A0A087YIB4_POEFO Loading...

Platelet-derived growth factor receptor alpha

Tyrosine-protein kinase that acts as a cell-surface receptor for PDGFA, PDGFB and PDGFC and plays an essential role in the regulation of embryonic development, cell proliferation, survival and chemotaxis. Depending on the context, promotes or inhibits cell proliferation and cell migration. Plays an important role in the differentiation of bone marrow-derived mesenchymal stem cells. Required for normal skeleton development.

AlphaFold DB , UniProt , Accession A0A087YIB4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,050 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
1P75.8Confident73.7Confident18 Ų1877.8 Ų77.812%0.11741%0.414CS..  0160.5018.4-28.9000108.2C22 R23 L28 C67 Y69 S79 S81P1-C22 VanDerWaalsContact CB-SG 3.51Å; P1-R23 CarbonylContact C-O 3.52Å; P1-R23 WeakPolarHBondContact CA-O 3.26Å; P1-L28 HydrophobicContact CB-CD2 3.87Å; P1-C67 VanDerWaalsContact CG-O 3.27Å; P1-C67 WeakPolarHBondContact CG-O 3.33Å; P1-Y69 HydrophobicContact CG-CE2 4.47Å; P1-S79 WeakPolarHBondContact CD-O 3.38Å; P1-S81 PolarHBondContact O-OG 2.8Å
2I79Confident73.4Confident108 Ų10872 Ų7255%0.55438%0.384SS*.EExtended strand (participates in β ladder)trans-119.5125.6170.2-62170.2000106.3C22 R23I2-C22 CarbonylContact O-C 3.57Å; I2-C22 WeakPolarHBondContact O-CA 3.44Å; I2-R23 PolarHBondContact N-O 3.2Å; I2-R23 PolarHBondContact O-N 3.3Å
3L81.3Confident72.9Confident7 Ų772.8 Ų72.84%0.03740%0.395CS..EExtended strand (participates in β ladder)trans-98.7143-179.6-157.9102.6000110C22 W30 C67 I83L3-C22 HydrophobicContact CD1-CB 4.21Å; L3-W30 HydrophobicContact CD1-CH2 3.31Å; L3-W30 HydrophobicContact CD1-CZ2 4.39Å; L3-W30 HydrophobicContact CD1-CZ3 3.46Å; L3-W30 VanDerWaalsContact CD1-CZ3 3.46Å; L3-W30 HydrophobicContact CG-CH2 4.2Å; L3-C67 HydrophobicContact CD1-CB 3.57Å; L3-I83 HydrophobicContact CD2-CB 3.33Å; L3-I83 HydrophobicContact CD2-CD1 3.87Å; L3-I83 HydrophobicContact CD2-CG1 4.24Å; L3-I83 HydrophobicContact CD2-CG2 3.28Å
4L78.8Confident72.1Confident64 Ų6470.9 Ų70.934%0.33539%0.385SS..EExtended strand (participates in β ladder)trans-130127179.7-68.1168.7000109.3T21L4-T21 WeakPolarHBondContact CB-O 3.41Å; L4-T21 PolarHBondContact N-O 3Å; L4-T21 PolarHBondContact O-N 3.31Å
5P74.6Confident71.9Confident48 Ų4873.9 Ų73.931%0.31240%0.395SS..SBendcis-65148.9-0.229.4-34.2000112.9E7 V10 I83P5-E7 HydrophobicContact CB-CG 4.36Å; P5-E7 PolarHBondContact O-N 2.77Å; P5-V10 HydrophobicContact CG-CG2 3.87Å; P5-I83 HydrophobicContact CG-CD1 4.07Å; P5-I83 WeakPolarHBondContact O-CD1 3.39Å
6D73.1Confident72.2Confident140 Ų14072.3 Ų72.375%0.74939%0.389SS*.  trans-85.364.5178.8-170.328.3000109
7E73.4Confident72.8Confident112 Ų11273.6 Ų73.652%0.52340%0.402SS..  trans-126147178.9-66.1-176.9174.700108.4P5 E9 V10 I83P5-E7 HydrophobicContact CB-CG 4.36Å; P5-E7 PolarHBondContact O-N 2.77Å; E7-E9 VanDerWaalsContact C-N 3.31Å; E7-V10 HydrophobicContact CB-CG2 4.26Å; E7-I83 WeakPolarHBondContact O-CD1 3.25Å; E7-I83 WeakPolarHBondContact O-CG1 3.48Å
8D65.3Low73.3Confident148 Ų14870.7 Ų70.779%0.79138%0.384SS*.SBendtrans-75-25.3177.4-65.3-37.4000111.7D84D8-D84 PolarHBondContact O-N 2.79Å; D8-D84 VanDerWaalsContact O-N 3.09Å
9E68.2Low73.9Confident99 Ų9971.5 Ų71.546%0.46339%0.392SS..EExtended strand (participates in β ladder)trans-146.9134.3-176-175.3179.8168.500111E7 D84E7-E9 VanDerWaalsContact C-N 3.31Å; E9-D84 CarbonylContact C-O 3.56Å; E9-D84 WeakPolarHBondContact CA-O 3.42Å
10V72.2Confident74.4Confident25 Ų2568.1 Ų68.115%0.15237%0.373CS..EExtended strand (participates in β ladder)trans-126.8123.5176.2-179.10000110.1P5 E7 V12 I83 D84 I85 F86P5-V10 HydrophobicContact CG-CG2 3.87Å; E7-V10 HydrophobicContact CB-CG2 4.26Å; V10-V12 HydrophobicContact CG1-CG2 3.89Å; V10-I83 HydrophobicContact CG2-CD1 3.43Å; V10-I83 VanDerWaalsContact CG2-CD1 3.43Å; V10-I83 HydrophobicContact CG2-CG1 3.96Å; V10-D84 PolarHBondContact N-O 2.9Å; V10-I85 WeakPolarHBondContact O-CA 3.26Å; V10-F86 PolarHBondContact O-N 2.04Å
11V69.4Low74.9Confident87 Ų8766.3 Ų66.353%0.52736%0.364SS..EExtended strand (participates in β ladder)trans-94.7114.8175.3-177.20000109.5F86 P88V11-F86 WeakPolarHBondContact CA-O 3.26Å; V11-P88 HydrophobicContact CG1-CG 3.95Å
12V70.2Confident75.4Confident8 Ų865.4 Ų65.45%0.04836%0.359CS..  trans-107.5124-177.9-178.10000110.1V10 T16 F18 A57 I85 F86 Y87V10-V12 HydrophobicContact CG1-CG2 3.89Å; V12-T16 WeakPolarHBondContact CG1-OG1 3.37Å; V12-F18 HydrophobicContact CG1-CB 4.19Å; V12-F18 HydrophobicContact CG1-CD1 4.03Å; V12-F18 HydrophobicContact CG1-CG 4.39Å; V12-F18 HydrophobicContact CG2-CB 4.13Å; V12-F18 HydrophobicContact CG2-CD1 4.38Å; V12-F18 HydrophobicContact CG2-CG 4.17Å; V12-A57 HydrophobicContact CG1-CB 3.99Å; V12-I85 HydrophobicContact CB-CG2 4.41Å; V12-I85 HydrophobicContact CG2-CG2 3.88Å; V12-F86 PolarHBondContact N-O 3.17Å; V12-Y87 HydrophobicContact CB-CD1 4.35Å; V12-Y87 HydrophobicContact CB-CE1 3.74Å; V12-Y87 HydrophobicContact CG1-CE1 3.95Å; V12-Y87 WeakPolarHBondContact O-CD1 3.37Å
13P66.6Low75.7Confident82 Ų8265.8 Ų65.853%0.53235%0.353SS..  trans-64.8146.2174.8-19.431000112.8T16P13-T16 HydrophobicContact CB-CG2 3.89Å; P13-T16 HydrophobicContact CG-CG2 4.45Å; P13-T16 WeakPolarHBondContact O-CB 3.46Å; P13-T16 PolarHBondContact O-N 3.05Å; P13-T16 PolarHBondContact O-OG1 3.18Å
14L62.2Low75.7Confident47 Ų4765.6 Ų65.625%0.24635%0.353CS..THydrogen-bonded Turntrans-53.7140.4177.3-97.8136.1000112.8T16 P59 P90L14-T16 PolarHBondContact O-N 2.71Å; L14-P59 HydrophobicContact CD2-CG 4.3Å; L14-P90 HydrophobicContact CD1-CG 4.28Å
15H69.4Low75.5Confident116 Ų11664.9 Ų64.954%0.53736%0.361SS..THydrogen-bonded Turntrans58.820.7-179.2-51.5-79.1000115E56 A57H15-E56 HydrophobicContact CB-CG 4.14Å; H15-E56 IonicContact CE1-OE1 3.84Å; H15-E56 IonicContact CG-OE1 3.02Å; H15-E56 IonicContact ND1-OE1 2.64Å; H15-E56 PolarHBondContact ND1-OE1 2.72Å; H15-A57 PolarHBondContact N-O 2.63Å
16T76.5Confident75.5Confident48 Ų4865.6 Ų65.629%0.29437%0.365SS..  trans-101.4147.2172.866.40000111.6V12 P13 L14 A57V12-T16 WeakPolarHBondContact CG1-OG1 3.37Å; P13-T16 HydrophobicContact CB-CG2 3.89Å; P13-T16 HydrophobicContact CG-CG2 4.45Å; P13-T16 WeakPolarHBondContact O-CB 3.46Å; P13-T16 PolarHBondContact O-N 3.05Å; P13-T16 PolarHBondContact O-OG1 3.18Å; L14-T16 PolarHBondContact O-N 2.71Å; T16-A57 WeakPolarHBondContact O-CB 3.45Å; T16-A57 PolarHBondContact O-N 3.44Å
17P81.6Confident75.7Confident94 Ų9464.7 Ų64.761%0.6135%0.354SS*.  trans-77.9143.5176.530.3-33.9000110.9V54P17-V54 CarbonylContact C-O 3.59Å; P17-V54 WeakPolarHBondContact CA-O 3.29Å; P17-V54 WeakPolarHBondContact CB-O 3.27Å
18F82.8Confident76Confident21 Ų2159.7 Ų59.79%0.09233%0.331CS..EExtended strand (participates in β ladder)trans-137.9155.2169.675.9-83.8000111V12 L20 V54 I85 Y87V12-F18 HydrophobicContact CG1-CB 4.19Å; V12-F18 HydrophobicContact CG1-CD1 4.03Å; V12-F18 HydrophobicContact CG1-CG 4.39Å; V12-F18 HydrophobicContact CG2-CB 4.13Å; V12-F18 HydrophobicContact CG2-CD1 4.38Å; V12-F18 HydrophobicContact CG2-CG 4.17Å; F18-L20 HydrophobicContact CD2-CG 4.27Å; F18-L20 HydrophobicContact CE2-CD1 4.47Å; F18-L20 HydrophobicContact CE2-CG 4.23Å; F18-V54 HydrophobicContact CD1-CB 3.83Å; F18-V54 HydrophobicContact CD1-CG1 4.31Å; F18-V54 HydrophobicContact CD1-CG2 4.4Å; F18-V54 HydrophobicContact CE1-CB 3.37Å; F18-V54 HydrophobicContact CE1-CG1 3.75Å; F18-V54 HydrophobicContact CE1-CG2 3.55Å; F18-V54 HydrophobicContact CE2-CG2 4.25Å; F18-V54 HydrophobicContact CZ-CB 3.83Å; F18-V54 HydrophobicContact CZ-CG2 3.46Å; F18-V54 VanDerWaalsContact CZ-CG2 3.46Å; F18-V54 PolarHBondContact N-O 2.86Å; F18-V54 PolarHBondContact O-N 3.45Å; F18-I85 HydrophobicContact CD2-CD1 3.74Å; F18-I85 HydrophobicContact CE2-CD1 3.29Å; F18-I85 HydrophobicContact CZ-CD1 3.95Å; F18-Y87 WeakPolarHBondContact CE1-OH 3.39Å; F18-Y87 WeakPolarHBondContact CZ-OH 3.35Å
19T83.5Confident76.7Confident87 Ų8756.7 Ų56.753%0.53431%0.313SS..EExtended strand (participates in β ladder)trans-136.1127.1-179.237.90000109.8I52 A53T19-I52 WeakPolarHBondContact CA-O 3.38Å; T19-A53 HydrophobicContact CG2-CB 3.58Å
20L84.6Confident77.2Confident3 Ų352.6 Ų52.62%0.01629%0.293CS..EExtended strand (participates in β ladder)trans-108.5133170.5-62.2-179.6000109.3F18 W30 T51 I52 Y65 I83 I85F18-L20 HydrophobicContact CD2-CG 4.27Å; F18-L20 HydrophobicContact CE2-CD1 4.47Å; F18-L20 HydrophobicContact CE2-CG 4.23Å; L20-W30 HydrophobicContact CB-CH2 3.71Å; L20-W30 HydrophobicContact CB-CZ2 4.3Å; L20-W30 HydrophobicContact CB-CZ3 4.34Å; L20-W30 HydrophobicContact CD1-CH2 4.45Å; L20-W30 HydrophobicContact CD1-CZ3 4.31Å; L20-T51 WeakPolarHBondContact O-CA 3.35Å; L20-T51 WeakPolarHBondContact O-CG2 3.43Å; L20-I52 HydrophobicContact CB-CD1 4.08Å; L20-I52 HydrophobicContact CB-CG1 3.73Å; L20-I52 HydrophobicContact CD1-CD1 4.01Å; L20-I52 HydrophobicContact CG-CD1 4.44Å; L20-I52 HydrophobicContact CG-CG1 4.47Å; L20-I52 PolarHBondContact N-O 2.84Å; L20-I52 PolarHBondContact O-N 2.87Å; L20-Y65 HydrophobicContact CD1-CD1 3.81Å; L20-Y65 HydrophobicContact CD1-CD2 4.34Å; L20-Y65 HydrophobicContact CD1-CG 3.68Å; L20-I83 HydrophobicContact CD1-CG2 3.67Å; L20-I83 HydrophobicContact CD2-CD1 4.32Å; L20-I83 HydrophobicContact CD2-CG2 4.29Å; L20-I85 HydrophobicContact CD1-CD1 3.59Å; L20-I85 HydrophobicContact CD1-CG1 4.47Å; L20-I85 HydrophobicContact CD2-CD1 4.23Å; L20-I85 HydrophobicContact CG-CD1 4.06Å
21T85.1Confident77.4Confident30 Ų3057.2 Ų57.218%0.18431%0.313CS..EExtended strand (participates in β ladder)trans-122.1131.5179.5-57.10000109.7L4 R23 V49L4-T21 WeakPolarHBondContact CB-O 3.41Å; L4-T21 PolarHBondContact N-O 3Å; L4-T21 PolarHBondContact O-N 3.31Å; T21-R23 HydrophobicContact CG2-CG 4.48Å; T21-V49 HydrophobicContact CG2-CG1 3.53Å
22C85.3Confident77.7Confident0 Ų054.7 Ų54.70%030%0.298CS..EExtended strand (participates in β ladder)trans-119.4139.8176.2-172.20000111.4P1 I2 L3 L28 W30 V49 T50 C67P1-C22 VanDerWaalsContact CB-SG 3.51Å; I2-C22 CarbonylContact O-C 3.57Å; I2-C22 WeakPolarHBondContact O-CA 3.44Å; L3-C22 HydrophobicContact CD1-CB 4.21Å; C22-L28 HydrophobicContact CB-CD1 4.23Å; C22-W30 HydrophobicContact CB-CH2 3.88Å; C22-W30 HydrophobicContact CB-CZ2 3.43Å; C22-W30 VanDerWaalsContact CB-CZ2 3.43Å; C22-V49 CarbonylContact O-C 3.55Å; C22-V49 VanDerWaalsContact O-CA 3.3Å; C22-V49 WeakPolarHBondContact O-CA 3.31Å; C22-T50 HydrophobicContact CB-CG2 4.02Å; C22-T50 PolarHBondContact N-O 2.94Å; C22-T50 PolarHBondContact O-N 2.8Å; C22-C67 HydrophobicContact CB-CB 3.66Å; C22-C67 WeakPolarHBondContact CB-SG 3.39Å; C22-C67 WeakPolarHBondContact SG-CB 3.44Å; C22-C67 CovalentContact SG-SG 2.01Å; C22-C67 PolarHBondContact SG-SG 3.16Å
