4.17Å; I266-I467 HydrophobicContact CG1-CG2 4.33Å; I266-I467 HydrophobicContact CG2-CG2 3.82Å; M274-I467 HydrophobicContact CB-CD1 4.06Å; M274-I467 HydrophobicContact CG-CD1 3.87Å; M274-I467 HydrophobicContact SD-CD1 3.37Å; M274-I467 WeakPolarHBondContact SD-CD1 3.41Å; I467-Y479 PolarHBondContact N-O 2.84Å; I467-Y479 PolarHBondContact O-N 3.03Å
468K92.7Very high87.9Confident93 Ų9356.3 Ų56.340%0.40431%0.311SS..EExtended strand (participates in β ladder)trans-73.8150.5174.3-64174.6176.8177.20110.6G456 L458G456-K468 WeakPolarHBondContact O-CE 3.48Å; G456-K468 PolarHBondContact O-NZ 2.9Å; L458-K468 HydrophobicContact CD1-CG 3.95Å; L458-K468 HydrophobicContact CG-CG 4.38Å
469S91.3Very high88.3Confident19 Ų1954.7 Ų54.713%0.13330%0.303CS..PPolyproline II helixtrans-62.6163.4167.6640000112.1H265 P476 L477H265-S469 CarbonylContact O-C 3.51Å; H265-S469 WeakPolarHBondContact O-CA 3.18Å; H265-S469 VanDerWaalsContact O-CB 3.3Å; H265-S469 WeakPolarHBondContact O-CB 3.48Å; S469-P476 WeakPolarHBondContact OG-CA 3.48Å; S469-L477 WeakPolarHBondContact CB-O 3.45Å; S469-L477 PolarHBondContact N-O 3.44Å; S469-L477 PolarHBondContact OG-N 3.01Å; S469-L477 PolarHBondContact OG-O 3.15Å
470S89.6Confident88.8Confident29 Ų2950.8 Ų50.820%0.20329%0.285CS..PPolyproline II helixtrans-58.2153.5167.1-163.60000111.1H265 D472 S473H265-S470 PolarHBondContact O-N 3.39Å; S470-D472 PolarHBondContact O-N 3.24Å; S470-D472 PolarHBondContact OG-OD2 2.97Å; S470-S473 WeakPolarHBondContact O-CB 3.2Å; S470-S473 PolarHBondContact O-N 3.11Å; S470-S473 VanDerWaalsContact O-N 3.16Å
471I85Confident89.4Confident171 Ų17146 Ų4688%0.87725%0.254SS*.THydrogen-bonded Turntrans-64.6-30.3173.3-58.2171.3000110.2S473I471-S473 PolarHBondContact O-N 2.7Å
472D83.4Confident90Very high146 Ų14643.4 Ų43.478%0.78124%0.238SC*.THydrogen-bonded Turntrans-78.90176.8-44.7-69.5000113.8S470S470-D472 PolarHBondContact O-N 3.24Å; S470-D472 PolarHBondContact OG-OD2 2.97Å
473S82.2Confident90.4Very high16 Ų1641.9 Ų41.911%0.11223%0.229CC..  trans-67.8133.5177.7-174.30000110.2S470 I471 H475S470-S473 WeakPolarHBondContact O-CB 3.2Å; S470-S473 PolarHBondContact O-N 3.11Å; S470-S473 VanDerWaalsContact O-N 3.16Å; I471-S473 PolarHBondContact O-N 2.7Å; S473-H475 WeakPolarHBondContact CB-O 3.11Å; S473-H475 PolarHBondContact O-N 2.91Å; S473-H475 PolarHBondContact OG-O 3.32Å
474P79.3Confident90.6Very high100 Ų10042.7 Ų42.765%0.64923%0.234SC*.SBendtrans-64.8-20.3178.127.3-35.5000113.2
475H82.4Confident90.5Very high104 Ų10443.4 Ų43.448%0.48124%0.239SC..SBendtrans-132.3122.9173.8-61.9-72.6000108.8S473 L477S473-H475 WeakPolarHBondContact CB-O 3.11Å; S473-H475 PolarHBondContact O-N 2.91Å; S473-H475 PolarHBondContact OG-O 3.32Å; H475-L477 PolarHBondContact O-N 3.22Å
476P87.7Confident90.4Very high68 Ų6843.3 Ų43.344%0.44224%0.239SC..  trans-71.7116.1177.728.6-32.5000109.5P302 S469P302-P476 WeakPolarHBondContact CD-O 3.34Å; S469-P476 WeakPolarHBondContact OG-CA 3.48Å
477L91.7Very high90.3Very high30 Ų3043 Ų4316%0.15723%0.233CC..  trans-123.9157.4-177.4-66.9177.1000111.2V299 D301 S469 H475 Y479V299-L477 HydrophobicContact CG1-CB 4.43Å; V299-L477 HydrophobicContact CG1-CD1 4.16Å; V299-L477 HydrophobicContact CG1-CD2 4.22Å; D301-L477 HydrophobicContact CB-CD2 3.79Å; S469-L477 WeakPolarHBondContact CB-O 3.45Å; S469-L477 PolarHBondContact N-O 3.44Å; S469-L477 PolarHBondContact OG-N 3.01Å; S469-L477 PolarHBondContact OG-O 3.15Å; H475-L477 PolarHBondContact O-N 3.22Å; L477-Y479 HydrophobicContact CB-CE1 4.27Å; L477-Y479 HydrophobicContact CB-CE2 4.38Å; L477-Y479 HydrophobicContact CD1-CE1 4.29Å
478I92.6Very high89.9Confident5 Ų544.2 Ų44.23%0.02624%0.242CC..EExtended strand (participates in β ladder)trans-121.9118.5174-62.2175.4000108.3L163 H300 F454 L458 F480L163-I478 HydrophobicContact CD1-CD1 3.87Å; L163-I478 HydrophobicContact CD1-CG2 4.39Å; H300-I478 HydrophobicContact CB-CB 4.17Å; H300-I478 PolarHBondContact N-O 2.88Å; H300-I478 PolarHBondContact O-N 2.98Å; F454-I478 HydrophobicContact CD1-CD1 4.44Å; F454-I478 HydrophobicContact CE1-CD1 3.67Å; F454-I478 HydrophobicContact CE2-CD1 3.9Å; F454-I478 HydrophobicContact CZ-CD1 3.37Å; L458-I478 HydrophobicContact CD1-CG2 4.46Å; L458-I478 HydrophobicContact CD2-CD1 4.18Å; L458-I478 HydrophobicContact CD2-CG2 3.91Å; I478-F480 HydrophobicContact CG2-CD2 4.43Å; I478-F480 HydrophobicContact CG2-CE2 3.79Å; I478-F480 HydrophobicContact CG2-CZ 4.03Å
479Y94Very high89.5Confident2 Ų245.8 Ų45.81%0.00825%0.246CC..EExtended strand (participates in β ladder)trans-98.9130.6-179.1-54-72.1000110M264 H265 I266 G298 V299 G466 I467 L477M264-Y479 HydrophobicContact CB-CE1 4.36Å; M264-Y479 HydrophobicContact CB-CE2 4.35Å; M264-Y479 HydrophobicContact CE-CD1 3.91Å; M264-Y479 HydrophobicContact CE-CD2 4.3Å; M264-Y479 HydrophobicContact CE-CG 3.71Å; M264-Y479 HydrophobicContact CG-CD1 4.33Å; M264-Y479 HydrophobicContact CG-CE1 4.21Å; H265-Y479 PolarHBondContact N-OH 2.85Å; I266-Y479 HydrophobicContact CD1-CD2 4.1Å; I266-Y479 HydrophobicContact CG1-CD2 3.85Å; I266-Y479 HydrophobicContact CG1-CE2 3.9Å; G298-Y479 CarbonylContact O-C 3.6Å; G298-Y479 WeakPolarHBondContact O-CA 3.43Å; V299-Y479 HydrophobicContact CG1-CD1 4.27Å; V299-Y479 HydrophobicContact CG1-CE1 4.19Å; V299-Y479 HydrophobicContact CG2-CD1 4.18Å; V299-Y479 HydrophobicContact CG2-CE1 4.44Å; G466-Y479 CarbonylContact C-O 3.52Å; G466-Y479 WeakPolarHBondContact CA-O 3.47Å; I467-Y479 PolarHBondContact N-O 2.84Å; I467-Y479 PolarHBondContact O-N 3.03Å; L477-Y479 HydrophobicContact CB-CE1 4.27Å; L477-Y479 HydrophobicContact CB-CE2 4.38Å; L477-Y479 HydrophobicContact CD1-CE1 4.29Å
480F95.3Very high88.8Confident0 Ų046.3 Ų46.30%025%0.245CC..EExtended strand (participates in β ladder)trans-106.3114170.9-70.5-85.6000108.9V158 F159 S160 L163 I165 I297 G298 H300 E463 Y465 I478V158-F480 WeakPolarHBondContact O-CD1 3.19Å; F159-F480 HydrophobicContact CD1-CB 3.78Å; F159-F480 HydrophobicContact CD1-CG 4.28Å; F159-F480 HydrophobicContact CE1-CB 4.25Å; S160-F480 VanDerWaalsContact CB-CZ 3.46Å; L163-F480 HydrophobicContact CB-CE2 4.4Å; L163-F480 HydrophobicContact CB-CZ 4.33Å; L163-F480 HydrophobicContact CD1-CZ 4.14Å; I165-F480 HydrophobicContact CD1-CD2 3.49Å; I165-F480 VanDerWaalsContact CD1-CD2 3.49Å; I165-F480 HydrophobicContact CD1-CE2 3.82Å; I165-F480 HydrophobicContact CD1-CG 4.35Å; I297-F480 CarbonylContact C-O 3.42Å; I297-F480 VanDerWaalsContact CA-O 3.28Å; I297-F480 WeakPolarHBondContact CA-O 3.43Å; G298-F480 PolarHBondContact N-O 3.43Å; G298-F480 PolarHBondContact O-N 3.04Å; H300-F480 HydrophobicContact CB-CE2 4.18Å; E463-F480 HydrophobicContact CB-CE1 4.16Å; E463-F480 HydrophobicContact CG-CE1 3.76Å; E463-F480 HydrophobicContact CG-CZ 3.99Å; Y465-F480 WeakPolarHBondContact O-CA 3.42Å; I478-F480 HydrophobicContact CG2-CD2 4.43Å; I478-F480 HydrophobicContact CG2-CE2 3.79Å; I478-F480 HydrophobicContact CG2-CZ 4.03Å
481V95.1Very high87.9Confident1 Ų146.1 Ų46.11%0.00625%0.248CC..EExtended strand (participates in β ladder)trans-123.9121.4-170.7-1770000110.3M264 M274 L295 L296 Y465M264-V481 HydrophobicContact CE-CG2 3.54Å; M274-V481 HydrophobicContact SD-CB 4.31Å; M274-V481 HydrophobicContact SD-CG1 4.1Å; M274-V481 HydrophobicContact SD-CG2 4.17Å; L295-V481 HydrophobicContact CD1-CG1 3.76Å; L295-V481 HydrophobicContact CD2-CG1 3.81Å; L295-V481 HydrophobicContact CG-CG1 3.9Å; L296-V481 WeakPolarHBondContact O-CA 3.42Å; Y465-V481 WeakPolarHBondContact CD1-O 3.39Å; Y465-V481 PolarHBondContact O-N 2.9Å
482A96.5Very high86.7Confident0 Ų044.6 Ų44.60%024%0.238CC..EExtended strand (participates in β ladder)trans-149.8152.5176.300000112.4L133 V158 L296 Y465L133-A482 CarbonylContact O-C 3.56Å; L133-A482 WeakPolarHBondContact O-CA 3.48Å; V158-A482 HydrophobicContact CB-CB 4.16Å; V158-A482 HydrophobicContact CG1-CB 3.51Å; V158-A482 HydrophobicContact CG2-CB 3.55Å; L296-A482 PolarHBondContact N-O 3.22Å; L296-A482 PolarHBondContact O-N 3.49Å; Y465-A482 HydrophobicContact CD1-CB 3.54Å; Y465-A482 HydrophobicContact CE1-CB 3.66Å; Y465-A482 HydrophobicContact CG-CB 4.01Å
483I95.6Very high85.7Confident0 Ų047.1 Ų47.10%024%0.237CC..EExtended strand (participates in β ladder)trans-82137.1169.7-53.5175.7000108.8L133 L134 P135 L278 D281 L285 Y293 S294 L295 I486L133-I483 HydrophobicContact CB-CG1 4.24Å; L133-I483 PolarHBondContact O-N 2.83Å; L134-I483 HydrophobicContact CD2-CB 4.39Å; L134-I483 HydrophobicContact CD2-CD1 4.02Å; P135-I483 VanDerWaalsContact CD-O 3.25Å; P135-I483 WeakPolarHBondContact CD-O 3.23Å; P135-I483 VanDerWaalsContact CG-O 3.31Å; P135-I483 WeakPolarHBondContact CG-O 3.45Å; L278-I483 HydrophobicContact CD1-CD1 3.88Å; L278-I483 HydrophobicContact CD1-CG1 4.23Å; D281-I483 HydrophobicContact CB-CD1 3.71Å; L285-I483 HydrophobicContact CD1-CD1 4.05Å; L285-I483 HydrophobicContact CD1-CG2 4.08Å; Y293-I483 HydrophobicContact CD2-CG2 4.07Å; Y293-I483 HydrophobicContact CG-CG2 4.2Å; S294-I483 CarbonylContact O-C 3.49Å; S294-I483 VanDerWaalsContact O-CA 3.26Å; S294-I483 WeakPolarHBondContact O-CA 3.34Å; L295-I483 HydrophobicContact CD1-CG1 3.97Å; I483-I486 HydrophobicContact CG2-CG2 3.6Å