23R85.9Confident77.4Confident115 Ų11556.9 Ų56.943%0.43431%0.312SS..EExtended strand (participates in β ladder)trans-127.7141.6-177.4-54.6-170.4175.9173.4-1111.8P1 I2 T21 F48 V49P1-R23 CarbonylContact C-O 3.52Å; P1-R23 WeakPolarHBondContact CA-O 3.26Å; I2-R23 PolarHBondContact N-O 3.2Å; I2-R23 PolarHBondContact O-N 3.3Å; T21-R23 HydrophobicContact CG2-CG 4.48Å; R23-F48 CarbonylContact C-O 3.54Å; R23-F48 WeakPolarHBondContact CA-O 3.29Å; R23-V49 HydrophobicContact CG-CG1 4.12Å; R23-V49 HydrophobicContact CG-CG2 3.96Å
24G80.6Confident77.5Confident4 Ų458.3 Ų58.34%0.04131%0.308CS..EExtended strand (participates in β ladder)trans-163158.4-175.100000113.7V26 F48G24-V26 PolarHBondContact O-N 3.3Å; G24-F48 PolarHBondContact N-O 3.39Å; G24-F48 PolarHBondContact O-N 3.14Å
25G74.5Confident77.5Confident48 Ų4863.8 Ų63.850%0.49534%0.338SS..SBendtrans-76.5-8.2179.200000114.9
26V75.8Confident77.6Confident64 Ų6459.8 Ų59.839%0.38832%0.32SS..SBendtrans-136.6161.5179.9-170.60000107.5G24 L28 Y69G24-V26 PolarHBondContact O-N 3.3Å; V26-L28 PolarHBondContact O-N 2.87Å; V26-Y69 HydrophobicContact CB-CD1 3.9Å; V26-Y69 HydrophobicContact CB-CE1 4.3Å
27K76.3Confident77.2Confident120 Ų12065.1 Ų65.152%0.52235%0.346SS..  trans-49.9134.4177.6-168175.4-176.7-176.90110.8F48 N70K27-F48 HydrophobicContact CB-CD1 4.44Å; K27-N70 HydrophobicContact CB-CB 4.35Å; K27-N70 HydrophobicContact CG-CB 4.39Å; K27-N70 WeakPolarHBondContact O-CB 3.4Å; K27-N70 PolarHBondContact O-N 3.05Å
28L80.9Confident76.9Confident8 Ų864.4 Ų64.44%0.04233%0.334CS..EExtended strand (participates in β ladder)trans-107.6160.4-175.9-63.6170.2000111P1 C22 V26 F48 T50 L68 Y69P1-L28 HydrophobicContact CB-CD2 3.87Å; C22-L28 HydrophobicContact CB-CD1 4.23Å; V26-L28 PolarHBondContact O-N 2.87Å; L28-F48 WeakPolarHBondContact CD1-O 3.44Å; L28-T50 HydrophobicContact CB-CG2 3.55Å; L28-T50 HydrophobicContact CD1-CG2 3.91Å; L28-T50 HydrophobicContact CG-CG2 4.41Å; L28-L68 CarbonylContact C-O 3.58Å; L28-L68 VanDerWaalsContact CA-O 3.25Å; L28-L68 WeakPolarHBondContact CA-O 3.11Å; L28-L68 WeakPolarHBondContact CD2-O 3.47Å; L28-Y69 HydrophobicContact CD2-CD1 3.5Å; L28-Y69 HydrophobicContact CD2-CE1 3.69Å; L28-Y69 HydrophobicContact CD2-CG 4.33Å
29M78.7Confident76.5Confident85 Ų8570.2 Ų70.242%0.41936%0.361SS..EExtended strand (participates in β ladder)trans-139.2145.6172.7-176-174.9-6200108.7L68 N70M29-L68 PolarHBondContact N-O 3.32Å; M29-L68 PolarHBondContact O-N 3.28Å; M29-N70 HydrophobicContact CB-CB 4.43Å
30W78.8Confident76.1Confident12 Ų1270 Ų705%0.04536%0.363CS..EExtended strand (participates in β ladder)trans-97.9143.8170.3-68.293.1000111.9L3 L20 C22 T32 E38 T50 I52 V66 C67L3-W30 HydrophobicContact CD1-CH2 3.31Å; L3-W30 HydrophobicContact CD1-CZ2 4.39Å; L3-W30 HydrophobicContact CD1-CZ3 3.46Å; L3-W30 VanDerWaalsContact CD1-CZ3 3.46Å; L3-W30 HydrophobicContact CG-CH2 4.2Å; L20-W30 HydrophobicContact CB-CH2 3.71Å; L20-W30 HydrophobicContact CB-CZ2 4.3Å; L20-W30 HydrophobicContact CB-CZ3 4.34Å; L20-W30 HydrophobicContact CD1-CH2 4.45Å; L20-W30 HydrophobicContact CD1-CZ3 4.31Å; C22-W30 HydrophobicContact CB-CH2 3.88Å; C22-W30 HydrophobicContact CB-CZ2 3.43Å; C22-W30 VanDerWaalsContact CB-CZ2 3.43Å; W30-T32 HydrophobicContact CB-CG2 3.85Å; W30-E38 HydrophobicContact CB-CG 4.38Å; W30-E38 WeakPolarHBondContact CB-OE1 3.46Å; W30-E38 HydrophobicContact CG-CG 4.45Å; W30-E38 PolarHBondContact N-OE1 3.05Å; W30-T50 VanDerWaalsContact CD1-OG1 3.25Å; W30-T50 PolarHBondContact NE1-OG1 2.89Å; W30-T50 VanDerWaalsContact NE1-OG1 3.07Å; W30-I52 HydrophobicContact CD2-CD1 4.21Å; W30-I52 HydrophobicContact CD2-CG2 4.28Å; W30-I52 HydrophobicContact CE3-CD1 4.06Å; W30-I52 HydrophobicContact CG-CG2 4.05Å; W30-I52 HydrophobicContact CH2-CD1 4.44Å; W30-I52 HydrophobicContact CH2-CG1 4.49Å; W30-I52 HydrophobicContact CZ2-CG1 4.29Å; W30-I52 HydrophobicContact CZ3-CD1 4.17Å; W30-V66 WeakPolarHBondContact CA-O 3.46Å; W30-C67 HydrophobicContact CD2-CB 4.49Å; W30-C67 HydrophobicContact CE3-CB 4.17Å; W30-C67 HydrophobicContact CH2-CB 4.35Å; W30-C67 HydrophobicContact CZ3-CB 4.11Å
31E76.6Confident75.7Confident122 Ų12275.7 Ų75.757%0.5739%0.39SS*.EExtended strand (participates in β ladder)trans-113.2116.6162.3-163.6174.7-172.800106.2V66 L68E31-V66 HydrophobicContact CB-CB 4.13Å; E31-V66 PolarHBondContact N-O 3.44Å; E31-V66 PolarHBondContact O-N 2.75Å; E31-L68 HydrophobicContact CB-CD1 4.28Å
32T75.3Confident75.1Confident34 Ų3480.3 Ų80.321%0.20941%0.409CS..  trans-131156-172.764.90000110.8W30 Y34 I52 Y65W30-T32 HydrophobicContact CB-CG2 3.85Å; T32-Y34 PolarHBondContact O-N 2.65Å; T32-Y34 PolarHBondContact OG1-O 2.79Å; T32-I52 HydrophobicContact CG2-CD1 3.97Å; T32-Y65 HydrophobicContact CG2-CD1 3.66Å; T32-Y65 HydrophobicContact CG2-CE1 4.1Å
33P64.9Low74.3Confident54 Ų5483 Ų8335%0.35142%0.424SS..SBendtrans-68.2-16-175.8-19.633.6000114.4Y64 Y65P33-Y64 VanDerWaalsContact CD-O 3.3Å; P33-Y64 WeakPolarHBondContact CD-O 3.37Å; P33-Y64 WeakPolarHBondContact CG-O 3.24Å; P33-Y65 HydrophobicContact CG-CE2 4.07Å
34Y67.5Low73.4Confident112 Ų11285.7 Ų85.744%0.43945%0.447SS..SBendtrans-146.4142.7-178.7-169.4-91.2000109T32 M36T32-Y34 PolarHBondContact O-N 2.65Å; T32-Y34 PolarHBondContact OG1-O 2.79Å; Y34-M36 WeakPolarHBondContact O-CG 3.33Å; Y34-M36 PolarHBondContact O-N 2.9Å
35D63.3Low72.6Confident162 Ų16289.1 Ų89.187%0.86647%0.47SS*.  trans-58.7110.5-178.6-87.2-24.2000111.5
36M70.5Confident72.1Confident33 Ų3389 Ų8916%0.16347%0.468CS..  trans-113.5150.6-179.4-72.4180-134.600111.7Y34 E38 I52 V54 Y65Y34-M36 WeakPolarHBondContact O-CG 3.33Å; Y34-M36 PolarHBondContact O-N 2.9Å; M36-E38 PolarHBondContact O-N 3.34Å; M36-I52 HydrophobicContact SD-CD1 4.46Å; M36-V54 HydrophobicContact SD-CG2 3.7Å; M36-Y65 HydrophobicContact CE-CE1 3.45Å; M36-Y65 VanDerWaalsContact CE-CE1 3.45Å; M36-Y65 VanDerWaalsContact CE-OH 3.3Å; M36-Y65 WeakPolarHBondContact CE-OH 3.16Å; M36-Y65 HydrophobicContact SD-CE1 3.93Å
37L68.2Low72.2Confident160 Ų16089.3 Ų89.384%0.83847%0.468SS*.  trans-75.9106.9174.5-82.6151.5000109.9
38E75.8Confident72.3Confident78 Ų7886.8 Ų86.836%0.36446%0.457SS..EExtended strand (participates in β ladder)trans-79.9133.7173.8-61.6-177.2-156.400111.7W30 M36 I52W30-E38 HydrophobicContact CB-CG 4.38Å; W30-E38 WeakPolarHBondContact CB-OE1 3.46Å; W30-E38 HydrophobicContact CG-CG 4.45Å; W30-E38 PolarHBondContact N-OE1 3.05Å; M36-E38 PolarHBondContact O-N 3.34Å; E38-I52 HydrophobicContact CG-CG2 3.98Å
39Q75.1Confident72.5Confident143 Ų14387 Ų8767%0.66846%0.458SS*.EExtended strand (participates in β ladder)trans-108.6107.8169.8-67.3-1775.500109.6T50 T51Q39-T50 CarbonylContact O-C 3.52Å; Q39-T50 WeakPolarHBondContact O-CA 3.48Å; Q39-T51 PolarHBondContact N-O 2.8Å; Q39-T51 PolarHBondContact O-N 3.19Å
40S74.3Confident72.7Confident82 Ų8283 Ų8357%0.57344%0.439SS*.EExtended strand (participates in β ladder)trans-99.8129.3176.2-68.10000111.3V49S40-V49 CarbonylContact C-O 3.51Å; S40-V49 WeakPolarHBondContact CA-O 3.45Å
41Q77.5Confident72.9Confident123 Ų12384.1 Ų84.158%0.57545%0.447SS*.EExtended strand (participates in β ladder)trans-130.6155.5168.979.4173.245.700111.2V49Q41-V49 HydrophobicContact CG-CB 4.14Å; Q41-V49 PolarHBondContact N-O 3.23Å; Q41-V49 PolarHBondContact O-N 3.04Å
42E71.6Confident73.3Confident127 Ų12778.3 Ų78.359%0.59342%0.42SS*.EExtended strand (participates in β ladder)trans-95.6121.4166.4-160.817317800107.8F48E42-F48 HydrophobicContact CG-CE1 4.49Å
43D69.3Low73.6Confident57 Ų5779.2 Ų79.231%0.30543%0.431SS..  trans-75.6155.8178.3-175.929.8000110.6S45 G46 L47 V49D43-S45 PolarHBondContact O-N 3.06Å; D43-S45 PolarHBondContact OD2-OG 3.37Å; D43-G46 PolarHBondContact O-N 2.7Å; D43-L47 PolarHBondContact N-O 2.74Å; D43-V49 HydrophobicContact CB-CG2 4Å
44N65.4Low74.3Confident172 Ų17277.2 Ų77.292%0.9242%0.418SS*.THydrogen-bonded Turntrans-61.1-4.8-178.5-68.2-34.2000114
45S63.6Low74.8Confident76 Ų7678.7 Ų78.753%0.53143%0.433SS..THydrogen-bonded Turntrans-95.4-3.6176.557.30000113.9D43D43-S45 PolarHBondContact O-N 3.06Å; D43-S45 PolarHBondContact OD2-OG 3.37Å
46G65.4Low75.5Confident44 Ų4476.4 Ų76.445%0.45442%0.417SS..SBendtrans82.315-177.500000114.6D43D43-G46 PolarHBondContact O-N 2.7Å
47L76.8Confident75.4Confident71 Ų7174.8 Ų74.837%0.37241%0.409SS..  trans-97.4140.1175.1-69.7166000110.5D43D43-L47 PolarHBondContact N-O 2.74Å
48F79.9Confident75.4Confident68 Ų6869.2 Ų69.230%0.29838%0.382SS..EExtended strand (participates in β ladder)trans-80.2128.4172.2-65.3-88.4000109.4R23 G24 K27 L28 E42R23-F48 CarbonylContact C-O 3.54Å; R23-F48 WeakPolarHBondContact CA-O 3.29Å; G24-F48 PolarHBondContact N-O 3.39Å; G24-F48 PolarHBondContact O-N 3.14Å; K27-F48 HydrophobicContact CB-CD1 4.44Å; L28-F48 WeakPolarHBondContact CD1-O 3.44Å; E42-F48 HydrophobicContact CG-CE1 4.49Å
49V83.4Confident74.8Confident12 Ų1267 Ų677%0.07337%0.374CS..EExtended strand (participates in β ladder)trans-122.3124178.6-175.40000108.5T21 C22 R23 S40 Q41 D43T21-V49 HydrophobicContact CG2-CG1 3.53Å; C22-V49 CarbonylContact O-C 3.55Å; C22-V49 VanDerWaalsContact O-CA 3.3Å; C22-V49 WeakPolarHBondContact O-CA 3.31Å; R23-V49 HydrophobicContact CG-CG1 4.12Å; R23-V49 HydrophobicContact CG-CG2 3.96Å; S40-V49 CarbonylContact C-O 3.51Å; S40-V49 WeakPolarHBondContact CA-O 3.45Å; Q41-V49 HydrophobicContact CG-CB 4.14Å; Q41-V49 PolarHBondContact N-O 3.23Å; Q41-V49 PolarHBondContact O-N 3.04Å; D43-V49 HydrophobicContact CB-CG2 4Å
50T83.9Confident74.1Confident1 Ų163.6 Ų63.61%0.00636%0.359CS..EExtended strand (participates in β ladder)trans-120.5133.8172.7179.80000109.7C22 L28 W30 Q39C22-T50 HydrophobicContact CB-CG2 4.02Å; C22-T50 PolarHBondContact N-O 2.94Å; C22-T50 PolarHBondContact O-N 2.8Å; L28-T50 HydrophobicContact CB-CG2 3.55Å; L28-T50 HydrophobicContact CD1-CG2 3.91Å; L28-T50 HydrophobicContact CG-CG2 4.41Å; W30-T50 VanDerWaalsContact CD1-OG1 3.25Å; W30-T50 PolarHBondContact NE1-OG1 2.89Å; W30-T50 VanDerWaalsContact NE1-OG1 3.07Å; Q39-T50 CarbonylContact O-C 3.52Å; Q39-T50 WeakPolarHBondContact O-CA 3.48Å
51T82.8Confident74Confident35 Ų3560.9 Ų60.922%0.21534%0.338CS..EExtended strand (participates in β ladder)trans-126.6135.1-176.1-56.20000109.8L20 Q39L20-T51 WeakPolarHBondContact O-CA 3.35Å; L20-T51 WeakPolarHBondContact O-CG2 3.43Å; Q39-T51 PolarHBondContact N-O 2.8Å; Q39-T51 PolarHBondContact O-N 3.19Å