484I93.8Very high84.8Confident25 Ų2548 Ų4813%0.12824%0.239CC..EExtended strand (participates in β ladder)trans-129.7163-179.960.6161.9000112.4V158 Y293 S294 L296 I486V158-I484 HydrophobicContact CG2-CG2 4.44Å; Y293-I484 WeakPolarHBondContact CA-O 3.39Å; Y293-I484 VanDerWaalsContact CB-O 3.28Å; Y293-I484 WeakPolarHBondContact CB-O 3.4Å; S294-I484 PolarHBondContact N-O 2.86Å; S294-I484 PolarHBondContact O-N 3.49Å; L296-I484 HydrophobicContact CB-CD1 3.98Å; L296-I484 HydrophobicContact CB-CG1 4.1Å; L296-I484 HydrophobicContact CB-CG2 3.86Å; L296-I484 HydrophobicContact CD2-CD1 4.49Å; L296-I484 HydrophobicContact CD2-CG2 4.03Å; I484-I486 PolarHBondContact O-N 3.15Å
485D89.6Confident84Confident57 Ų5749.1 Ų49.131%0.30523%0.23SC..  trans56.839.6177-77-16.3000115.8K104 L487K104-D485 IonicContact NZ-OD1 2.61Å; K104-D485 PolarHBondContact NZ-OD1 3.32Å; D485-L487 VanDerWaalsContact C-N 3.26Å; D485-L487 PolarHBondContact O-N 2.97Å
486I93.5Very high83Confident2 Ų248.8 Ų48.81%0.0124%0.235CC..THydrogen-bonded Turntrans-72-5.4-176.367.6165.7000115.9M117 L134 P135 F137 L285 L290 I483 I484 T488M117-I486 HydrophobicContact CE-CD1 3.85Å; M117-I486 HydrophobicContact CE-CG1 4.28Å; L134-I486 HydrophobicContact CD2-CD1 4.26Å; L134-I486 HydrophobicContact CD2-CG2 4.25Å; P135-I486 HydrophobicContact CG-CD1 4.46Å; P135-I486 HydrophobicContact CG-CG1 4.38Å; F137-I486 HydrophobicContact CE2-CD1 3.93Å; F137-I486 HydrophobicContact CE2-CG1 4.49Å; F137-I486 HydrophobicContact CZ-CD1 3.89Å; F137-I486 HydrophobicContact CZ-CG1 3.99Å; L285-I486 HydrophobicContact CD1-CG2 4.33Å; L285-I486 HydrophobicContact CD2-CB 3.76Å; L285-I486 HydrophobicContact CD2-CD1 4.24Å; L285-I486 HydrophobicContact CD2-CG2 3.78Å; L290-I486 WeakPolarHBondContact CD1-O 3.33Å; L290-I486 WeakPolarHBondContact CD2-O 3.38Å; I483-I486 HydrophobicContact CG2-CG2 3.6Å; I484-I486 PolarHBondContact O-N 3.15Å; I486-T488 VanDerWaalsContact C-N 3.26Å; I486-T488 PolarHBondContact O-N 3.08Å
487L91.1Very high81.6Confident10 Ų1047.5 Ų47.55%0.05223%0.23CC..THydrogen-bonded Turntrans-81.49-173.7-61.5178.6000114.9I106 E110 Q113 M114 M117 L153 D485 R489I106-L487 HydrophobicContact CD1-CD1 4.47Å; E110-L487 HydrophobicContact CB-CB 4.32Å; E110-L487 HydrophobicContact CB-CD1 3.96Å; E110-L487 HydrophobicContact CG-CB 4.04Å; E110-L487 HydrophobicContact CG-CD1 4.31Å; Q113-L487 WeakPolarHBondContact CG-O 3.33Å; M114-L487 HydrophobicContact CB-CD2 4.19Å; M114-L487 HydrophobicContact SD-CD2 3.95Å; M117-L487 HydrophobicContact CE-CD2 3.48Å; M117-L487 VanDerWaalsContact CE-CD2 3.48Å; M117-L487 HydrophobicContact SD-CD2 3.97Å; L153-L487 HydrophobicContact CD2-CD1 3.73Å; D485-L487 VanDerWaalsContact C-N 3.26Å; D485-L487 PolarHBondContact O-N 2.97Å; L487-R489 PolarHBondContact O-N 3.06Å
488T85.9Confident79.9Confident51 Ų5148.6 Ų48.631%0.31324%0.235SC..  trans-94.895.8-177.9-50.80000112.3I291 I486I291-T488 PolarHBondContact N-O 2.84Å; I291-T488 WeakPolarHBondContact O-CB 3.42Å; I486-T488 VanDerWaalsContact C-N 3.26Å; I486-T488 PolarHBondContact O-N 3.08Å
489R83.2Confident78.3Confident126 Ų12652.7 Ų52.748%0.47526%0.26SS..BIsolated β-bridgetrans-63147.9176.2-149.2-168.9-177.1174-3.9113.4Q113 L487 G491Q113-R489 HydrophobicContact CG-CB 4.49Å; L487-R489 PolarHBondContact O-N 3.06Å; R489-G491 PolarHBondContact O-N 3.22Å
490Y78.2Confident76.6Confident30 Ų3059.2 Ų59.212%0.11829%0.285CS..  trans-73.864.3165.9-167.9-120.5000112.6N289 I291 K494 R495 Q498 P514N289-Y490 WeakPolarHBondContact O-CB 3.27Å; N289-Y490 PolarHBondContact O-N 3.46Å; I291-Y490 HydrophobicContact CD1-CD2 3.59Å; I291-Y490 HydrophobicContact CD1-CE2 4.33Å; I291-Y490 HydrophobicContact CD1-CG 4.43Å; I291-Y490 HydrophobicContact CG1-CD2 4.44Å; Y490-K494 HydrophobicContact CD2-CB 3.94Å; Y490-K494 HydrophobicContact CD2-CD 4.47Å; Y490-K494 HydrophobicContact CE2-CB 3.96Å; Y490-R495 HydrophobicContact CD1-CG 4.41Å; Y490-R495 HydrophobicContact CE1-CG 3.76Å; Y490-Q498 PolarHBondContact OH-OE1 3.37Å; Y490-P514 HydrophobicContact CD1-CG 4.35Å; Y490-P514 HydrophobicContact CG-CG 4.24Å
491G69.7Low74.8Confident25 Ų2562.8 Ų62.826%0.25830%0.301SS..  trans-79.9-179.5-177.700000115.2R489 R493 K494 R495R489-G491 PolarHBondContact O-N 3.22Å; G491-R493 VanDerWaalsContact C-N 3.28Å; G491-R493 PolarHBondContact O-N 2.7Å; G491-K494 PolarHBondContact O-N 3.34Å; G491-K494 VanDerWaalsContact O-N 3.1Å; G491-R495 PolarHBondContact O-N 3.26Å; G491-R495 VanDerWaalsContact O-N 3.08Å
492M59.4Low73Confident139 Ų13965.5 Ų65.569%0.68532%0.317SS*.Hα-helixtrans-54.6-40.8176.5-68.1-176.4-173.400112.8K494 R495 T496M492-K494 PolarHBondContact O-N 2.72Å; M492-R495 PolarHBondContact O-N 3.21Å; M492-R495 VanDerWaalsContact O-N 3.1Å; M492-T496 PolarHBondContact O-N 3.48Å; M492-T496 PolarHBondContact O-OG1 3.11Å
493R62.9Low71.3Confident198 Ų19871.2 Ų71.275%0.74735%0.352SS*.Hα-helixtrans-50.3-42.9176.8-64.8-178-175.9164.23.3111.5E109 G491 A497E109-R493 IonicContact OE1-CZ 3.39Å; E109-R493 IonicContact OE1-NH1 2.75Å; E109-R493 PolarHBondContact OE1-NH1 2.79Å; E109-R493 IonicContact OE1-NH2 2.79Å; E109-R493 PolarHBondContact OE1-NH2 2.71Å; G491-R493 VanDerWaalsContact C-N 3.28Å; G491-R493 PolarHBondContact O-N 2.7Å; R493-A497 PolarHBondContact O-N 3.37Å; R493-A497 VanDerWaalsContact O-N 3.14Å
494K63.8Low69.5Low36 Ų3677.2 Ų77.216%0.15738%0.378CS..Hα-helixtrans-81.5-33.8178.9-68.1-166.9176.9-176.50113.7I291 D292 Y490 G491 M492 A497 Q498 S511I291-K494 HydrophobicContact CD1-CD 3.58Å; I291-K494 HydrophobicContact CG1-CD 4.27Å; D292-K494 IonicContact OD1-NZ 3.33Å; D292-K494 PolarHBondContact OD1-NZ 3.43Å; D292-K494 IonicContact OD2-NZ 2.79Å; D292-K494 PolarHBondContact OD2-NZ 2.88Å; Y490-K494 HydrophobicContact CD2-CB 3.94Å; Y490-K494 HydrophobicContact CD2-CD 4.47Å; Y490-K494 HydrophobicContact CE2-CB 3.96Å; G491-K494 PolarHBondContact O-N 3.34Å; G491-K494 VanDerWaalsContact O-N 3.1Å; M492-K494 PolarHBondContact O-N 2.72Å; K494-A497 CarbonylContact O-C 3.5Å; K494-A497 WeakPolarHBondContact O-CB 3.49Å; K494-A497 PolarHBondContact O-N 3.24Å; K494-Q498 PolarHBondContact O-N 3.23Å; K494-S511 PolarHBondContact O-OG 3.08Å
495R61.2Low67.5Low123 Ų12381.9 Ų81.946%0.46440%0.399SS..Hα-helixtrans-60.9-42.1169.9-69.9-173.2-77.5172.6-5.5112Y490 G491 M492 Q498 T499Y490-R495 HydrophobicContact CD1-CG 4.41Å; Y490-R495 HydrophobicContact CE1-CG 3.76Å; G491-R495 PolarHBondContact O-N 3.26Å; G491-R495 VanDerWaalsContact O-N 3.08Å; M492-R495 PolarHBondContact O-N 3.21Å; M492-R495 VanDerWaalsContact O-N 3.1Å; R495-Q498 WeakPolarHBondContact O-CA 3.37Å; R495-Q498 WeakPolarHBondContact O-CB 3.4Å; R495-Q498 PolarHBondContact O-N 3.32Å; R495-Q498 VanDerWaalsContact O-N 3.15Å; R495-T499 PolarHBondContact O-N 3.48Å; R495-T499 PolarHBondContact O-OG1 2.94Å
496T61.5Low65.5Low97 Ų9780.9 Ų80.960%0.59540%0.403SS*.Hα-helixtrans-66.1-39.5174.1-54.60000111.7M492 Q498 T499 Y500M492-T496 PolarHBondContact O-N 3.48Å; M492-T496 PolarHBondContact O-OG1 3.11Å; T496-Q498 VanDerWaalsContact C-N 3.28Å; T496-Q498 PolarHBondContact O-N 3.13Å; T496-T499 PolarHBondContact O-N 3.42Å; T496-Y500 WeakPolarHBondContact O-CB 3.39Å; T496-Y500 PolarHBondContact O-N 3.28Å
497A59Low63.6Low40 Ų4084.6 Ų84.633%0.33143%0.433SS..Hα-helixtrans-62.8-34171.200000112.5R493 K494 K501R493-A497 PolarHBondContact O-N 3.37Å; R493-A497 VanDerWaalsContact O-N 3.14Å; K494-A497 CarbonylContact O-C 3.5Å; K494-A497 WeakPolarHBondContact O-CB 3.49Å; K494-A497 PolarHBondContact O-N 3.24Å; A497-K501 WeakPolarHBondContact O-CB 3.47Å; A497-K501 WeakPolarHBondContact O-CG 3.44Å; A497-K501 PolarHBondContact O-N 3.35Å
498Q56.1Low61.5Low54 Ų5490.3 Ų90.325%0.25246%0.464SS..Hα-helixtrans-59.7-58.4170.9-157-17929.500110Y490 K494 R495 T496 Y500 K501 T502 S511Y490-Q498 PolarHBondContact OH-OE1 3.37Å; K494-Q498 PolarHBondContact O-N 3.23Å; R495-Q498 WeakPolarHBondContact O-CA 3.37Å; R495-Q498 WeakPolarHBondContact O-CB 3.4Å; R495-Q498 PolarHBondContact O-N 3.32Å; R495-Q498 VanDerWaalsContact O-N 3.15Å; T496-Q498 VanDerWaalsContact C-N 3.28Å; T496-Q498 PolarHBondContact O-N 3.13Å; Q498-Y500 VanDerWaalsContact C-N 3.31Å; Q498-Y500 PolarHBondContact O-N 2.81Å; Q498-K501 PolarHBondContact O-N 3.27Å; Q498-K501 VanDerWaalsContact O-N 3.15Å; Q498-T502 WeakPolarHBondContact O-CB 3.14Å; Q498-T502 PolarHBondContact O-N 2.79Å; Q498-T502 PolarHBondContact O-OG1 2.99Å; Q498-S511 WeakPolarHBondContact CA-OG 3.34Å; Q498-S511 WeakPolarHBondContact CB-OG 3.47Å; Q498-S511 WeakPolarHBondContact CG-OG 3.35Å; Q498-S511 PolarHBondContact NE2-O 3.11Å