52I84.7Confident73.6Confident0 Ų055.9 Ų55.90%032%0.315CS..EExtended strand (participates in β ladder)trans-111.1136.8167.157.7176000108.9T19 L20 W30 T32 M36 E38 Y65T19-I52 WeakPolarHBondContact CA-O 3.38Å; L20-I52 HydrophobicContact CB-CD1 4.08Å; L20-I52 HydrophobicContact CB-CG1 3.73Å; L20-I52 HydrophobicContact CD1-CD1 4.01Å; L20-I52 HydrophobicContact CG-CD1 4.44Å; L20-I52 HydrophobicContact CG-CG1 4.47Å; L20-I52 PolarHBondContact N-O 2.84Å; L20-I52 PolarHBondContact O-N 2.87Å; W30-I52 HydrophobicContact CD2-CD1 4.21Å; W30-I52 HydrophobicContact CD2-CG2 4.28Å; W30-I52 HydrophobicContact CE3-CD1 4.06Å; W30-I52 HydrophobicContact CG-CG2 4.05Å; W30-I52 HydrophobicContact CH2-CD1 4.44Å; W30-I52 HydrophobicContact CH2-CG1 4.49Å; W30-I52 HydrophobicContact CZ2-CG1 4.29Å; W30-I52 HydrophobicContact CZ3-CD1 4.17Å; T32-I52 HydrophobicContact CG2-CD1 3.97Å; M36-I52 HydrophobicContact SD-CD1 4.46Å; E38-I52 HydrophobicContact CG-CG2 3.98Å; I52-Y65 HydrophobicContact CD1-CD1 3.38Å; I52-Y65 HydrophobicContact CD1-CE1 3.74Å
53A81.8Confident73.4Confident53 Ų5350.1 Ų50.144%0.43829%0.29SS..EExtended strand (participates in β ladder)trans-129.4130.2-179.200000108.9T19T19-A53 HydrophobicContact CG2-CB 3.58Å
54V80.1Confident73.5Confident13 Ų1351.6 Ų51.68%0.07929%0.292CS..EExtended strand (participates in β ladder)trans-117.4119.6173.3177.20000107.2P17 F18 M36P17-V54 CarbonylContact C-O 3.59Å; P17-V54 WeakPolarHBondContact CA-O 3.29Å; P17-V54 WeakPolarHBondContact CB-O 3.27Å; F18-V54 HydrophobicContact CD1-CB 3.83Å; F18-V54 HydrophobicContact CD1-CG1 4.31Å; F18-V54 HydrophobicContact CD1-CG2 4.4Å; F18-V54 HydrophobicContact CE1-CB 3.37Å; F18-V54 HydrophobicContact CE1-CG1 3.75Å; F18-V54 HydrophobicContact CE1-CG2 3.55Å; F18-V54 HydrophobicContact CE2-CG2 4.25Å; F18-V54 HydrophobicContact CZ-CB 3.83Å; F18-V54 HydrophobicContact CZ-CG2 3.46Å; F18-V54 VanDerWaalsContact CZ-CG2 3.46Å; F18-V54 PolarHBondContact N-O 2.86Å; F18-V54 PolarHBondContact O-N 3.45Å; M36-V54 HydrophobicContact SD-CG2 3.7Å
55D76.8Confident74Confident142 Ų14243.4 Ų43.476%0.75925%0.248SC*.SBendtrans-76.5-32.7-178.9-67.6-37.9000112.1
56E78.1Confident74.7Confident114 Ų11440.8 Ų40.853%0.53323%0.229SC..SBendtrans-136.2101.8-178.6-164.4173.6-17700111.2H15 T58 H61H15-E56 HydrophobicContact CB-CG 4.14Å; H15-E56 IonicContact CE1-OE1 3.84Å; H15-E56 IonicContact CG-OE1 3.02Å; H15-E56 IonicContact ND1-OE1 2.64Å; H15-E56 PolarHBondContact ND1-OE1 2.72Å; E56-T58 PolarHBondContact O-N 2.53Å; E56-H61 PolarHBondContact O-CE1 2.88Å
57A69.6Low75.4Confident0 Ų038.7 Ų38.70%021%0.207CC..  trans-62.8125175.200000113.1V12 H15 T16 Y87V12-A57 HydrophobicContact CG1-CB 3.99Å; H15-A57 PolarHBondContact N-O 2.63Å; T16-A57 WeakPolarHBondContact O-CB 3.45Å; T16-A57 PolarHBondContact O-N 3.44Å; A57-Y87 HydrophobicContact CB-CD1 4.24Å; A57-Y87 HydrophobicContact CB-CE1 3.4Å
58T68.6Low75.5Confident42 Ų4237.2 Ų37.226%0.25820%0.2SC..  trans-126.3163.9172.970.70000110.1E56 M60 H61E56-T58 PolarHBondContact O-N 2.53Å; T58-M60 PolarHBondContact O-N 2.81Å; T58-H61 PolarHBondContact N-ND1 2.94Å; T58-H61 PolarHBondContact O-N 2.74Å
59P61.9Low75.5Confident33 Ų3338.2 Ų38.221%0.21420%0.202CC..G310 helixtrans-58.2-20.5177.9-25.636.1000114.5L14 H61 T62L14-P59 HydrophobicContact CD2-CG 4.3Å; P59-H61 PolarHBondContact O-N 2.74Å; P59-T62 WeakPolarHBondContact O-CB 3.45Å; P59-T62 PolarHBondContact O-N 2.8Å; P59-T62 PolarHBondContact O-OG1 3.02Å
60M61.7Low74.8Confident71 Ų7140.2 Ų40.235%0.3521%0.212SC..G310 helixtrans-67.2-20.4175.8-63.7-65.5-158.700113.4T58 T62 P98T58-M60 PolarHBondContact O-N 2.81Å; M60-T62 PolarHBondContact O-N 3.05Å; M60-P98 HydrophobicContact CE-CB 3.69Å; M60-P98 HydrophobicContact CE-CG 3.59Å; M60-P98 HydrophobicContact SD-CB 3.86Å; M60-P98 HydrophobicContact SD-CG 3.77Å
61H70.3Confident73.6Confident25 Ų2545.9 Ų45.912%0.11624%0.242CC..G310 helixtrans-85.13.1179.5-58.2140.5000112.7E56 T58 P59 Y65 Y87E56-H61 PolarHBondContact O-CE1 2.88Å; T58-H61 PolarHBondContact N-ND1 2.94Å; T58-H61 PolarHBondContact O-N 2.74Å; P59-H61 PolarHBondContact O-N 2.74Å; H61-Y65 WeakPolarHBondContact O-CE2 2.92Å; H61-Y65 PolarHBondContact O-OH 3.36Å; H61-Y87 HydrophobicContact CB-CE2 3.69Å; H61-Y87 WeakPolarHBondContact CB-OH 3.46Å; H61-Y87 WeakPolarHBondContact O-CE2 3.48Å
62T69.9Low72.2Confident18 Ų1853.2 Ų53.211%0.1127%0.274CS..  trans-71.8128178.5-45.90000111P59 M60 F86 Y87P59-T62 WeakPolarHBondContact O-CB 3.45Å; P59-T62 PolarHBondContact O-N 2.8Å; P59-T62 PolarHBondContact O-OG1 3.02Å; M60-T62 PolarHBondContact O-N 3.05Å; T62-F86 HydrophobicContact CG2-CD2 4.43Å; T62-Y87 HydrophobicContact CG2-CD2 4.35Å; T62-Y87 WeakPolarHBondContact OG1-CD2 3.5Å
63G68.3Low70.4Confident6 Ų660.1 Ų60.16%0.06231%0.309CS..EExtended strand (participates in β ladder)trans147.6-168.5174.200000113.4Y65 I85G63-Y65 VanDerWaalsContact O-CD2 3.28Å; G63-Y65 WeakPolarHBondContact O-CD2 3.4Å; G63-Y65 WeakPolarHBondContact O-CE2 3.45Å; G63-I85 PolarHBondContact N-O 2.86Å; G63-I85 PolarHBondContact O-N 2.81Å
64Y69.8Low68.3Low88 Ų8861.6 Ų61.635%0.34532%0.322SS..EExtended strand (participates in β ladder)trans-79.1133.2-177.8-61.1-69000112.2P33 L82P33-Y64 VanDerWaalsContact CD-O 3.3Å; P33-Y64 WeakPolarHBondContact CD-O 3.37Å; P33-Y64 WeakPolarHBondContact CG-O 3.24Å; Y64-L82 HydrophobicContact CD1-CD1 4.03Å; Y64-L82 HydrophobicContact CD1-CD2 3.96Å; Y64-L82 HydrophobicContact CD1-CG 4.24Å; Y64-L82 HydrophobicContact CE1-CD2 4.36Å; Y64-L82 HydrophobicContact CG-CD1 4.49Å
65Y77.1Confident66.6Low0 Ų070.7 Ų70.70%036%0.363CS..EExtended strand (participates in β ladder)trans-112.5112.1169.5-67.4-103000107.9L20 T32 P33 M36 I52 H61 G63 I83 I85L20-Y65 HydrophobicContact CD1-CD1 3.81Å; L20-Y65 HydrophobicContact CD1-CD2 4.34Å; L20-Y65 HydrophobicContact CD1-CG 3.68Å; T32-Y65 HydrophobicContact CG2-CD1 3.66Å; T32-Y65 HydrophobicContact CG2-CE1 4.1Å; P33-Y65 HydrophobicContact CG-CE2 4.07Å; M36-Y65 HydrophobicContact CE-CE1 3.45Å; M36-Y65 VanDerWaalsContact CE-CE1 3.45Å; M36-Y65 VanDerWaalsContact CE-OH 3.3Å; M36-Y65 WeakPolarHBondContact CE-OH 3.16Å; M36-Y65 HydrophobicContact SD-CE1 3.93Å; I52-Y65 HydrophobicContact CD1-CD1 3.38Å; I52-Y65 HydrophobicContact CD1-CE1 3.74Å; H61-Y65 WeakPolarHBondContact O-CE2 2.92Å; H61-Y65 PolarHBondContact O-OH 3.36Å; G63-Y65 VanDerWaalsContact O-CD2 3.28Å; G63-Y65 WeakPolarHBondContact O-CD2 3.4Å; G63-Y65 WeakPolarHBondContact O-CE2 3.45Å; Y65-I83 PolarHBondContact N-O 2.75Å; Y65-I83 PolarHBondContact O-N 2.82Å; Y65-I83 VanDerWaalsContact O-N 3.1Å; Y65-I85 HydrophobicContact CD2-CB 4.07Å; Y65-I85 HydrophobicContact CD2-CD1 3.78Å; Y65-I85 HydrophobicContact CD2-CG1 3.76Å; Y65-I85 HydrophobicContact CE2-CB 3.77Å; Y65-I85 HydrophobicContact CE2-CD1 3.71Å; Y65-I85 HydrophobicContact CE2-CG1 3.86Å; Y65-I85 HydrophobicContact CG-CD1 4.33Å
66V77.3Confident65Low20 Ų2072 Ų7212%0.12137%0.365CS..EExtended strand (participates in β ladder)trans-112.5128.6-175.8-165.90000109.2W30 E31 L68 L82W30-V66 WeakPolarHBondContact CA-O 3.46Å; E31-V66 HydrophobicContact CB-CB 4.13Å; E31-V66 PolarHBondContact N-O 3.44Å; E31-V66 PolarHBondContact O-N 2.75Å; V66-L68 HydrophobicContact CG1-CD2 3.67Å; V66-L68 HydrophobicContact CG1-CG 3.98Å; V66-L82 HydrophobicContact CG2-CD1 4.02Å; V66-L82 HydrophobicContact CG2-CG 4.4Å
67C80.3Confident63.2Low0 Ų073.1 Ų73.10%038%0.379CS..EExtended strand (participates in β ladder)trans-105.2127.2171.5179.10000110.6P1 L3 C22 W30 S81P1-C67 VanDerWaalsContact CG-O 3.27Å; P1-C67 WeakPolarHBondContact CG-O 3.33Å; L3-C67 HydrophobicContact CD1-CB 3.57Å; C22-C67 HydrophobicContact CB-CB 3.66Å; C22-C67 WeakPolarHBondContact CB-SG 3.39Å; C22-C67 WeakPolarHBondContact SG-CB 3.44Å; C22-C67 CovalentContact SG-SG 2.01Å; C22-C67 PolarHBondContact SG-SG 3.16Å; W30-C67 HydrophobicContact CD2-CB 4.49Å; W30-C67 HydrophobicContact CE3-CB 4.17Å; W30-C67 HydrophobicContact CH2-CB 4.35Å; W30-C67 HydrophobicContact CZ3-CB 4.11Å; C67-S81 PolarHBondContact N-O 3.1Å; C67-S81 PolarHBondContact O-N 2.88Å
68L80.2Confident62Low41 Ų4182.2 Ų82.222%0.21542%0.419CS..EExtended strand (participates in β ladder)trans-126.3151-170.5-57.3166.9000110.9L28 M29 E31 V66L28-L68 CarbonylContact C-O 3.58Å; L28-L68 VanDerWaalsContact CA-O 3.25Å; L28-L68 WeakPolarHBondContact CA-O 3.11Å; L28-L68 WeakPolarHBondContact CD2-O 3.47Å; M29-L68 PolarHBondContact N-O 3.32Å; M29-L68 PolarHBondContact O-N 3.28Å; E31-L68 HydrophobicContact CB-CD1 4.28Å; V66-L68 HydrophobicContact CG1-CD2 3.67Å; V66-L68 HydrophobicContact CG1-CG 3.98Å
69Y79.1Confident61Low88 Ų8883.7 Ų83.735%0.34543%0.431SS..EExtended strand (participates in β ladder)trans-76.2133.8164.8-70.5-62000109.9P1 V26 L28 D71P1-Y69 HydrophobicContact CG-CE2 4.47Å; V26-Y69 HydrophobicContact CB-CD1 3.9Å; V26-Y69 HydrophobicContact CB-CE1 4.3Å; L28-Y69 HydrophobicContact CD2-CD1 3.5Å; L28-Y69 HydrophobicContact CD2-CE1 3.69Å; L28-Y69 HydrophobicContact CD2-CG 4.33Å; Y69-D71 PolarHBondContact O-N 3Å
70N68.9Low60.7Low55 Ų5585.2 Ų85.229%0.29444%0.443SS..  trans-87.682-179.5-171.41.2000109.5K27 M29K27-N70 HydrophobicContact CB-CB 4.35Å; K27-N70 HydrophobicContact CG-CB 4.39Å; K27-N70 WeakPolarHBondContact O-CB 3.4Å; K27-N70 PolarHBondContact O-N 3.05Å; M29-N70 HydrophobicContact CB-CB 4.43Å
71D59.5Low60.5Low119 Ų11983.3 Ų83.364%0.63644%0.436SS*.  trans-135.8131.3177.5-126.1-21.4000112.7Y69 I73Y69-D71 PolarHBondContact O-N 3Å; D71-I73 VanDerWaalsContact C-N 3.33Å
72H52.1Low59.9Low189 Ų18986.3 Ų86.388%0.87545%0.453SS*.SBendtrans-86.63.8-179.4-90.5-67.5000113.5
73I47.4Very low59.3Low145 Ų14585.4 Ų85.474%0.74445%0.447SS*.SBendtrans-147.183.1-169.7-48.2176.6000110.7D71D71-I73 VanDerWaalsContact C-N 3.33Å
74A37Very low58.5Low85 Ų8585.8 Ų85.870%0.70245%0.448SS*.  trans173.8112.9148.200000110.5E76A74-E76 VanDerWaalsContact C-N 3.29Å; A74-E76 PolarHBondContact O-N 2.96Å
75E44.7Very low58Low204 Ų20481.6 Ų81.695%0.95343%0.431SS*.  trans-79.64.2180-97.3-176.8158.800115.1
76E43.2Very low56.9Low170 Ų17083.2 Ų83.279%0.79444%0.439SS*.SBendtrans-130.1109.5-175.7-67.8-174.5164.200110.5A74A74-E76 VanDerWaalsContact C-N 3.29Å; A74-E76 PolarHBondContact O-N 2.96Å
77T39.9Very low56.2Low136 Ų13682.4 Ų82.483%0.83443%0.433SS*.  trans85.568.4177.466.80000118S79T77-S79 PolarHBondContact O-N 2.77Å
78K44.2Very low54.8Low191 Ų19185.6 Ų85.683%0.8345%0.454SS*.  trans-64.598.7158.8-76-175.3179.7-179.70109.3S80K78-S80 PolarHBondContact O-N 2.74Å
79S48.9Very low53.5Low74 Ų7485 Ų8552%0.51745%0.451SS..  trans-78.1107.4161.334.50000107.4P1 T77P1-S79 WeakPolarHBondContact CD-O 3.38Å; T77-S79 PolarHBondContact O-N 2.77Å