499T59.3Low59.5Low90 Ų9088.7 Ų88.755%0.55246%0.458SS*.Hα-helixtrans-55.8-46.2-178.8-51.80000111.3R495 T496 T502 V503R495-T499 PolarHBondContact O-N 3.48Å; R495-T499 PolarHBondContact O-OG1 2.94Å; T496-T499 PolarHBondContact O-N 3.42Å; T499-T502 PolarHBondContact O-N 3.45Å; T499-V503 HydrophobicContact CG2-CG2 4.48Å; T499-V503 WeakPolarHBondContact O-CB 3.32Å; T499-V503 WeakPolarHBondContact O-CG2 3.31Å; T499-V503 PolarHBondContact O-N 2.97Å
500Y58.5Low57.6Low139 Ų13983.6 Ų83.655%0.54544%0.444SS..Hα-helixtrans-63.2-43178.4-173.6-97.4000113T496 Q498 K504T496-Y500 WeakPolarHBondContact O-CB 3.39Å; T496-Y500 PolarHBondContact O-N 3.28Å; Q498-Y500 VanDerWaalsContact C-N 3.31Å; Q498-Y500 PolarHBondContact O-N 2.81Å; Y500-K504 HydrophobicContact CD1-CD 4.36Å; Y500-K504 HydrophobicContact CE1-CD 3.69Å; Y500-K504 WeakPolarHBondContact O-CB 3.17Å; Y500-K504 PolarHBondContact O-N 3.49Å; Y500-K504 VanDerWaalsContact OH-CE 3.27Å; Y500-K504 WeakPolarHBondContact OH-CE 3.46Å; Y500-K504 PolarHBondContact OH-NZ 3.24Å
501K57Low56.4Low76 Ų7683.5 Ų83.533%0.3345%0.448SS..Hα-helixtrans-68.9-41.5177.2-74.6-169.1-176.2-165.20111.9G232 A497 Q498 V503 K504 H505 G509G232-K501 PolarHBondContact O-NZ 2.61Å; A497-K501 WeakPolarHBondContact O-CB 3.47Å; A497-K501 WeakPolarHBondContact O-CG 3.44Å; A497-K501 PolarHBondContact O-N 3.35Å; Q498-K501 PolarHBondContact O-N 3.27Å; Q498-K501 VanDerWaalsContact O-N 3.15Å; K501-V503 VanDerWaalsContact C-N 3.35Å; K501-V503 PolarHBondContact O-N 3.01Å; K501-K504 PolarHBondContact O-N 3.25Å; K501-H505 PolarHBondContact O-N 2.95Å; K501-H505 PolarHBondContact O-ND1 3.21Å; K501-G509 WeakPolarHBondContact CD-O 3.38Å
502T57.7Low56Low57 Ų5783.2 Ų83.235%0.3544%0.441SS..Hα-helixtrans-60.9-42175.1-60.50000111.8Q498 T499 G506Q498-T502 WeakPolarHBondContact O-CB 3.14Å; Q498-T502 PolarHBondContact O-N 2.79Å; Q498-T502 PolarHBondContact O-OG1 2.99Å; T499-T502 PolarHBondContact O-N 3.45Å; T502-G506 WeakPolarHBondContact CA-O 3.47Å; T502-G506 CarbonylContact O-C 3.57Å; T502-G506 VanDerWaalsContact O-CA 3.3Å; T502-G506 WeakPolarHBondContact O-CA 3.45Å; T502-G506 PolarHBondContact O-N 2.77Å; T502-G506 VanDerWaalsContact O-N 3.08Å
503V60.4Low56.8Low120 Ų12081.7 Ų81.773%0.72743%0.431SS*.Hα-helixtrans-66.7-35.5175.9168.10000112T499 K501T499-V503 HydrophobicContact CG2-CG2 4.48Å; T499-V503 WeakPolarHBondContact O-CB 3.32Å; T499-V503 WeakPolarHBondContact O-CG2 3.31Å; T499-V503 PolarHBondContact O-N 2.97Å; K501-V503 VanDerWaalsContact C-N 3.35Å; K501-V503 PolarHBondContact O-N 3.01Å
504K57.8Low57.6Low127 Ų12772.3 Ų72.355%0.55240%0.396SS*.Hα-helixtrans-85.7-31.3-178.7-82.5-163.9164-174.50115.9Y500 K501Y500-K504 HydrophobicContact CD1-CD 4.36Å; Y500-K504 HydrophobicContact CE1-CD 3.69Å; Y500-K504 WeakPolarHBondContact O-CB 3.17Å; Y500-K504 PolarHBondContact O-N 3.49Å; Y500-K504 VanDerWaalsContact OH-CE 3.27Å; Y500-K504 WeakPolarHBondContact OH-CE 3.46Å; Y500-K504 PolarHBondContact OH-NZ 3.24Å; K501-K504 PolarHBondContact O-N 3.25Å
505H51.4Low58.3Low122 Ų12274.5 Ų74.557%0.56541%0.406SS*.Hα-helixtrans-129.78.6-168.5-55.291.5000113.7K501K501-H505 PolarHBondContact O-N 2.95Å; K501-H505 PolarHBondContact O-ND1 3.21Å
506G48.5Very low59.3Low37 Ų3773.9 Ų73.938%0.38141%0.407SS..  trans72.3178.9-168.800000112.6T502 D508T502-G506 WeakPolarHBondContact CA-O 3.47Å; T502-G506 CarbonylContact O-C 3.57Å; T502-G506 VanDerWaalsContact O-CA 3.3Å; T502-G506 WeakPolarHBondContact O-CA 3.45Å; T502-G506 PolarHBondContact O-N 2.77Å; T502-G506 VanDerWaalsContact O-N 3.08Å; G506-D508 PolarHBondContact O-N 3.39Å; G506-D508 VanDerWaalsContact O-N 3.11Å
507A52.6Low60.4Low79 Ų7969.8 Ų69.865%0.65338%0.381SS*.G310 helixtrans-60.5-24.3-172.300000114.4G509A507-G509 VanDerWaalsContact C-N 3.33Å; A507-G509 PolarHBondContact O-N 2.79Å
508D47.5Very low61.6Low131 Ų13167.9 Ų67.970%0.70137%0.365SS*.G310 helixtrans-80.2-10.2-166.7-57.9-30000114.4G506G506-D508 PolarHBondContact O-N 3.39Å; G506-D508 VanDerWaalsContact O-N 3.11Å
509G44.7Very low63Low17 Ų1771.8 Ų71.818%0.17538%0.378CS..G310 helixtrans-107.61.5-177.800000116.2K501 A507K501-G509 WeakPolarHBondContact CD-O 3.38Å; A507-G509 VanDerWaalsContact C-N 3.33Å; A507-G509 PolarHBondContact O-N 2.79Å
510G43.3Very low64.3Low19 Ų1969.6 Ų69.620%0.19636%0.359CS..SBendtrans-71161.1-173.800000114.7V512G510-V512 PolarHBondContact O-N 3.1Å
511S52.6Low65.6Low27 Ų2763.1 Ų63.119%0.18933%0.334CS..PPolyproline II helixtrans-60.3129.7167540000109.7K494 Q498K494-S511 PolarHBondContact O-OG 3.08Å; Q498-S511 WeakPolarHBondContact CA-OG 3.34Å; Q498-S511 WeakPolarHBondContact CB-OG 3.47Å; Q498-S511 WeakPolarHBondContact CG-OG 3.35Å; Q498-S511 PolarHBondContact NE2-O 3.11Å
512V61.9Low67.2Low20 Ų2061.1 Ų61.112%0.12133%0.327CS..PPolyproline II helixtrans-74.1132.1-172.8-1740000108.7G510 F516G510-V512 PolarHBondContact O-N 3.1Å; V512-F516 VanDerWaalsContact CG1-C 3.44Å; V512-F516 HydrophobicContact CG1-CB 3.27Å
513K74.3Confident68.5Low106 Ų10661.4 Ų61.446%0.46132%0.324SS..PPolyproline II helixtrans-61.7153.6173.7-55.5-175.4176.7-175.90109.9E515 F516 Y517K513-E515 WeakPolarHBondContact CB-OE2 3.46Å; K513-E515 PolarHBondContact O-N 3.1Å; K513-E515 VanDerWaalsContact O-N 3.09Å; K513-F516 HydrophobicContact CB-CD2 4.13Å; K513-F516 HydrophobicContact CD-CD2 4.47Å; K513-F516 HydrophobicContact CD-CE2 4.41Å; K513-F516 HydrophobicContact CG-CD2 4.43Å; K513-F516 PolarHBondContact O-N 3.17Å; K513-Y517 PolarHBondContact O-N 2.87Å
514P79.8Confident69.7Low2 Ų255.8 Ų55.81%0.01329%0.29CS..Hα-helixtrans-50.1-40.4-175.2-26.834000114.6N289 I291 Y490 F516 Y517 G518N289-P514 HydrophobicContact CB-CG 4.49Å; I291-P514 HydrophobicContact CG2-CB 3.87Å; I291-P514 HydrophobicContact CG2-CG 3.91Å; Y490-P514 HydrophobicContact CD1-CG 4.35Å; Y490-P514 HydrophobicContact CG-CG 4.24Å; P514-F516 PolarHBondContact O-N 3.29Å; P514-Y517 PolarHBondContact O-N 3.25Å; P514-Y517 VanDerWaalsContact O-N 3.15Å; P514-G518 PolarHBondContact O-N 2.61Å
515E78.8Confident71.1Confident81 Ų8150 Ų5038%0.37927%0.265SS..Hα-helixtrans-65.7-38.7-176.8-42.680.2-177.100112Q286 K513 R519Q286-E515 PolarHBondContact NE2-O 3.5Å; K513-E515 WeakPolarHBondContact CB-OE2 3.46Å; K513-E515 PolarHBondContact O-N 3.1Å; K513-E515 VanDerWaalsContact O-N 3.09Å; E515-R519 WeakPolarHBondContact O-CB 3.48Å; E515-R519 PolarHBondContact O-N 3.14Å
516F82.2Confident72.8Confident111 Ų11149.4 Ų49.449%0.48726%0.262SS..Hα-helixtrans-79.3-26.1175.2-67.6-71.8000112.3V512 K513 P514 R520V512-F516 VanDerWaalsContact CG1-C 3.44Å; V512-F516 HydrophobicContact CG1-CB 3.27Å; K513-F516 HydrophobicContact CB-CD2 4.13Å; K513-F516 HydrophobicContact CD-CD2 4.47Å; K513-F516 HydrophobicContact CD-CE2 4.41Å; K513-F516 HydrophobicContact CG-CD2 4.43Å; K513-F516 PolarHBondContact O-N 3.17Å; P514-F516 PolarHBondContact O-N 3.29Å; F516-R520 WeakPolarHBondContact O-CD 3.42Å; F516-R520 VanDerWaalsContact O-CG 3.25Å; F516-R520 WeakPolarHBondContact O-CG 3.37Å; F516-R520 PolarHBondContact O-N 3.34Å
517Y84.2Confident74.4Confident10 Ų1052.1 Ų52.14%0.03927%0.265CS..Hα-helixtrans-70.1-52.5179.6-174.7-104.3000110.2I174 I291 D292 Y293 K513 P514 R519 R520 L521I174-Y517 HydrophobicContact CD1-CE2 4.29Å; I174-Y517 HydrophobicContact CG1-CE2 4.22Å; I291-Y517 HydrophobicContact CB-CD1 3.99Å; I291-Y517 HydrophobicContact CB-CE1 4.42Å; I291-Y517 HydrophobicContact CB-CG 4.28Å; I291-Y517 HydrophobicContact CG2-CD1 4.01Å; I291-Y517 HydrophobicContact CG2-CG 4.1Å; D292-Y517 WeakPolarHBondContact CA-OH 3.3Å; D292-Y517 VanDerWaalsContact N-CE1 3.31Å; Y293-Y517 HydrophobicContact CD1-CD1 4.38Å; Y293-Y517 HydrophobicContact CD1-CE1 4.06Å; Y293-Y517 HydrophobicContact CD2-CD1 4.49Å; Y293-Y517 AromaticContact CD2-CE1 3.84Å; Y293-Y517 HydrophobicContact CD2-CE1 3.84Å; Y293-Y517 AromaticContact CE1-CD1 3.83Å; Y293-Y517 HydrophobicContact CE1-CD1 3.83Å; Y293-Y517 AromaticContact CE1-CE1 3.95Å; Y293-Y517 HydrophobicContact CE1-CE1 3.95Å; Y293-Y517 AromaticContact CE2-CD1 3.93Å; Y293-Y517 HydrophobicContact CE2-CD1 3.93Å; Y293-Y517 AromaticContact CE2-CE1 3.7Å; Y293-Y517 HydrophobicContact CE2-CE1 3.7Å; Y293-Y517 HydrophobicContact CG-CE1 4.02Å; Y293-Y517 AromaticContact CZ-CD1 3.58Å; Y293-Y517 AromaticContact CZ-CE1 3.78Å; Y293-Y517 PolarHBondContact O-OH 2.8Å; K513-Y517 PolarHBondContact O-N 2.87Å; P514-Y517 PolarHBondContact O-N 3.25Å; P514-Y517 VanDerWaalsContact O-N 3.15Å; Y517-R519 PolarHBondContact O-N 2.91Å; Y517-R520 PolarHBondContact O-N 2.98Å; Y517-L521 PolarHBondContact O-N 2.91Å