80S55.5Low52.2Low65 Ų6586.1 Ų86.146%0.45547%0.469SS..  trans-113148.1174.455.10000109.7K78K78-S80 PolarHBondContact O-N 2.74Å
81S58Low51.5Low30 Ų3087.1 Ų87.121%0.2148%0.475CS..EExtended strand (participates in β ladder)trans-115.4131.4170.8-61.20000108.3P1 C67P1-S81 PolarHBondContact O-OG 2.8Å; C67-S81 PolarHBondContact N-O 3.1Å; C67-S81 PolarHBondContact O-N 2.88Å
82L57.7Low51.3Low88 Ų8885.1 Ų85.146%0.46147%0.468SS..EExtended strand (participates in β ladder)trans-125.5137.1-171.4177.5147.5000108.9Y64 V66Y64-L82 HydrophobicContact CD1-CD1 4.03Å; Y64-L82 HydrophobicContact CD1-CD2 3.96Å; Y64-L82 HydrophobicContact CD1-CG 4.24Å; Y64-L82 HydrophobicContact CE1-CD2 4.36Å; Y64-L82 HydrophobicContact CG-CD1 4.49Å; V66-L82 HydrophobicContact CG2-CD1 4.02Å; V66-L82 HydrophobicContact CG2-CG 4.4Å
83I57.2Low51.5Low0 Ų083 Ų830%046%0.463CS..EExtended strand (participates in β ladder)trans-130.3138.6169-164.6157.4000109.3L3 P5 E7 V10 L20 Y65L3-I83 HydrophobicContact CD2-CB 3.33Å; L3-I83 HydrophobicContact CD2-CD1 3.87Å; L3-I83 HydrophobicContact CD2-CG1 4.24Å; L3-I83 HydrophobicContact CD2-CG2 3.28Å; P5-I83 HydrophobicContact CG-CD1 4.07Å; P5-I83 WeakPolarHBondContact O-CD1 3.39Å; E7-I83 WeakPolarHBondContact O-CD1 3.25Å; E7-I83 WeakPolarHBondContact O-CG1 3.48Å; V10-I83 HydrophobicContact CG2-CD1 3.43Å; V10-I83 VanDerWaalsContact CG2-CD1 3.43Å; V10-I83 HydrophobicContact CG2-CG1 3.96Å; L20-I83 HydrophobicContact CD1-CG2 3.67Å; L20-I83 HydrophobicContact CD2-CD1 4.32Å; L20-I83 HydrophobicContact CD2-CG2 4.29Å; Y65-I83 PolarHBondContact N-O 2.75Å; Y65-I83 PolarHBondContact O-N 2.82Å; Y65-I83 VanDerWaalsContact O-N 3.1Å
84D50.1Low52.2Low13 Ų1378.5 Ų78.57%0.0744%0.444CS..EExtended strand (participates in β ladder)trans-94.8126.6174.6-162.3-2.1000108.9D8 E9 V10 K142D8-D84 PolarHBondContact O-N 2.79Å; D8-D84 VanDerWaalsContact O-N 3.09Å; E9-D84 CarbonylContact C-O 3.56Å; E9-D84 WeakPolarHBondContact CA-O 3.42Å; V10-D84 PolarHBondContact N-O 2.9Å; D84-K142 IonicContact OD2-NZ 3.85Å; D84-K142 PolarHBondContact OD2-NZ 2.82Å
85I60.3Low53.9Low0 Ų074.8 Ų74.80%041%0.413CS..EExtended strand (participates in β ladder)trans-109.4117.6174-61.3-172.7000109.4V10 V12 F18 L20 G63 Y65 Y87V10-I85 WeakPolarHBondContact O-CA 3.26Å; V12-I85 HydrophobicContact CB-CG2 4.41Å; V12-I85 HydrophobicContact CG2-CG2 3.88Å; F18-I85 HydrophobicContact CD2-CD1 3.74Å; F18-I85 HydrophobicContact CE2-CD1 3.29Å; F18-I85 HydrophobicContact CZ-CD1 3.95Å; L20-I85 HydrophobicContact CD1-CD1 3.59Å; L20-I85 HydrophobicContact CD1-CG1 4.47Å; L20-I85 HydrophobicContact CD2-CD1 4.23Å; L20-I85 HydrophobicContact CG-CD1 4.06Å; G63-I85 PolarHBondContact N-O 2.86Å; G63-I85 PolarHBondContact O-N 2.81Å; Y65-I85 HydrophobicContact CD2-CB 4.07Å; Y65-I85 HydrophobicContact CD2-CD1 3.78Å; Y65-I85 HydrophobicContact CD2-CG1 3.76Å; Y65-I85 HydrophobicContact CE2-CB 3.77Å; Y65-I85 HydrophobicContact CE2-CD1 3.71Å; Y65-I85 HydrophobicContact CE2-CG1 3.86Å; Y65-I85 HydrophobicContact CG-CD1 4.33Å; I85-Y87 HydrophobicContact CG2-CD2 4.26Å; I85-Y87 HydrophobicContact CG2-CE2 3.52Å
86F54.1Low55.4Low35 Ų3566.4 Ų66.415%0.15437%0.374CS..EExtended strand (participates in β ladder)trans-108132.3-178-164.3-95.9000112.4V10 V11 V12 T62 P88 S118 P120V10-F86 PolarHBondContact O-N 2.04Å; V11-F86 WeakPolarHBondContact CA-O 3.26Å; V12-F86 PolarHBondContact N-O 3.17Å; T62-F86 HydrophobicContact CG2-CD2 4.43Å; F86-P88 HydrophobicContact CE1-CB 4.37Å; F86-S118 VanDerWaalsContact CZ-O 3.23Å; F86-S118 WeakPolarHBondContact CZ-O 3.46Å; F86-P120 HydrophobicContact CE1-CG 4.17Å; F86-P120 HydrophobicContact CE2-CG 4.25Å; F86-P120 VanDerWaalsContact CZ-CD 3.46Å; F86-P120 HydrophobicContact CZ-CG 3.77Å
87Y61.4Low56.7Low3 Ų358.9 Ų58.91%0.01234%0.339CS..  trans-112.9105.9175.4-65-87.7000110.5V12 F18 A57 H61 T62 I85 N89V12-Y87 HydrophobicContact CB-CD1 4.35Å; V12-Y87 HydrophobicContact CB-CE1 3.74Å; V12-Y87 HydrophobicContact CG1-CE1 3.95Å; V12-Y87 WeakPolarHBondContact O-CD1 3.37Å; F18-Y87 WeakPolarHBondContact CE1-OH 3.39Å; F18-Y87 WeakPolarHBondContact CZ-OH 3.35Å; A57-Y87 HydrophobicContact CB-CD1 4.24Å; A57-Y87 HydrophobicContact CB-CE1 3.4Å; H61-Y87 HydrophobicContact CB-CE2 3.69Å; H61-Y87 WeakPolarHBondContact CB-OH 3.46Å; H61-Y87 WeakPolarHBondContact O-CE2 3.48Å; T62-Y87 HydrophobicContact CG2-CD2 4.35Å; T62-Y87 WeakPolarHBondContact OG1-CD2 3.5Å; I85-Y87 HydrophobicContact CG2-CD2 4.26Å; I85-Y87 HydrophobicContact CG2-CE2 3.52Å; Y87-N89 PolarHBondContact O-N 3.45Å; Y87-N89 VanDerWaalsContact O-N 3.09Å
88P52.3Low57.7Low67 Ų6755.3 Ų55.344%0.43532%0.318SS..  trans-72107.1169.826.1-28.6000108.6V11 F86 P90V11-P88 HydrophobicContact CG1-CG 3.95Å; F86-P88 HydrophobicContact CE1-CB 4.37Å; P88-P90 WeakPolarHBondContact O-CD 3.45Å
89N52.8Low58.5Low27 Ų2747.9 Ų47.914%0.14429%0.287CS..  trans-80.1119.5173.8-166.99000109.8Y87 D91 S94Y87-N89 PolarHBondContact O-N 3.45Å; Y87-N89 VanDerWaalsContact O-N 3.09Å; N89-D91 VanDerWaalsContact OD1-CB 3.25Å; N89-D91 WeakPolarHBondContact OD1-CB 3.44Å; N89-D91 PolarHBondContact OD1-N 2.78Å; N89-D91 VanDerWaalsContact OD1-N 3.1Å; N89-S94 PolarHBondContact ND2-O 2.78Å; N89-S94 VanDerWaalsContact ND2-O 3.14Å; N89-S94 PolarHBondContact ND2-OG 2.87Å
90P50.6Low58.9Low112 Ų11252.6 Ų52.673%0.72730%0.295SS*.  trans-81.5-1.9170.832.7-31.1000112.8L14 P88 P92L14-P90 HydrophobicContact CD1-CG 4.28Å; P88-P90 WeakPolarHBondContact O-CD 3.45Å; P90-P92 VanDerWaalsContact O-CD 3.26Å; P90-P92 WeakPolarHBondContact O-CD 3.2Å
91D55.3Low59Low77 Ų7754.4 Ų54.441%0.41230%0.299SS..  trans-84111.7-176.9-161.6-8.7000112.2N89 D93 S94N89-D91 VanDerWaalsContact OD1-CB 3.25Å; N89-D91 WeakPolarHBondContact OD1-CB 3.44Å; N89-D91 PolarHBondContact OD1-N 2.78Å; N89-D91 VanDerWaalsContact OD1-N 3.1Å; D91-D93 PolarHBondContact O-N 2.94Å; D91-D93 PolarHBondContact OD1-N 2.83Å; D91-S94 PolarHBondContact O-N 2.79Å
92P55.4Low59.4Low76 Ų7655.2 Ų55.249%0.49430%0.301SS..THydrogen-bonded Turntrans-67-13178.926.3-32.9000113.8P90 H165P90-P92 VanDerWaalsContact O-CD 3.26Å; P90-P92 WeakPolarHBondContact O-CD 3.2Å; P92-H165 PolarHBondContact O-CE1 2.86Å; P92-H165 PolarHBondContact O-ND1 2.82Å
93D55.9Low59.6Low144 Ų14455.9 Ų55.977%0.7730%0.301SS*.THydrogen-bonded Turntrans-86.3-8.8-179.1-72.2-25.8000113.8D91D91-D93 PolarHBondContact O-N 2.94Å; D91-D93 PolarHBondContact OD1-N 2.83Å
94S61.2Low60.2Low51 Ų5156.5 Ų56.536%0.35731%0.305SS..  trans-134.568.1-179.2510000113N89 D91N89-S94 PolarHBondContact ND2-O 2.78Å; N89-S94 VanDerWaalsContact ND2-O 3.14Å; N89-S94 PolarHBondContact ND2-OG 2.87Å; D91-S94 PolarHBondContact O-N 2.79Å
95V72.4Confident60.8Low7 Ų759 Ų594%0.04232%0.322CS..  trans-74.2-31.7-177174.90000113.9V117 S118 A158 V160 H165V95-V117 HydrophobicContact CG1-CG1 4.43Å; V95-V117 WeakPolarHBondContact O-CA 3.44Å; V95-S118 PolarHBondContact O-N 2.84Å; V95-S118 PolarHBondContact O-OG 3.02Å; V95-A158 HydrophobicContact CG1-CB 3.75Å; V95-V160 HydrophobicContact CG1-CG2 3.6Å; V95-V160 HydrophobicContact CG2-CB 4.46Å; V95-V160 HydrophobicContact CG2-CG2 4.16Å; V95-H165 HydrophobicContact CB-CB 4.04Å; V95-H165 HydrophobicContact CG1-CB 4.38Å; V95-H165 HydrophobicContact CG2-CB 4.03Å
96F75.9Confident61.1Low29 Ų2961.7 Ų61.713%0.12734%0.338CS..BIsolated β-bridgetrans-99.5139.5178-70.4-80.9000110.9C115 R116 V117 V124 C156 A158 H165F96-C115 HydrophobicContact CD1-CB 4.49Å; F96-C115 HydrophobicContact CE1-CB 4.45Å; F96-R116 WeakPolarHBondContact CA-O 3.47Å; F96-V117 HydrophobicContact CD1-CG1 3.86Å; F96-V117 HydrophobicContact CE1-CG1 3.7Å; F96-V117 HydrophobicContact CZ-CG1 4.4Å; F96-V124 HydrophobicContact CE1-CG1 4.29Å; F96-C156 HydrophobicContact CE1-CB 3.76Å; F96-C156 HydrophobicContact CZ-CB 3.95Å; F96-C156 VanDerWaalsContact CZ-O 3.28Å; F96-C156 WeakPolarHBondContact CZ-O 3.37Å; F96-A158 HydrophobicContact CE1-CB 4.14Å; F96-A158 HydrophobicContact CE2-CB 3.86Å; F96-A158 HydrophobicContact CZ-CB 3.46Å; F96-A158 VanDerWaalsContact CZ-CB 3.46Å; F96-H165 HydrophobicContact CE2-CB 4.46Å
97V70.7Confident61.2Low11 Ų1165.4 Ų65.47%0.06736%0.36CS..PPolyproline II helixtrans-73.8123.3174.2-176.60000108.2N99 R116V97-N99 PolarHBondContact O-N 2.74Å; V97-R116 HydrophobicContact CB-CB 4.34Å; V97-R116 HydrophobicContact CG2-CB 4.37Å; V97-R116 PolarHBondContact N-O 3.2Å
98P61.5Low60.6Low62 Ų6274.4 Ų74.440%0.40340%0.402SS..PPolyproline II helixtrans-59.6135.3179.4-22.834000111.1M60M60-P98 HydrophobicContact CE-CB 3.69Å; M60-P98 HydrophobicContact CE-CG 3.59Å; M60-P98 HydrophobicContact SD-CB 3.86Å; M60-P98 HydrophobicContact SD-CG 3.77Å
99N61.9Low60.9Low34 Ų3477 Ų7718%0.18241%0.412CS..  trans-125144.1174.9-160.4-5.2000109.7V97 P114V97-N99 PolarHBondContact O-N 2.74Å; N99-P114 WeakPolarHBondContact ND2-CB 3.26Å; N99-P114 WeakPolarHBondContact ND2-CG 3.32Å
100Y56.9Low61.9Low173 Ų17381.7 Ų81.768%0.67843%0.433SS*.SBendtrans-87.7-8.8-178.6-64.4-80.9000112.8
101I57.8Low63.2Low104 Ų10476.7 Ų76.753%0.53340%0.4SS..  trans-106.198-177.1-54.3176.6000109.2H103I101-H103 WeakPolarHBondContact CG2-O 3.41Å
102N65.6Low64.5Low46 Ų4677 Ų7725%0.24640%0.399CS..  trans-98.22.5176.9-65.9-2.7000112.3E168 Y170 I171N102-E168 PolarHBondContact ND2-OE2 3.14Å; N102-Y170 CarbonylContact O-C 3.55Å; N102-Y170 WeakPolarHBondContact O-CA 3.28Å; N102-I171 PolarHBondContact O-N 3.44Å
103H62.8Low65.9Low102 Ų10273.4 Ų73.447%0.47238%0.376SS..EExtended strand (participates in β ladder)trans-118.2115.3-177.4-78-68.6000109.3I101 Y173I101-H103 WeakPolarHBondContact CG2-O 3.41Å; H103-Y173 HydrophobicContact CB-CE1 3.83Å
104V69.1Low67.1Low14 Ų1467.2 Ų67.29%0.08534%0.343CS..EExtended strand (participates in β ladder)trans-114.8110.2-175.3-1750000108.8I111 I171 V172 Y173V104-I111 HydrophobicContact CG1-CG2 3.48Å; V104-I111 VanDerWaalsContact CG1-CG2 3.48Å; V104-I171 PolarHBondContact N-O 3.22Å; V104-V172 HydrophobicContact CB-CG2 4.26Å; V104-V172 VanDerWaalsContact O-CA 3.27Å; V104-V172 WeakPolarHBondContact O-CA 3.47Å; V104-Y173 PolarHBondContact O-N 3.26Å; V104-Y173 VanDerWaalsContact O-N 3.16Å
105P63Low68.1Low65 Ų6564.8 Ų64.842%0.42233%0.326SS..EExtended strand (participates in β ladder)trans-71.1142.8175.429.1-32.2000110.5D107 Y173P105-D107 PolarHBondContact O-N 2.9Å; P105-Y173 WeakPolarHBondContact CA-O 3.41Å
106V66.4Low68.6Low56 Ų5667 Ų6734%0.33933%0.334SS..  trans-70.3113.6169.5176.40000108.3I111 V172 Y173V106-I111 HydrophobicContact CB-CD1 4.44Å; V106-I111 HydrophobicContact CG1-CD1 4.25Å; V106-I111 HydrophobicContact CG2-CD1 4.22Å; V106-V172 HydrophobicContact CG2-CG1 3.55Å; V106-Y173 PolarHBondContact N-O 3.1Å
107D57.1Low68.7Low114 Ų11465.8 Ų65.861%0.6133%0.329SS*.  trans-99.5158.5167-165.93.6000109.5P105 N109P105-D107 PolarHBondContact O-N 2.9Å; D107-N109 PolarHBondContact O-N 2.82Å; D107-N109 VanDerWaalsContact O-N 3.13Å
108Q47.9Very low68.5Low191 Ų19165.8 Ų65.889%0.89333%0.33SS*.SBendtrans-69.1-4.5178.8-68.3-173.3-10.400113.3
109N59.3Low68.9Low122 Ų12264.7 Ų64.765%0.65232%0.321SS*.SBendtrans-116.9164.6174.3-75.4-30.6000111.3D107 I111D107-N109 PolarHBondContact O-N 2.82Å; D107-N109 VanDerWaalsContact O-N 3.13Å; N109-I111 PolarHBondContact O-N 2.8Å
110E72.1Confident69.2Low126 Ų12666.3 Ų66.359%0.58933%0.333SS*.  trans-31.1115.9177.9-170.1174.6-154.200113.6L146E110-L146 HydrophobicContact CG-CB 4.16Å
111I78Confident69.8Low7 Ų767.9 Ų67.94%0.03634%0.337CS..EExtended strand (participates in β ladder)trans-81.7131.7-178.7-58.7172.4000109.1V104 V106 N109 L146 G147 F149 V172V104-I111 HydrophobicContact CG1-CG2 3.48Å; V104-I111 VanDerWaalsContact CG1-CG2 3.48Å; V106-I111 HydrophobicContact CB-CD1 4.44Å; V106-I111 HydrophobicContact CG1-CD1 4.25Å; V106-I111 HydrophobicContact CG2-CD1 4.22Å; N109-I111 PolarHBondContact O-N 2.8Å; I111-L146 WeakPolarHBondContact O-CA 3.08Å; I111-G147 WeakPolarHBondContact CA-O 3.38Å; I111-G147 VanDerWaalsContact CB-O 3.27Å; I111-G147 WeakPolarHBondContact CB-O 3.46Å; I111-G147 PolarHBondContact N-O 3.29Å; I111-G147 PolarHBondContact O-N 3.46Å; I111-G147 VanDerWaalsContact O-N 3.09Å; I111-F149 HydrophobicContact CB-CD2 3.95Å; I111-F149 HydrophobicContact CB-CE2 4.34Å; I111-F149 HydrophobicContact CG2-CD2 3.9Å; I111-F149 HydrophobicContact CG2-CE2 4.42Å; I111-F149 WeakPolarHBondContact O-CE2 3.39Å; I111-V172 HydrophobicContact CD1-CG1 4.42Å
112E82.9Confident70.6Confident83 Ų8363.6 Ų63.639%0.38832%0.317SS..EExtended strand (participates in β ladder)trans-101.4114174-176.7177.5146.200110.3P114 K143 L146E112-P114 WeakPolarHBondContact O-CD 3.37Å; E112-K143 HydrophobicContact CG-CB 4.34Å; E112-L146 HydrophobicContact CB-CD2 3.79Å; E112-L146 HydrophobicContact CG-CD2 3.84Å
113I84.6Confident71.4Confident0 Ų066 Ų660%033%0.334CS..EExtended strand (participates in β ladder)trans-91.8109.6166.1-65.2176.1000107.3C115 L126 G144 A145 F149 Y154 Y170 V172I113-C115 HydrophobicContact CG2-CB 4.4Å; I113-C115 PolarHBondContact O-N 3.45Å; I113-L126 HydrophobicContact CD1-CD1 3.79Å; I113-L126 HydrophobicContact CD1-CD2 3.77Å; I113-L126 HydrophobicContact CD1-CG 4.41Å; I113-L126 HydrophobicContact CG2-CD1 4.24Å; I113-G144 WeakPolarHBondContact O-CA 3.05Å; I113-A145 HydrophobicContact CB-CB 4.31Å; I113-A145 PolarHBondContact N-O 2.91Å; I113-A145 PolarHBondContact O-N 3.23Å; I113-F149 HydrophobicContact CD1-CD2 3.49Å; I113-F149 VanDerWaalsContact CD1-CD2 3.49Å; I113-F149 HydrophobicContact CD1-CE2 3.68Å; I113-F149 HydrophobicContact CD1-CG 4.06Å; I113-F149 HydrophobicContact CD1-CZ 4.38Å; I113-F149 HydrophobicContact CG1-CD2 3.85Å; I113-F149 HydrophobicContact CG1-CE2 3.83Å; I113-Y154 HydrophobicContact CD1-CD1 4.37Å; I113-Y154 HydrophobicContact CD1-CD2 4.35Å; I113-Y154 HydrophobicContact CD1-CG 3.97Å; I113-Y170 HydrophobicContact CG2-CD1 4.26Å; I113-Y170 HydrophobicContact CG2-CD2 3.64Å; I113-Y170 HydrophobicContact CG2-CE2 4.17Å; I113-Y170 HydrophobicContact CG2-CG 3.7Å; I113-V172 HydrophobicContact CD1-CG2 4.32Å
114P81.5Confident72.6Confident14 Ų1461.9 Ų61.99%0.09132%0.316CS..  trans-84.850.9-161.836.6-40000113.1N99 E112 R116 K143 Y170N99-P114 WeakPolarHBondContact ND2-CB 3.26Å; N99-P114 WeakPolarHBondContact ND2-CG 3.32Å; E112-P114 WeakPolarHBondContact O-CD 3.37Å; P114-R116 VanDerWaalsContact C-N 3.34Å; P114-R116 PolarHBondContact O-N 2.87Å; P114-K143 WeakPolarHBondContact CA-O 2.99Å; P114-Y170 HydrophobicContact CG-CD1 4.4Å; P114-Y170 HydrophobicContact CG-CE1 3.95Å
115C83.3Confident73.5Confident0 Ų064.1 Ų64.10%033%0.33CS..  trans-89.560.3-177.266.90000112.9F96 I113 Y139 C156 Y170F96-C115 HydrophobicContact CD1-CB 4.49Å; F96-C115 HydrophobicContact CE1-CB 4.45Å; I113-C115 HydrophobicContact CG2-CB 4.4Å; I113-C115 PolarHBondContact O-N 3.45Å; C115-Y139 PolarHBondContact O-OH 3.21Å; C115-Y139 VanDerWaalsContact O-OH 3.06Å; C115-C156 HydrophobicContact CB-CB 3.46Å; C115-C156 VanDerWaalsContact CB-CB 3.46Å; C115-C156 WeakPolarHBondContact CB-SG 3.49Å; C115-C156 WeakPolarHBondContact SG-CB 3.35Å; C115-C156 CovalentContact SG-SG 2.02Å; C115-C156 PolarHBondContact SG-SG 3.49Å; C115-Y170 HydrophobicContact CB-CE2 3.69Å
116R82.8Confident74.8Confident53 Ų5361.1 Ų61.120%0.231%0.31CS..  trans-68.4146.1-174.9-60.1172.2-66.6163.21.8112.2F96 V97 P114 K142 K143F96-R116 WeakPolarHBondContact CA-O 3.47Å; V97-R116 HydrophobicContact CB-CB 4.34Å; V97-R116 HydrophobicContact CG2-CB 4.37Å; V97-R116 PolarHBondContact N-O 3.2Å; P114-R116 VanDerWaalsContact C-N 3.34Å; P114-R116 PolarHBondContact O-N 2.87Å; R116-K142 VanDerWaalsContact CD-O 3.25Å; R116-K142 WeakPolarHBondContact CD-O 3.34Å; R116-K143 WeakPolarHBondContact CG-O 3.28Å
117V76.6Confident75.9Confident4 Ų458.8 Ų58.82%0.02430%0.296CS..BIsolated β-bridgetrans-107.2149.1178.3-70.50000112.1V95 F96 D119 A122 V124 Y139 A158V95-V117 HydrophobicContact CG1-CG1 4.43Å; V95-V117 WeakPolarHBondContact O-CA 3.44Å; F96-V117 HydrophobicContact CD1-CG1 3.86Å; F96-V117 HydrophobicContact CE1-CG1 3.7Å; F96-V117 HydrophobicContact CZ-CG1 4.4Å; V117-D119 VanDerWaalsContact CG2-O 3.26Å; V117-D119 WeakPolarHBondContact CG2-O 3.37Å; V117-A122 HydrophobicContact CB-CB 4.49Å; V117-A122 HydrophobicContact CG2-CB 4.26Å; V117-V124 HydrophobicContact CG1-CG2 3.51Å; V117-V124 HydrophobicContact CG2-CG2 4.31Å; V117-Y139 WeakPolarHBondContact CG1-OH 3.26Å; V117-Y139 HydrophobicContact CG2-CE1 4.14Å; V117-Y139 WeakPolarHBondContact CG2-OH 3.33Å; V117-Y139 PolarHBondContact N-OH 2.91Å; V117-A158 HydrophobicContact CG1-CB 3.91Å
118S67.8Low77.3Confident12 Ų1254 Ų548%0.08427%0.27CS..SBendtrans-79.5-1417962.30000114.8F86 V95F86-S118 VanDerWaalsContact CZ-O 3.23Å; F86-S118 WeakPolarHBondContact CZ-O 3.46Å; V95-S118 PolarHBondContact O-N 2.84Å; V95-S118 PolarHBondContact O-OG 3.02Å
119D70Confident79.1Confident39 Ų3947.6 Ų47.621%0.20924%0.244CC..SBendtrans-118.1115.7169.9-173.6-22.9000108.7V117 R121 A122V117-D119 VanDerWaalsContact CG2-O 3.26Å; V117-D119 WeakPolarHBondContact CG2-O 3.37Å; D119-R121 PolarHBondContact O-N 2.64Å; D119-R121 VanDerWaalsContact O-N 3.08Å; D119-R121 VanDerWaalsContact OD1-CB 3.29Å; D119-R121 WeakPolarHBondContact OD1-CB 3.45Å; D119-R121 IonicContact OD1-CZ 2.68Å; D119-R121 PolarHBondContact OD1-N 3.21Å; D119-R121 IonicContact OD1-NE 3.71Å; D119-R121 PolarHBondContact OD1-NE 3.01Å; D119-R121 VanDerWaalsContact OD1-NE 3.15Å; D119-R121 IonicContact OD1-NH2 2.79Å; D119-R121 IonicContact OD2-CZ 3.08Å; D119-R121 IonicContact OD2-NE 3.89Å; D119-R121 IonicContact OD2-NH2 2.68Å; D119-R121 PolarHBondContact OD2-NH2 2.84Å; D119-A122 VanDerWaalsContact O-CB 3.25Å; D119-A122 WeakPolarHBondContact O-CB 3.44Å; D119-A122 PolarHBondContact O-N 3.26Å
120P68.1Low79.9Confident67 Ų6747.3 Ų47.344%0.43524%0.243SC..THydrogen-bonded Turntrans-71.8-5.9-175.424.2-18.3000112.6F86F86-P120 HydrophobicContact CE1-CG 4.17Å; F86-P120 HydrophobicContact CE2-CG 4.25Å; F86-P120 VanDerWaalsContact CZ-CD 3.46Å; F86-P120 HydrophobicContact CZ-CG 3.77Å
121R69.9Low80.2Confident206 Ų20645 Ų4578%0.77724%0.237SC*.THydrogen-bonded Turntrans-92.6-3.1173.7-54.6171.2-61.8160.58.3112.7D119D119-R121 PolarHBondContact O-N 2.64Å; D119-R121 VanDerWaalsContact O-N 3.08Å; D119-R121 VanDerWaalsContact OD1-CB 3.29Å; D119-R121 WeakPolarHBondContact OD1-CB 3.45Å; D119-R121 IonicContact OD1-CZ 2.68Å; D119-R121 PolarHBondContact OD1-N 3.21Å; D119-R121 IonicContact OD1-NE 3.71Å; D119-R121 PolarHBondContact OD1-NE 3.01Å; D119-R121 VanDerWaalsContact OD1-NE 3.15Å; D119-R121 IonicContact OD1-NH2 2.79Å; D119-R121 IonicContact OD2-CZ 3.08Å; D119-R121 IonicContact OD2-NE 3.89Å; D119-R121 IonicContact OD2-NH2 2.68Å; D119-R121 PolarHBondContact OD2-NH2 2.84Å
122A74.3Confident80.3Confident14 Ų1450.8 Ų50.812%0.11627%0.268CS..  trans-69.9139.6176.700000110.9V117 D119 V160V117-A122 HydrophobicContact CB-CB 4.49Å; V117-A122 HydrophobicContact CG2-CB 4.26Å; D119-A122 VanDerWaalsContact O-CB 3.25Å; D119-A122 WeakPolarHBondContact O-CB 3.44Å; D119-A122 PolarHBondContact O-N 3.26Å; A122-V160 HydrophobicContact CB-CG2 3.78Å
123T81.4Confident80.3Confident96 Ų9652.8 Ų52.859%0.58928%0.278SS*.EExtended strand (participates in β ladder)trans-89.4126.2174.3-53.70000109.3A158 I159T123-A158 WeakPolarHBondContact O-CA 3.49Å; T123-I159 PolarHBondContact O-N 3.21Å
124V87.4Confident80.3Confident16 Ų1657.7 Ų57.710%0.09731%0.308CS..EExtended strand (participates in β ladder)trans-119.7141-175.8-171.80000111.2F96 V117 Y139 C156 K157 A158F96-V124 HydrophobicContact CE1-CG1 4.29Å; V117-V124 HydrophobicContact CG1-CG2 3.51Å; V117-V124 HydrophobicContact CG2-CG2 4.31Å; V124-Y139 HydrophobicContact CB-CD1 3.88Å; V124-Y139 HydrophobicContact CB-CD2 3.78Å; V124-Y139 HydrophobicContact CB-CE1 3.78Å; V124-Y139 HydrophobicContact CB-CE2 3.68Å; V124-Y139 HydrophobicContact CB-CG 3.88Å; V124-Y139 HydrophobicContact CG1-CD2 3.83Å; V124-Y139 HydrophobicContact CG1-CE2 3.55Å; V124-Y139 HydrophobicContact CG1-CG 4.44Å; V124-Y139 HydrophobicContact CG2-CD1 4.04Å; V124-Y139 HydrophobicContact CG2-CD2 4.46Å; V124-Y139 HydrophobicContact CG2-CE1 3.47Å; V124-Y139 VanDerWaalsContact CG2-CE1 3.47Å; V124-Y139 HydrophobicContact CG2-CE2 3.97Å; V124-Y139 HydrophobicContact CG2-CG 4.49Å; V124-Y139 VanDerWaalsContact CG2-CZ 3.45Å; V124-C156 HydrophobicContact CG1-CB 3.88Å; V124-K157 CarbonylContact C-O 3.59Å; V124-K157 VanDerWaalsContact CA-O 3.27Å; V124-K157 WeakPolarHBondContact CA-O 3.34Å; V124-A158 HydrophobicContact CG2-CB 3.96Å
125T89.6Confident80.5Confident62 Ų6259 Ų5938%0.3831%0.314SS..EExtended strand (participates in β ladder)trans-130.6138.9176.552.20000110.7C156 K157T125-C156 CarbonylContact O-C 3.56Å; T125-C156 WeakPolarHBondContact O-CA 3.5Å; T125-K157 PolarHBondContact N-O 2.84Å; T125-K157 PolarHBondContact O-N 2.82Å; T125-K157 PolarHBondContact OG1-O 2.95Å