518G85.4Confident75.9Confident0 Ų048.8 Ų48.80%024%0.237CC..Hα-helixtrans-62-43.317800000113.2Y293 P514 R520 L521 L522Y293-G518 WeakPolarHBondContact OH-CA 3.19Å; P514-G518 PolarHBondContact O-N 2.61Å; G518-R520 VanDerWaalsContact C-N 3.3Å; G518-R520 PolarHBondContact O-N 3.14Å; G518-L521 PolarHBondContact O-N 2.84Å; G518-L521 VanDerWaalsContact O-N 3.12Å; G518-L522 PolarHBondContact O-N 3.46Å
519R85.9Confident77.7Confident137 Ų13742.7 Ų42.752%0.51721%0.205SC..Hα-helixtrans-58.6-40.3177.7-170.4-177.9-59.5165.63.6112.7E515 Y517 L521 L522 E523E515-R519 WeakPolarHBondContact O-CB 3.48Å; E515-R519 PolarHBondContact O-N 3.14Å; Y517-R519 PolarHBondContact O-N 2.91Å; R519-L521 VanDerWaalsContact C-N 3.34Å; R519-L521 PolarHBondContact O-N 3.17Å; R519-L522 PolarHBondContact O-N 3.2Å; R519-E523 WeakPolarHBondContact CD-OE1 3.29Å; R519-E523 HydrophobicContact CG-CG 4.33Å; R519-E523 WeakPolarHBondContact CG-OE1 3.35Å; R519-E523 WeakPolarHBondContact O-CB 3.27Å; R519-E523 WeakPolarHBondContact O-CG 3.43Å; R519-E523 PolarHBondContact O-N 2.98Å
520R85.2Confident79.4Confident44 Ų4446.9 Ų46.917%0.16622%0.223CC..Hα-helixtrans-65.2-36.7177.4-73.8172.6-175.1-1581112.6Y176 F516 Y517 G518 F524Y176-R520 VanDerWaalsContact O-CD 3.23Å; Y176-R520 WeakPolarHBondContact O-CD 3.27Å; Y176-R520 WeakPolarHBondContact O-CG 3.34Å; Y176-R520 PolarHBondContact O-NE 3.42Å; F516-R520 WeakPolarHBondContact O-CD 3.42Å; F516-R520 VanDerWaalsContact O-CG 3.25Å; F516-R520 WeakPolarHBondContact O-CG 3.37Å; F516-R520 PolarHBondContact O-N 3.34Å; Y517-R520 PolarHBondContact O-N 2.98Å; G518-R520 VanDerWaalsContact C-N 3.3Å; G518-R520 PolarHBondContact O-N 3.14Å; R520-F524 VanDerWaalsContact O-CB 3.22Å; R520-F524 WeakPolarHBondContact O-CB 3.49Å; R520-F524 PolarHBondContact O-N 3.08Å
521L87.4Confident81.2Confident3 Ų348.3 Ų48.32%0.01622%0.224CC..Hα-helixtrans-65.2-46174.6-175.663.7000110.7I282 Y293 L295 Y517 G518 R519 F524 V525I282-L521 HydrophobicContact CD1-CB 4.44Å; I282-L521 HydrophobicContact CD1-CD2 4.39Å; Y293-L521 HydrophobicContact CD2-CD2 3.88Å; Y293-L521 HydrophobicContact CE2-CD2 3.71Å; L295-L521 HydrophobicContact CB-CD1 4.26Å; Y517-L521 PolarHBondContact O-N 2.91Å; G518-L521 PolarHBondContact O-N 2.84Å; G518-L521 VanDerWaalsContact O-N 3.12Å; R519-L521 VanDerWaalsContact C-N 3.34Å; R519-L521 PolarHBondContact O-N 3.17Å; L521-F524 PolarHBondContact O-N 3.27Å; L521-V525 HydrophobicContact CD1-CG2 4.22Å; L521-V525 HydrophobicContact CG-CG2 4.38Å; L521-V525 WeakPolarHBondContact O-CB 3.14Å; L521-V525 WeakPolarHBondContact O-CG2 2.99Å; L521-V525 PolarHBondContact O-N 2.99Å
522L88.8Confident82.7Confident34 Ų3449.4 Ų49.418%0.17823%0.226CC..Hα-helixtrans-59.9-52.6177.4-175.868.1000112L275 L278 E279 I282 G518 R519 F524 V525 E526L275-L522 HydrophobicContact CD2-CD1 4.28Å; L278-L522 HydrophobicContact CD2-CD1 4.06Å; L278-L522 HydrophobicContact CG-CD1 4.14Å; E279-L522 HydrophobicContact CG-CD1 3.79Å; E279-L522 HydrophobicContact CG-CD2 3.6Å; E279-L522 HydrophobicContact CG-CG 4.36Å; I282-L522 HydrophobicContact CD1-CB 4.02Å; G518-L522 PolarHBondContact O-N 3.46Å; R519-L522 PolarHBondContact O-N 3.2Å; L522-F524 PolarHBondContact O-N 3.4Å; L522-V525 PolarHBondContact O-N 3.32Å; L522-E526 PolarHBondContact O-N 2.77Å
523E86.6Confident83.8Confident62 Ų6251 Ų5129%0.2923%0.232SC..Hα-helixtrans-56.9-36.7176.9-74.6174.6-161.200112R519 Q527R519-E523 WeakPolarHBondContact CD-OE1 3.29Å; R519-E523 HydrophobicContact CG-CG 4.33Å; R519-E523 WeakPolarHBondContact CG-OE1 3.35Å; R519-E523 WeakPolarHBondContact O-CB 3.27Å; R519-E523 WeakPolarHBondContact O-CG 3.43Å; R519-E523 PolarHBondContact O-N 2.98Å; E523-Q527 WeakPolarHBondContact O-CG 3.35Å; E523-Q527 PolarHBondContact O-NE2 2.97Å
524F84.5Confident84.4Confident3 Ų347.8 Ų47.81%0.01322%0.218CC..Hα-helixtrans-70.6-45.6177.4177.5-110.7000111.8L171 N173 L258 R520 L521 L522 Q527 C528L171-F524 HydrophobicContact CB-CE1 4.17Å; L171-F524 HydrophobicContact CD1-CE1 4.1Å; L171-F524 HydrophobicContact CD2-CE1 4.16Å; L171-F524 HydrophobicContact CG-CE1 4.36Å; N173-F524 HydrophobicContact CB-CD1 3.67Å; N173-F524 HydrophobicContact CB-CD2 4.07Å; N173-F524 HydrophobicContact CB-CE1 3.74Å; N173-F524 HydrophobicContact CB-CE2 4.15Å; N173-F524 HydrophobicContact CB-CG 3.84Å; N173-F524 HydrophobicContact CB-CZ 3.99Å; N173-F524 WeakPolarHBondContact ND2-CE2 3.36Å; N173-F524 VanDerWaalsContact ND2-CZ 3.25Å; N173-F524 WeakPolarHBondContact ND2-CZ 3.2Å; L258-F524 HydrophobicContact CD1-CE2 4.26Å; L258-F524 HydrophobicContact CD2-CE2 4.12Å; L258-F524 HydrophobicContact CG-CE2 4.22Å; R520-F524 VanDerWaalsContact O-CB 3.22Å; R520-F524 WeakPolarHBondContact O-CB 3.49Å; R520-F524 PolarHBondContact O-N 3.08Å; L521-F524 PolarHBondContact O-N 3.27Å; L522-F524 PolarHBondContact O-N 3.4Å; F524-Q527 PolarHBondContact O-N 2.85Å; F524-C528 PolarHBondContact O-N 3.48Å; F524-C528 PolarHBondContact O-SG 3.33Å