126L90.4Very high80.5Confident1 Ų164.9 Ų64.91%0.00535%0.352CS..EExtended strand (participates in β ladder)trans-90.9133.6176.3-172.371.4000110.4I113 T134 I135 A145 F149 Y154 C156I113-L126 HydrophobicContact CD1-CD1 3.79Å; I113-L126 HydrophobicContact CD1-CD2 3.77Å; I113-L126 HydrophobicContact CD1-CG 4.41Å; I113-L126 HydrophobicContact CG2-CD1 4.24Å; L126-T134 CarbonylContact O-C 3.45Å; L126-T134 WeakPolarHBondContact O-CA 3.23Å; L126-I135 HydrophobicContact CD2-CB 4.28Å; L126-I135 HydrophobicContact CD2-CG2 4.38Å; L126-I135 PolarHBondContact O-N 2.94Å; L126-A145 HydrophobicContact CB-CB 4.42Å; L126-A145 HydrophobicContact CD1-CB 4.22Å; L126-A145 HydrophobicContact CD2-CB 4.36Å; L126-F149 HydrophobicContact CD2-CD1 3.69Å; L126-F149 HydrophobicContact CD2-CE1 3.32Å; L126-F149 HydrophobicContact CD2-CE2 4.23Å; L126-F149 HydrophobicContact CD2-CG 4.29Å; L126-F149 HydrophobicContact CD2-CZ 3.62Å; L126-Y154 HydrophobicContact CD1-CD1 4.38Å; L126-Y154 HydrophobicContact CD2-CD1 3.99Å; L126-Y154 HydrophobicContact CD2-CE1 4.49Å; L126-Y154 HydrophobicContact CG-CD1 4.07Å; L126-C156 VanDerWaalsContact CD1-SG 3.53Å
127V89.4Confident80.5Confident7 Ų763.8 Ų63.84%0.04235%0.352CS..EExtended strand (participates in β ladder)trans-128.3129.6-179.5-176.80000109.7Q133 T134 Y154 V155 K157V127-Q133 WeakPolarHBondContact CA-O 3.34Å; V127-T134 HydrophobicContact CG2-CG2 4.17Å; V127-Y154 CarbonylContact O-C 3.58Å; V127-Y154 WeakPolarHBondContact O-CA 3.46Å; V127-V155 HydrophobicContact CB-CG2 4.08Å; V127-V155 PolarHBondContact N-O 2.82Å; V127-V155 PolarHBondContact O-N 3.49Å; V127-K157 HydrophobicContact CG2-CD 3.96Å; V127-K157 HydrophobicContact CG2-CG 4.31Å
128N86.5Confident80.8Confident13 Ų1369.7 Ų69.77%0.0738%0.384CS..EExtended strand (participates in β ladder)trans-79.2124.4169.6176.7-69000108.9D130 T131 N132 Q133 I135 T153 Y154N128-D130 PolarHBondContact OD1-N 2.98Å; N128-D130 VanDerWaalsContact OD1-N 3.09Å; N128-T131 WeakPolarHBondContact CB-OG1 3.34Å; N128-T131 PolarHBondContact OD1-N 2.9Å; N128-T131 PolarHBondContact OD1-OG1 2.81Å; N128-N132 WeakPolarHBondContact O-CA 3.23Å; N128-N132 PolarHBondContact O-N 2.85Å; N128-Q133 PolarHBondContact N-O 2.93Å; N128-I135 HydrophobicContact CB-CD1 4.33Å; N128-I135 HydrophobicContact CB-CG1 4.05Å; N128-T153 WeakPolarHBondContact CA-O 3.32Å; N128-Y154 HydrophobicContact CB-CD1 4.12Å; N128-Y154 HydrophobicContact CB-CE1 3.88Å
129V84.9Confident81.7Confident57 Ų5771.9 Ų71.935%0.34539%0.391SS..THydrogen-bonded Turntrans-68.5-37.5-172.7178.80000111.6T153 V155V129-T153 HydrophobicContact CB-CG2 4.27Å; V129-T153 HydrophobicContact CG2-CG2 4Å; V129-T153 PolarHBondContact N-O 3.35Å; V129-V155 HydrophobicContact CG2-CB 4.38Å; V129-V155 HydrophobicContact CG2-CG1 3.71Å; V129-V155 HydrophobicContact CG2-CG2 3.98Å
130D75.6Confident82.1Confident116 Ų11672.7 Ų72.762%0.6240%0.395SS*.THydrogen-bonded Turntrans-72.1-36.4-174.8-58.7-54.2000112.2N128 T153N128-D130 PolarHBondContact OD1-N 2.98Å; N128-D130 VanDerWaalsContact OD1-N 3.09Å; D130-T153 PolarHBondContact OD2-N 2.95Å
131T79Confident82.3Confident77 Ų7771.2 Ų71.247%0.47239%0.386SS..THydrogen-bonded Turntrans-99.1-14.2-179.760.20000113.3N128 Q133N128-T131 WeakPolarHBondContact CB-OG1 3.34Å; N128-T131 PolarHBondContact OD1-N 2.9Å; N128-T131 PolarHBondContact OD1-OG1 2.81Å; T131-Q133 PolarHBondContact O-N 3.07Å
132N80.6Confident82.1Confident129 Ų12965.8 Ų65.869%0.6937%0.368SS*.THydrogen-bonded Turntrans52.129.2-172-159.136000113.2N128N128-N132 WeakPolarHBondContact O-CA 3.23Å; N128-N132 PolarHBondContact O-N 2.85Å
133Q82.6Confident82Confident126 Ų12669.4 Ų69.459%0.58938%0.381SS*.EExtended strand (participates in β ladder)trans-100.3140.8177.9-70.7-174.82.700111V127 N128 T131V127-Q133 WeakPolarHBondContact CA-O 3.34Å; N128-Q133 PolarHBondContact N-O 2.93Å; T131-Q133 PolarHBondContact O-N 3.07Å
134T84.8Confident82Confident103 Ų10364.8 Ų64.863%0.63235%0.353SS*.EExtended strand (participates in β ladder)trans-72.4125170.652.60000109.5L126 V127L126-T134 CarbonylContact O-C 3.45Å; L126-T134 WeakPolarHBondContact O-CA 3.23Å; V127-T134 HydrophobicContact CG2-CG2 4.17Å
135I86.1Confident82.1Confident41 Ų4164.1 Ų64.121%0.2135%0.349CS..EExtended strand (participates in β ladder)trans-98.4129-179.7-58-62.3000108.2L126 N128 S137 F149 Y154L126-I135 HydrophobicContact CD2-CB 4.28Å; L126-I135 HydrophobicContact CD2-CG2 4.38Å; L126-I135 PolarHBondContact O-N 2.94Å; N128-I135 HydrophobicContact CB-CD1 4.33Å; N128-I135 HydrophobicContact CB-CG1 4.05Å; I135-S137 PolarHBondContact O-N 2.92Å; I135-F149 HydrophobicContact CG2-CD1 3.93Å; I135-F149 HydrophobicContact CG2-CE1 4.13Å; I135-Y154 HydrophobicContact CG1-CE1 4.08Å
136P82Confident81.8Confident124 Ų12462.1 Ų62.181%0.80534%0.336SS*.PPolyproline II helixtrans-60.5123.2172.4-18.530.6000109.7
137S82.7Confident81.5Confident30 Ų3063 Ų6321%0.2135%0.345CS..  trans-143140.8177.1610000109.1I135 Y139I135-S137 PolarHBondContact O-N 2.92Å; S137-Y139 PolarHBondContact O-N 2.85Å
138D84.2Confident81.1Confident127 Ų12769.5 Ų69.568%0.67938%0.378SS*.EExtended strand (participates in β ladder)trans-78.2118.8168.5-79.2-28.1000107.9L146D138-L146 PolarHBondContact N-O 3.25Å; D138-L146 WeakPolarHBondContact O-CB 3.31Å; D138-L146 PolarHBondContact O-N 2.89Å
139Y85.6Confident80.9Confident59 Ų5969.1 Ų69.123%0.23138%0.376CS..EExtended strand (participates in β ladder)trans-101.3120.7-175.8-174.4-95.4000111.1C115 V117 V124 S137 A145C115-Y139 PolarHBondContact O-OH 3.21Å; C115-Y139 VanDerWaalsContact O-OH 3.06Å; V117-Y139 WeakPolarHBondContact CG1-OH 3.26Å; V117-Y139 HydrophobicContact CG2-CE1 4.14Å; V117-Y139 WeakPolarHBondContact CG2-OH 3.33Å; V117-Y139 PolarHBondContact N-OH 2.91Å; V124-Y139 HydrophobicContact CB-CD1 3.88Å; V124-Y139 HydrophobicContact CB-CD2 3.78Å; V124-Y139 HydrophobicContact CB-CE1 3.78Å; V124-Y139 HydrophobicContact CB-CE2 3.68Å; V124-Y139 HydrophobicContact CB-CG 3.88Å; V124-Y139 HydrophobicContact CG1-CD2 3.83Å; V124-Y139 HydrophobicContact CG1-CE2 3.55Å; V124-Y139 HydrophobicContact CG1-CG 4.44Å; V124-Y139 HydrophobicContact CG2-CD1 4.04Å; V124-Y139 HydrophobicContact CG2-CD2 4.46Å; V124-Y139 HydrophobicContact CG2-CE1 3.47Å; V124-Y139 VanDerWaalsContact CG2-CE1 3.47Å; V124-Y139 HydrophobicContact CG2-CE2 3.97Å; V124-Y139 HydrophobicContact CG2-CG 4.49Å; V124-Y139 VanDerWaalsContact CG2-CZ 3.45Å; S137-Y139 PolarHBondContact O-N 2.85Å; Y139-A145 HydrophobicContact CD2-CB 4.27Å
140D78.8Confident80.5Confident55 Ų5570.2 Ų70.229%0.29438%0.384SS..EExtended strand (participates in β ladder)trans-107.6123171.4-175.2-20.1000108.6K142 K143 G144 L146D140-K142 PolarHBondContact O-N 2.84Å; D140-K142 VanDerWaalsContact O-N 3.11Å; D140-K142 WeakPolarHBondContact OD1-CB 3.48Å; D140-K142 PolarHBondContact OD1-N 3.02Å; D140-K143 HydrophobicContact CB-CB 4.18Å; D140-K143 PolarHBondContact O-N 2.84Å; D140-G144 PolarHBondContact N-O 3.49Å; D140-G144 WeakPolarHBondContact O-CA 3.11Å; D140-G144 PolarHBondContact O-N 2.95Å; D140-L146 HydrophobicContact CB-CD1 4.21Å
141S72.1Confident80.6Confident37 Ų3768.5 Ų68.526%0.25938%0.379SS..THydrogen-bonded Turntrans-62.1-18.8178.855.40000113.5
142K65.7Low80.7Confident92 Ų9265.5 Ų65.540%0.436%0.364SS..THydrogen-bonded Turntrans-89.4-29.7178.4-55.3-167.2179-148.40113.8D84 R116 D140D84-K142 IonicContact OD2-NZ 3.85Å; D84-K142 PolarHBondContact OD2-NZ 2.82Å; R116-K142 VanDerWaalsContact CD-O 3.25Å; R116-K142 WeakPolarHBondContact CD-O 3.34Å; D140-K142 PolarHBondContact O-N 2.84Å; D140-K142 VanDerWaalsContact O-N 3.11Å; D140-K142 WeakPolarHBondContact OD1-CB 3.48Å; D140-K142 PolarHBondContact OD1-N 3.02Å
143K73Confident80.8Confident89 Ų8960.7 Ų60.739%0.38734%0.339SS..THydrogen-bonded Turntrans-109.8-50-176.3-63.9-175.8176.5-173.50112.6E112 P114 R116 D140 L146E112-K143 HydrophobicContact CG-CB 4.34Å; P114-K143 WeakPolarHBondContact CA-O 2.99Å; R116-K143 WeakPolarHBondContact CG-O 3.28Å; D140-K143 HydrophobicContact CB-CB 4.18Å; D140-K143 PolarHBondContact O-N 2.84Å; K143-L146 HydrophobicContact CB-CD2 4.41Å; K143-L146 HydrophobicContact CD-CD1 4.2Å; K143-L146 HydrophobicContact CD-CD2 4.38Å
144G82.3Confident81.1Confident0 Ų054.7 Ų54.70%031%0.311CS..EExtended strand (participates in β ladder)trans130.3-150.4-175.700000111.2I113 D140I113-G144 WeakPolarHBondContact O-CA 3.05Å; D140-G144 PolarHBondContact N-O 3.49Å; D140-G144 WeakPolarHBondContact O-CA 3.11Å; D140-G144 PolarHBondContact O-N 2.95Å
145A87.6Confident81.3Confident1 Ų150.5 Ų50.51%0.00829%0.285CS..EExtended strand (participates in β ladder)trans-85.1121.1176.200000110.2I113 L126 Y139I113-A145 HydrophobicContact CB-CB 4.31Å; I113-A145 PolarHBondContact N-O 2.91Å; I113-A145 PolarHBondContact O-N 3.23Å; L126-A145 HydrophobicContact CB-CB 4.42Å; L126-A145 HydrophobicContact CD1-CB 4.22Å; L126-A145 HydrophobicContact CD2-CB 4.36Å; Y139-A145 HydrophobicContact CD2-CB 4.27Å
146L85.2Confident81.5Confident21 Ų2148.5 Ų48.511%0.1128%0.275CS..EExtended strand (participates in β ladder)trans-107139.5-179.4-60.1168.5000110.2E110 I111 E112 D138 D140 K143E110-L146 HydrophobicContact CG-CB 4.16Å; I111-L146 WeakPolarHBondContact O-CA 3.08Å; E112-L146 HydrophobicContact CB-CD2 3.79Å; E112-L146 HydrophobicContact CG-CD2 3.84Å; D138-L146 PolarHBondContact N-O 3.25Å; D138-L146 WeakPolarHBondContact O-CB 3.31Å; D138-L146 PolarHBondContact O-N 2.89Å; D140-L146 HydrophobicContact CB-CD1 4.21Å; K143-L146 HydrophobicContact CB-CD2 4.41Å; K143-L146 HydrophobicContact CD-CD1 4.2Å; K143-L146 HydrophobicContact CD-CD2 4.38Å
147G83.8Confident81.8Confident18 Ų1845 Ų4519%0.18625%0.247CC..EExtended strand (participates in β ladder)trans160.9-169.5176.800000113.2I111I111-G147 WeakPolarHBondContact CA-O 3.38Å; I111-G147 VanDerWaalsContact CB-O 3.27Å; I111-G147 WeakPolarHBondContact CB-O 3.46Å; I111-G147 PolarHBondContact N-O 3.29Å; I111-G147 PolarHBondContact O-N 3.46Å; I111-G147 VanDerWaalsContact O-N 3.09Å
148I80.3Confident82.1Confident145 Ų14543.5 Ų43.574%0.74424%0.237SC*.  trans-107.8113.9172.7-58.7174.6000107.2
149F82.8Confident82Confident4 Ų441.6 Ų41.62%0.01823%0.226CC..  trans-114.2130.9-175.9-48.5-59.6000109.7I111 I113 L126 I135 Y154I111-F149 HydrophobicContact CB-CD2 3.95Å; I111-F149 HydrophobicContact CB-CE2 4.34Å; I111-F149 HydrophobicContact CG2-CD2 3.9Å; I111-F149 HydrophobicContact CG2-CE2 4.42Å; I111-F149 WeakPolarHBondContact O-CE2 3.39Å; I113-F149 HydrophobicContact CD1-CD2 3.49Å; I113-F149 VanDerWaalsContact CD1-CD2 3.49Å; I113-F149 HydrophobicContact CD1-CE2 3.68Å; I113-F149 HydrophobicContact CD1-CG 4.06Å; I113-F149 HydrophobicContact CD1-CZ 4.38Å; I113-F149 HydrophobicContact CG1-CD2 3.85Å; I113-F149 HydrophobicContact CG1-CE2 3.83Å; L126-F149 HydrophobicContact CD2-CD1 3.69Å; L126-F149 HydrophobicContact CD2-CE1 3.32Å; L126-F149 HydrophobicContact CD2-CE2 4.23Å; L126-F149 HydrophobicContact CD2-CG 4.29Å; L126-F149 HydrophobicContact CD2-CZ 3.62Å; I135-F149 HydrophobicContact CG2-CD1 3.93Å; I135-F149 HydrophobicContact CG2-CE1 4.13Å; F149-Y154 HydrophobicContact CB-CE1 4.27Å; F149-Y154 HydrophobicContact CB-CE2 4.28Å