525V87Confident84.7Confident4 Ų450.6 Ų50.62%0.02423%0.231CC..Hα-helixtrans-65.4-42.2-179.2171.80000111.5L275 L278 L295 L521 L522 Q527 C528 I529L275-V525 HydrophobicContact CD2-CG1 4.37Å; L278-V525 HydrophobicContact CD2-CB 3.96Å; L278-V525 HydrophobicContact CD2-CG1 3.69Å; L278-V525 HydrophobicContact CD2-CG2 4.13Å; L295-V525 HydrophobicContact CD2-CG1 4.24Å; L295-V525 HydrophobicContact CD2-CG2 3.54Å; L521-V525 HydrophobicContact CD1-CG2 4.22Å; L521-V525 HydrophobicContact CG-CG2 4.38Å; L521-V525 WeakPolarHBondContact O-CB 3.14Å; L521-V525 WeakPolarHBondContact O-CG2 2.99Å; L521-V525 PolarHBondContact O-N 2.99Å; L522-V525 PolarHBondContact O-N 3.32Å; V525-Q527 PolarHBondContact O-N 3.17Å; V525-C528 WeakPolarHBondContact O-CB 3.17Å; V525-C528 PolarHBondContact O-N 2.87Å; V525-I529 HydrophobicContact CG1-CD1 3.91Å; V525-I529 VanDerWaalsContact O-CD1 3.32Å; V525-I529 WeakPolarHBondContact O-CD1 3.22Å; V525-I529 WeakPolarHBondContact O-CG1 3.37Å; V525-I529 PolarHBondContact O-N 3.47Å
526E87.2Confident85.1Confident110 Ų11048.6 Ų48.651%0.51422%0.221SC..Hα-helixtrans-54.6-38.2175.5-173.3-178.3-162.400112.2L275 L522L275-E526 HydrophobicContact CD1-CG 4.42Å; L275-E526 HydrophobicContact CD2-CB 4.42Å; L522-E526 PolarHBondContact O-N 2.77Å
527Q83.1Confident85.3Confident95 Ų9544.1 Ų44.144%0.44420%0.202SC..Hα-helixtrans-80.2-15.1178.2-67.3169.556.500114.4Y176 E523 F524 V525 I529Y176-Q527 PolarHBondContact OH-OE1 2.71Å; E523-Q527 WeakPolarHBondContact O-CG 3.35Å; E523-Q527 PolarHBondContact O-NE2 2.97Å; F524-Q527 PolarHBondContact O-N 2.85Å; V525-Q527 PolarHBondContact O-N 3.17Å; Q527-I529 VanDerWaalsContact C-N 3.32Å
528C83.4Confident85.4Confident8 Ų846.8 Ų46.85%0.05422%0.215CC..Hα-helixtrans-85.2-8.2177.1-66.40000112.7F257 K263 M264 F524 V525F257-C528 HydrophobicContact CE1-CB 3.6Å; F257-C528 WeakPolarHBondContact CE1-SG 3.5Å; F257-C528 HydrophobicContact CZ-CB 3.88Å; K263-C528 WeakPolarHBondContact CA-O 2.8Å; M264-C528 PolarHBondContact N-O 3.24Å; F524-C528 PolarHBondContact O-N 3.48Å; F524-C528 PolarHBondContact O-SG 3.33Å; V525-C528 WeakPolarHBondContact O-CB 3.17Å; V525-C528 PolarHBondContact O-N 2.87Å
529I84.7Confident85.4Confident4 Ų450.7 Ų50.72%0.02123%0.233CC..BIsolated β-bridgetrans-111.9121.6-177.3-51.3151000108.7M264 I266 K271 M274 L275 V525 Q527M264-I529 HydrophobicContact CB-CG1 4.31Å; M264-I529 WeakPolarHBondContact O-CA 3.34Å; M264-I529 WeakPolarHBondContact O-CG2 3.19Å; M264-I529 HydrophobicContact SD-CG1 4.4Å; I266-I529 HydrophobicContact CB-CG2 4.06Å; I266-I529 HydrophobicContact CD1-CG2 4.4Å; I266-I529 HydrophobicContact CG1-CG2 4.47Å; K271-I529 HydrophobicContact CB-CG2 4.38Å; K271-I529 HydrophobicContact CD-CB 4.43Å; K271-I529 HydrophobicContact CD-CG2 3.67Å; K271-I529 HydrophobicContact CG-CG2 3.85Å; K271-I529 PolarHBondContact NZ-O 2.74Å; M274-I529 HydrophobicContact CE-CD1 3.26Å; M274-I529 HydrophobicContact CE-CG1 3.93Å; L275-I529 HydrophobicContact CD2-CD1 4.11Å; L275-I529 HydrophobicContact CG-CD1 4.43Å; V525-I529 HydrophobicContact CG1-CD1 3.91Å; V525-I529 VanDerWaalsContact O-CD1 3.32Å; V525-I529 WeakPolarHBondContact O-CD1 3.22Å; V525-I529 WeakPolarHBondContact O-CG1 3.37Å; V525-I529 PolarHBondContact O-N 3.47Å; Q527-I529 VanDerWaalsContact C-N 3.32Å
530D80.5Confident85.3Confident104 Ų10442.8 Ų42.856%0.55621%0.207SC*.  trans-84.40164.5-92.8-1.4000109K263 M264 I266 K271K263-D530 HydrophobicContact CD-CB 4.2Å; K263-D530 WeakPolarHBondContact CD-OD1 3.37Å; K263-D530 WeakPolarHBondContact CD-OD2 3.46Å; K263-D530 WeakPolarHBondContact CE-OD2 3.31Å; K263-D530 IonicContact NZ-OD1 3.63Å; K263-D530 PolarHBondContact NZ-OD1 3.49Å; K263-D530 IonicContact NZ-OD2 3.01Å; K263-D530 PolarHBondContact NZ-OD2 3.27Å; M264-D530 PolarHBondContact O-N 2.86Å; I266-D530 PolarHBondContact N-O 3.02Å; K271-D530 PolarHBondContact NZ-OXT 3.35Å

Retrieved 530 of 530 residues in 148.6 ms (Link to these results)

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