150P75.9Confident81.5Confident80 Ų8040 Ų4052%0.51922%0.222SC..  trans-63.6161.5173.523.7-30.4000111.5G152 Y154P150-G152 PolarHBondContact O-N 3.16Å; P150-Y154 VanDerWaalsContact CD-OH 3.25Å; P150-Y154 WeakPolarHBondContact CD-OH 3.3Å; P150-Y154 WeakPolarHBondContact CG-OH 3.35Å; P150-Y154 WeakPolarHBondContact O-CE2 3.47Å; P150-Y154 PolarHBondContact O-OH 2.67Å
151P77.8Confident81.1Confident80 Ų8044.9 Ų44.952%0.51925%0.248SC..SBendtrans-56.7132.3173.6-24.434.1000111.5V172P151-V172 CarbonylContact C-O 3.6Å; P151-V172 VanDerWaalsContact CA-O 3.25Å; P151-V172 WeakPolarHBondContact CA-O 3.38Å
152G80.3Confident81.1Confident15 Ų1546.5 Ų46.516%0.15527%0.271CS..EExtended strand (participates in β ladder)trans161.8179.7-175.100000113.5P150 Y154 V172P150-G152 PolarHBondContact O-N 3.16Å; G152-Y154 WeakPolarHBondContact O-CD2 3.38Å; G152-Y154 WeakPolarHBondContact O-CE2 3.3Å; G152-V172 PolarHBondContact N-O 3.23Å; G152-V172 PolarHBondContact O-N 3.13Å
153T83.4Confident81.6Confident27 Ų2746.1 Ų46.117%0.16628%0.276CS..EExtended strand (participates in β ladder)trans-100.3131.7178.7-48.50000111N128 V129 D130 Q169 Y170 I171N128-T153 WeakPolarHBondContact CA-O 3.32Å; V129-T153 HydrophobicContact CB-CG2 4.27Å; V129-T153 HydrophobicContact CG2-CG2 4Å; V129-T153 PolarHBondContact N-O 3.35Å; D130-T153 PolarHBondContact OD2-N 2.95Å; T153-Q169 HydrophobicContact CG2-CB 3.9Å; T153-Q169 HydrophobicContact CG2-CG 4.26Å; T153-Y170 CarbonylContact C-O 3.46Å; T153-Y170 WeakPolarHBondContact CA-O 3.38Å; T153-I171 HydrophobicContact CG2-CG1 4.4Å
154Y88.2Confident82.1Confident0 Ų047 Ų470%028%0.281CS..EExtended strand (participates in β ladder)trans-127.1148.5-174.1-65.1-92.7000112.1I113 L126 V127 N128 I135 F149 P150 G152 Q169 Y170 V172I113-Y154 HydrophobicContact CD1-CD1 4.37Å; I113-Y154 HydrophobicContact CD1-CD2 4.35Å; I113-Y154 HydrophobicContact CD1-CG 3.97Å; L126-Y154 HydrophobicContact CD1-CD1 4.38Å; L126-Y154 HydrophobicContact CD2-CD1 3.99Å; L126-Y154 HydrophobicContact CD2-CE1 4.49Å; L126-Y154 HydrophobicContact CG-CD1 4.07Å; V127-Y154 CarbonylContact O-C 3.58Å; V127-Y154 WeakPolarHBondContact O-CA 3.46Å; N128-Y154 HydrophobicContact CB-CD1 4.12Å; N128-Y154 HydrophobicContact CB-CE1 3.88Å; I135-Y154 HydrophobicContact CG1-CE1 4.08Å; F149-Y154 HydrophobicContact CB-CE1 4.27Å; F149-Y154 HydrophobicContact CB-CE2 4.28Å; P150-Y154 VanDerWaalsContact CD-OH 3.25Å; P150-Y154 WeakPolarHBondContact CD-OH 3.3Å; P150-Y154 WeakPolarHBondContact CG-OH 3.35Å; P150-Y154 WeakPolarHBondContact O-CE2 3.47Å; P150-Y154 PolarHBondContact O-OH 2.67Å; G152-Y154 WeakPolarHBondContact O-CD2 3.38Å; G152-Y154 WeakPolarHBondContact O-CE2 3.3Å; Y154-Q169 WeakPolarHBondContact O-CA 3.42Å; Y154-Y170 PolarHBondContact N-O 2.84Å; Y154-Y170 PolarHBondContact O-N 2.85Å; Y154-V172 HydrophobicContact CD2-CB 4.22Å; Y154-V172 HydrophobicContact CD2-CG2 3.59Å; Y154-V172 HydrophobicContact CE2-CB 3.97Å; Y154-V172 HydrophobicContact CE2-CG2 3.72Å
155V90.4Very high82.1Confident15 Ų1549 Ų499%0.09129%0.29CS..EExtended strand (participates in β ladder)trans-135.8147171.4-67.60000110.2V127 V129 T166 Q169V127-V155 HydrophobicContact CB-CG2 4.08Å; V127-V155 PolarHBondContact N-O 2.82Å; V127-V155 PolarHBondContact O-N 3.49Å; V129-V155 HydrophobicContact CG2-CB 4.38Å; V129-V155 HydrophobicContact CG2-CG1 3.71Å; V129-V155 HydrophobicContact CG2-CG2 3.98Å; V155-T166 HydrophobicContact CB-CG2 3.95Å; V155-T166 HydrophobicContact CG1-CG2 4.43Å; V155-T166 HydrophobicContact CG2-CG2 4.07Å; V155-Q169 HydrophobicContact CG1-CB 4.34Å; V155-Q169 HydrophobicContact CG1-CG 3.72Å
156C89.7Confident82Confident0 Ų052.6 Ų52.60%031%0.313CS..EExtended strand (participates in β ladder)trans-99.1139.7172.7-62.90000110.5F96 C115 V124 T125 L126 T166 S167F96-C156 HydrophobicContact CE1-CB 3.76Å; F96-C156 HydrophobicContact CZ-CB 3.95Å; F96-C156 VanDerWaalsContact CZ-O 3.28Å; F96-C156 WeakPolarHBondContact CZ-O 3.37Å; C115-C156 HydrophobicContact CB-CB 3.46Å; C115-C156 VanDerWaalsContact CB-CB 3.46Å; C115-C156 WeakPolarHBondContact CB-SG 3.49Å; C115-C156 WeakPolarHBondContact SG-CB 3.35Å; C115-C156 CovalentContact SG-SG 2.02Å; C115-C156 PolarHBondContact SG-SG 3.49Å; V124-C156 HydrophobicContact CG1-CB 3.88Å; T125-C156 CarbonylContact O-C 3.56Å; T125-C156 WeakPolarHBondContact O-CA 3.5Å; L126-C156 VanDerWaalsContact CD1-SG 3.53Å; C156-T166 CarbonylContact O-C 3.59Å; C156-T166 WeakPolarHBondContact O-CA 3.32Å; C156-S167 PolarHBondContact N-OG 2.9Å; C156-S167 PolarHBondContact O-N 2.84Å; C156-S167 PolarHBondContact O-OG 2.92Å
157K88.9Confident82Confident49 Ų4952.3 Ų52.321%0.21331%0.313CS..EExtended strand (participates in β ladder)trans-118.5120.3177.4-70.3-174.3167.5-151.90110.3V124 T125 V127 E164 H165 T166V124-K157 CarbonylContact C-O 3.59Å; V124-K157 VanDerWaalsContact CA-O 3.27Å; V124-K157 WeakPolarHBondContact CA-O 3.34Å; T125-K157 PolarHBondContact N-O 2.84Å; T125-K157 PolarHBondContact O-N 2.82Å; T125-K157 PolarHBondContact OG1-O 2.95Å; V127-K157 HydrophobicContact CG2-CD 3.96Å; V127-K157 HydrophobicContact CG2-CG 4.31Å; K157-E164 HydrophobicContact CB-CG 4.41Å; K157-E164 HydrophobicContact CD-CG 4.44Å; K157-E164 IonicContact NZ-OE1 3.72Å; K157-E164 IonicContact NZ-OE2 2.74Å; K157-E164 PolarHBondContact NZ-OE2 3Å; K157-H165 CarbonylContact C-O 3.56Å; K157-H165 VanDerWaalsContact CA-O 3.3Å; K157-H165 WeakPolarHBondContact CA-O 3.45Å; K157-T166 HydrophobicContact CG-CG2 4.28Å
158A87.3Confident81.9Confident0 Ų056.8 Ų56.80%033%0.329CS..EExtended strand (participates in β ladder)trans-110.5138.1-179.700000110.8V95 F96 V117 T123 V124 H165V95-A158 HydrophobicContact CG1-CB 3.75Å; F96-A158 HydrophobicContact CE1-CB 4.14Å; F96-A158 HydrophobicContact CE2-CB 3.86Å; F96-A158 HydrophobicContact CZ-CB 3.46Å; F96-A158 VanDerWaalsContact CZ-CB 3.46Å; V117-A158 HydrophobicContact CG1-CB 3.91Å; T123-A158 WeakPolarHBondContact O-CA 3.49Å; V124-A158 HydrophobicContact CG2-CB 3.96Å; A158-H165 PolarHBondContact N-O 2.85Å; A158-H165 PolarHBondContact O-N 2.85Å
159I82.6Confident82.1Confident86 Ų8655.5 Ų55.544%0.44132%0.32SS..EExtended strand (participates in β ladder)trans-105.7114.1174.6-57.6172.9000108.8T123 V163T123-I159 PolarHBondContact O-N 3.21Å; I159-V163 WeakPolarHBondContact CA-O 3.43Å
160V75.5Confident82.2Confident25 Ų2555.6 Ų55.615%0.15232%0.32CS..EExtended strand (participates in β ladder)trans-125.2126.4177.7-177.80000108.6V95 A122 G162 V163V95-V160 HydrophobicContact CG1-CG2 3.6Å; V95-V160 HydrophobicContact CG2-CB 4.46Å; V95-V160 HydrophobicContact CG2-CG2 4.16Å; A122-V160 HydrophobicContact CB-CG2 3.78Å; V160-G162 PolarHBondContact O-N 2.81Å; V160-V163 PolarHBondContact N-O 2.84Å; V160-V163 PolarHBondContact O-N 2.8Å
161N71.4Confident82.3Confident159 Ų15954.9 Ų54.985%0.8531%0.311SS*.THydrogen-bonded Turntrans51.727.5-178.2-62.6-32.6000115.1
162G70.3Confident82.3Confident71 Ų7151.2 Ų51.273%0.73229%0.287SS*.THydrogen-bonded Turntrans84.46-179.900000115.4V160V160-G162 PolarHBondContact O-N 2.81Å
163V77.4Confident81.8Confident83 Ų8354.2 Ų54.250%0.50329%0.294SS..EExtended strand (participates in β ladder)trans-107.7135.6174.2-175.90000109.3I159 V160 H165I159-V163 WeakPolarHBondContact CA-O 3.43Å; V160-V163 PolarHBondContact N-O 2.84Å; V160-V163 PolarHBondContact O-N 2.8Å; V163-H165 WeakPolarHBondContact CG1-NE2 3.24Å; V163-H165 PolarHBondContact O-CD2 3.03Å
164E82.8Confident80.7Confident107 Ų10760.3 Ų60.350%0.532%0.321SS..EExtended strand (participates in β ladder)trans-88127.4176.9-177.9177.9-86.800110.1K157K157-E164 HydrophobicContact CB-CG 4.41Å; K157-E164 HydrophobicContact CD-CG 4.44Å; K157-E164 IonicContact NZ-OE1 3.72Å; K157-E164 IonicContact NZ-OE2 2.74Å; K157-E164 PolarHBondContact NZ-OE2 3Å
165H83Confident79.1Confident42 Ų4262.8 Ų62.819%0.19434%0.338CS..EExtended strand (participates in β ladder)trans-117.9144174.7-63.8-98.5000109.3P92 V95 F96 K157 A158 V163P92-H165 PolarHBondContact O-CE1 2.86Å; P92-H165 PolarHBondContact O-ND1 2.82Å; V95-H165 HydrophobicContact CB-CB 4.04Å; V95-H165 HydrophobicContact CG1-CB 4.38Å; V95-H165 HydrophobicContact CG2-CB 4.03Å; F96-H165 HydrophobicContact CE2-CB 4.46Å; K157-H165 CarbonylContact C-O 3.56Å; K157-H165 VanDerWaalsContact CA-O 3.3Å; K157-H165 WeakPolarHBondContact CA-O 3.45Å; A158-H165 PolarHBondContact N-O 2.85Å; A158-H165 PolarHBondContact O-N 2.85Å; V163-H165 WeakPolarHBondContact CG1-NE2 3.24Å; V163-H165 PolarHBondContact O-CD2 3.03Å
166T84.9Confident77.4Confident77 Ų7767.2 Ų67.247%0.47236%0.36SS..EExtended strand (participates in β ladder)trans-116.8139.8-178.7-51.50000110.3V155 C156 K157V155-T166 HydrophobicContact CB-CG2 3.95Å; V155-T166 HydrophobicContact CG1-CG2 4.43Å; V155-T166 HydrophobicContact CG2-CG2 4.07Å; C156-T166 CarbonylContact O-C 3.59Å; C156-T166 WeakPolarHBondContact O-CA 3.32Å; K157-T166 HydrophobicContact CG-CG2 4.28Å
167S85.9Confident75.7Confident16 Ų1674.3 Ų74.311%0.11240%0.398CS..  trans-76.4177.5177.173.60000112.8C156C156-S167 PolarHBondContact N-OG 2.9Å; C156-S167 PolarHBondContact O-N 2.84Å; C156-S167 PolarHBondContact O-OG 2.92Å
168E80.9Confident74.5Confident112 Ų11276.8 Ų76.852%0.52342%0.417SS..  trans-63.5165.5162.1-59.7-164.4170.500111.9N102 Y170N102-E168 PolarHBondContact ND2-OE2 3.14Å; E168-Y170 WeakPolarHBondContact O-CD2 3.24Å; E168-Y170 WeakPolarHBondContact O-CE2 3.41Å
169Q85.4Confident74Confident118 Ų11877 Ų7755%0.55142%0.418SS*.  trans-84.1131.5-179.9-65.8178.713.700111T153 Y154 V155T153-Q169 HydrophobicContact CG2-CB 3.9Å; T153-Q169 HydrophobicContact CG2-CG 4.26Å; Y154-Q169 WeakPolarHBondContact O-CA 3.42Å; V155-Q169 HydrophobicContact CG1-CB 4.34Å; V155-Q169 HydrophobicContact CG1-CG 3.72Å
170Y83.1Confident74.1Confident5 Ų576.6 Ų76.62%0.0241%0.414CS..EExtended strand (participates in β ladder)trans-110128.1175.5-59.9-85.1000109.9N102 I113 P114 C115 T153 Y154 E168N102-Y170 CarbonylContact O-C 3.55Å; N102-Y170 WeakPolarHBondContact O-CA 3.28Å; I113-Y170 HydrophobicContact CG2-CD1 4.26Å; I113-Y170 HydrophobicContact CG2-CD2 3.64Å; I113-Y170 HydrophobicContact CG2-CE2 4.17Å; I113-Y170 HydrophobicContact CG2-CG 3.7Å; P114-Y170 HydrophobicContact CG-CD1 4.4Å; P114-Y170 HydrophobicContact CG-CE1 3.95Å; C115-Y170 HydrophobicContact CB-CE2 3.69Å; T153-Y170 CarbonylContact C-O 3.46Å; T153-Y170 WeakPolarHBondContact CA-O 3.38Å; Y154-Y170 PolarHBondContact N-O 2.84Å; Y154-Y170 PolarHBondContact O-N 2.85Å; E168-Y170 WeakPolarHBondContact O-CD2 3.24Å; E168-Y170 WeakPolarHBondContact O-CE2 3.41Å
171I78.9Confident74.7Confident65 Ų6575.4 Ų75.433%0.33341%0.407SS..EExtended strand (participates in β ladder)trans-104.3114.1-177.9-59.7168.7000108.7N102 V104 T153N102-I171 PolarHBondContact O-N 3.44Å; V104-I171 PolarHBondContact N-O 3.22Å; T153-I171 HydrophobicContact CG2-CG1 4.4Å
172V78.3Confident75.6Confident3 Ų372.5 Ų72.52%0.01839%0.388CS..EExtended strand (participates in β ladder)trans-92.1125.1174.5-178.40000108.9V104 V106 I111 I113 P151 G152 Y154V104-V172 HydrophobicContact CB-CG2 4.26Å; V104-V172 VanDerWaalsContact O-CA 3.27Å; V104-V172 WeakPolarHBondContact O-CA 3.47Å; V106-V172 HydrophobicContact CG2-CG1 3.55Å; I111-V172 HydrophobicContact CD1-CG1 4.42Å; I113-V172 HydrophobicContact CD1-CG2 4.32Å; P151-V172 CarbonylContact C-O 3.6Å; P151-V172 VanDerWaalsContact CA-O 3.25Å; P151-V172 WeakPolarHBondContact CA-O 3.38Å; G152-V172 PolarHBondContact N-O 3.23Å; G152-V172 PolarHBondContact O-N 3.13Å; Y154-V172 HydrophobicContact CD2-CB 4.22Å; Y154-V172 HydrophobicContact CD2-CG2 3.59Å; Y154-V172 HydrophobicContact CE2-CB 3.97Å; Y154-V172 HydrophobicContact CE2-CG2 3.72Å
173Y69.1Low76.7Confident78 Ų7870.6 Ų70.631%0.30636%0.362SS..EExtended strand (participates in β ladder)trans-140.6154.2-178.765.3-79.3000112.7H103 V104 P105 V106H103-Y173 HydrophobicContact CB-CE1 3.83Å; V104-Y173 PolarHBondContact O-N 3.26Å; V104-Y173 VanDerWaalsContact O-N 3.16Å; P105-Y173 WeakPolarHBondContact CA-O 3.41Å; V106-Y173 PolarHBondContact N-O 3.1Å
174E60.8Low77.4Confident155 Ų15569.7 Ų69.772%0.72436%0.359SS*.  trans-80.8119.8175.6-162.1170.5-161.500109.1I176E174-I176 PolarHBondContact O-N 3.43Å
175S54.8Low77.7Confident52 Ų5265.9 Ų65.936%0.36435%0.346SS..  trans-77.3121.9-178.2-169.20000111D177S175-D177 PolarHBondContact OG-OD1 2.69Å
176I54.2Low77.8Confident108 Ų10872.2 Ų72.255%0.55437%0.372SS*.  trans-10294.9163.4-56.5175.8000106.9E174 V178E174-I176 PolarHBondContact O-N 3.43Å; I176-V178 VanDerWaalsContact C-N 3.26Å; I176-V178 PolarHBondContact O-N 3.34Å
177D54.8Low77.8Confident149 Ų14974.6 Ų74.680%0.79737%0.373SS*.  trans-76-2.1-173.9-97-19.4000115S175S175-D177 PolarHBondContact OG-OD1 2.69Å
178V62.6Low77.9Confident101 Ų10176.1 Ų76.161%0.61238%0.382SS*.  trans-111.6119-169.9-173.10000111.9I176I176-V178 VanDerWaalsContact C-N 3.26Å; I176-V178 PolarHBondContact O-N 3.34Å
179L77.8Confident78.2Confident4 Ų471 Ų712%0.02136%0.358CS..  trans-64.1130.2167.6179.365.3000108.9V181 Q203 L208 I256 A258 D263 Q265L179-V181 HydrophobicContact CD1-CG2 4.47Å; L179-V181 HydrophobicContact CG-CG2 4.38Å; L179-Q203 CarbonylContact C-O 3.58Å; L179-Q203 WeakPolarHBondContact CA-O 3.49Å; L179-L208 HydrophobicContact CD1-CD1 4.41Å; L179-L208 HydrophobicContact CD1-CD2 3.73Å; L179-I256 HydrophobicContact CD1-CG2 4.2Å; L179-A258 HydrophobicContact CD2-CB 4.42Å; L179-D263 HydrophobicContact CD2-CB 4.38Å; L179-Q265 HydrophobicContact CD2-CB 4.2Å; L179-Q265 HydrophobicContact CD2-CG 4.15Å; L179-Q265 HydrophobicContact CG-CG 4.4Å; L179-Q265 VanDerWaalsContact O-CD 3.31Å; L179-Q265 PolarHBondContact O-NE2 2.86Å
180H83.3Confident78.4Confident78 Ų7865.6 Ų65.636%0.36133%0.333SS..EExtended strand (participates in β ladder)trans-132.4129.2175.3-179.261.9000110.1E182 A202 Q203H180-E182 IonicContact CD2-OE1 2.73Å; H180-E182 IonicContact CE1-OE1 3.68Å; H180-E182 VanDerWaalsContact NE2-CG 3.32Å; H180-E182 WeakPolarHBondContact NE2-CG 3.25Å; H180-E182 IonicContact NE2-OE1 2.71Å; H180-E182 PolarHBondContact NE2-OE1 3.01Å; H180-A202 WeakPolarHBondContact O-CA 2.98Å; H180-Q203 HydrophobicContact CB-CB 4.41Å; H180-Q203 PolarHBondContact N-O 3.34Å; H180-Q203 PolarHBondContact O-N 2.95Å
181V88.2Confident78.6Confident0 Ų067.1 Ų67.10%034%0.342CS..EExtended strand (participates in β ladder)trans-126127.7-177.9-1770000110.4L179 L201 I256 Q265 K267L179-V181 HydrophobicContact CD1-CG2 4.47Å; L179-V181 HydrophobicContact CG-CG2 4.38Å; V181-L201 CarbonylContact C-O 3.53Å; V181-L201 WeakPolarHBondContact CA-O 2.95Å; V181-I256 HydrophobicContact CB-CG1 4.48Å; V181-I256 HydrophobicContact CG1-CG1 3.86Å; V181-I256 HydrophobicContact CG2-CB 3.65Å; V181-I256 HydrophobicContact CG2-CG1 3.7Å; V181-I256 HydrophobicContact CG2-CG2 4.45Å; V181-Q265 HydrophobicContact CB-CB 4.11Å; V181-Q265 HydrophobicContact CG2-CB 3.63Å; V181-K267 HydrophobicContact CB-CG 4.29Å; V181-K267 HydrophobicContact CG1-CG 4.04Å; V181-K267 WeakPolarHBondContact O-CE 3.26Å; V181-K267 WeakPolarHBondContact O-CG 3.38Å
182E90.8Very high79.1Confident98 Ų9867.7 Ų67.746%0.45835%0.348SS..EExtended strand (participates in β ladder)trans-119.7141.2174.4-63.4-177174.100110.6H180 C200 L201H180-E182 IonicContact CD2-OE1 2.73Å; H180-E182 IonicContact CE1-OE1 3.68Å; H180-E182 VanDerWaalsContact NE2-CG 3.32Å; H180-E182 WeakPolarHBondContact NE2-CG 3.25Å; H180-E182 IonicContact NE2-OE1 2.71Å; H180-E182 PolarHBondContact NE2-OE1 3.01Å; E182-C200 CarbonylContact O-C 3.55Å; E182-C200 VanDerWaalsContact O-CA 3.24Å; E182-C200 WeakPolarHBondContact O-CA 3.32Å; E182-L201 HydrophobicContact CB-CB 4.36Å; E182-L201 PolarHBondContact N-O 3.4Å; E182-L201 PolarHBondContact O-N 2.82Å
183L92.8Very high79.5Confident32 Ų3269.6 Ų69.617%0.16837%0.368CS..EExtended strand (participates in β ladder)trans-126.4129.7178.7-171.169.4000109.9V198 N199 C200 W212 C254 K267 I269L183-V198 HydrophobicContact CD1-CG1 3.64Å; L183-V198 HydrophobicContact CG-CG1 4.12Å; L183-N199 CarbonylContact C-O 3.45Å; L183-N199 WeakPolarHBondContact CA-O 3.43Å; L183-C200 HydrophobicContact CD1-CB 3.69Å; L183-W212 HydrophobicContact CD1-CH2 3.55Å; L183-W212 HydrophobicContact CD1-CZ3 3.78Å; L183-C254 HydrophobicContact CD1-CB 3.71Å; L183-C254 HydrophobicContact CD2-CB 4.45Å; L183-K267 HydrophobicContact CB-CB 3.67Å; L183-K267 HydrophobicContact CD2-CB 4.27Å; L183-K267 WeakPolarHBondContact CD2-O 3.43Å; L183-I269 HydrophobicContact CD2-CB 4.06Å; L183-I269 HydrophobicContact CD2-CG2 3.72Å; L183-I269 HydrophobicContact CG-CG2 4.15Å
184S92.5Very high80.5Confident64 Ų6468.8 Ų68.845%0.44837%0.368SS..EExtended strand (participates in β ladder)trans-139.4151.3179.657.90000111V198 N199S184-V198 CarbonylContact O-C 3.56Å; S184-V198 WeakPolarHBondContact O-CA 2.87Å; S184-V198 WeakPolarHBondContact O-CG1 3.3Å; S184-N199 PolarHBondContact N-O 3.45Å; S184-N199 PolarHBondContact O-N 2.77Å
185A90.5Very high82Confident27 Ų2765 Ų6522%0.22336%0.355CS..EExtended strand (participates in β ladder)trans-125.7150.2173.200000110.2R187 T197 V198 I269 I271A185-R187 VanDerWaalsContact C-N 3.33Å; A185-R187 PolarHBondContact O-N 3.05Å; A185-T197 WeakPolarHBondContact CA-O 3.43Å; A185-V198 HydrophobicContact CB-CG2 4.31Å; A185-I269 HydrophobicContact CB-CD1 3.76Å; A185-I271 HydrophobicContact CB-CD1 4.14Å
186K84.6Confident83.8Confident174 Ų17462.6 Ų62.676%0.75734%0.338SS*.SBendtrans-67.1-34.9-180-173.2177.6178.7-177.90112.7T197K186-T197 PolarHBondContact N-O 2.94Å; K186-T197 VanDerWaalsContact N-O 3.1Å
187R84.6Confident85.6Confident127 Ų12759.1 Ų59.148%0.47932%0.322SS..  trans-150.5145.3173.5-68.3-174.2177.3170.9-5.7108.4A185 L190 E194A185-R187 VanDerWaalsContact C-N 3.33Å; A185-R187 PolarHBondContact O-N 3.05Å; R187-L190 HydrophobicContact CB-CD1 4.35Å; R187-L190 HydrophobicContact CB-CG 4.27Å; R187-E194 IonicContact NH1-OE1 3.14Å; R187-E194 PolarHBondContact NH1-OE1 2.85Å; R187-E194 VanDerWaalsContact NH1-OE1 3.16Å
188T87Confident87.5Confident49 Ų4952 Ų5230%0.30128%0.284SS..SBendtrans-101.7-20.8176.459.70000112.5I269 I271 Q272 E336T188-I269 HydrophobicContact CG2-CD1 4.09Å; T188-I269 HydrophobicContact CG2-CG1 4.37Å; T188-I271 CarbonylContact O-C 3.54Å; T188-I271 WeakPolarHBondContact O-CA 3.37Å; T188-Q272 PolarHBondContact O-N 2.87Å; T188-E336 PolarHBondContact N-OE1 2.89Å; T188-E336 PolarHBondContact N-OE2 3.3Å; T188-E336 VanDerWaalsContact N-OE2 3.13Å; T188-E336 PolarHBondContact OG1-OE1 3.11Å
189A88.1Confident88.9Confident4 Ų449.6 Ų49.63%0.03327%0.267CS..EExtended strand (participates in β ladder)trans-112.5127.8169.900000110.7Q272 F274 F306 E336 T337A189-Q272 WeakPolarHBondContact CA-O 3.32Å; A189-F274 HydrophobicContact CB-CD2 4.45Å; A189-F274 HydrophobicContact CB-CE2 3.83Å; A189-F306 HydrophobicContact CB-CD2 4.31Å; A189-F306 HydrophobicContact CB-CE2 3.85Å; A189-F306 HydrophobicContact CB-CZ 4.11Å; A189-F306 WeakPolarHBondContact O-CZ 3.43Å; A189-E336 HydrophobicContact CB-CB 3.9Å; A189-E336 WeakPolarHBondContact CB-OE2 3.18Å; A189-E336 PolarHBondContact N-OE2 3.06Å; A189-T337 HydrophobicContact CB-CG2 3.63Å
190L88.8Confident89.5Confident5 Ų549.4 Ų49.43%0.02627%0.266CS..EExtended strand (participates in β ladder)trans-135.5154.8-179.7-63.998.5000112.1R187 E194 T195 I196 I271 Q272 V273 F274R187-L190 HydrophobicContact CB-CD1 4.35Å; R187-L190 HydrophobicContact CB-CG 4.27Å; L190-E194 VanDerWaalsContact CA-OE2 3.25Å; L190-E194 WeakPolarHBondContact CA-OE2 3.39Å; L190-E194 HydrophobicContact CB-CB 4.27Å; L190-E194 WeakPolarHBondContact CB-OE2 3.46Å; L190-E194 HydrophobicContact CD2-CB 3.84Å; L190-T195 WeakPolarHBondContact CD2-O 3.34Å; L190-I196 HydrophobicContact CD1-CG1 4.11Å; L190-I196 HydrophobicContact CD2-CG1 4.07Å; L190-I271 HydrophobicContact CD1-CG2 3.57Å; L190-Q272 PolarHBondContact N-O 3.31Å; L190-V273 CarbonylContact O-C 3.56Å; L190-V273 VanDerWaalsContact O-CA 3.29Å; L190-V273 WeakPolarHBondContact O-CA 3.45Å; L190-F274 PolarHBondContact O-N 3.11Å
191L88.4Confident89.8Confident37 Ų3748.1 Ų48.119%0.19426%0.262CS..EExtended strand (participates in β ladder)trans-85.9154.5166.7-70-179.2000110.8G193 E194 F274 E277 F306L191-G193 PolarHBondContact O-N 3.2Å; L191-E194 HydrophobicContact CB-CG 4.33Å; L191-E194 PolarHBondContact N-OE2 2.91Å; L191-E194 WeakPolarHBondContact O-CB 3.48Å; L191-E194 PolarHBondContact O-N 3.26Å; L191-E194 VanDerWaalsContact O-N 3.14Å; L191-F274 HydrophobicContact CD2-CB 4.3Å; L191-E277 HydrophobicContact CD1-CG 4.31Å; L191-F306 HydrophobicContact CB-CE1 4.48Å; L191-F306 HydrophobicContact CD2-CD1 3.65Å; L191-F306 HydrophobicContact CD2-CE1 3.65Å; L191-F306 HydrophobicContact CG-CD1 4.04Å; L191-F306 HydrophobicContact CG-CE1 3.57Å
192V89.9Confident89.8Confident76 Ų7648.1 Ų48.146%0.46126%0.262SS..THydrogen-bonded Turntrans-54130170.9170.70000110A244 T246 V273 F274V192-A244 WeakPolarHBondContact CA-O 3.35Å; V192-T246 HydrophobicContact CG2-CG2 4Å; V192-V273 HydrophobicContact CG2-CG1 4Å; V192-F274 WeakPolarHBondContact CG2-O 3.21Å; V192-F274 PolarHBondContact N-O 2.96Å
193G86.8Confident89.5Confident44 Ų4445.5 Ų45.545%0.45425%0.25SC..THydrogen-bonded Turntrans98.4-15-178.800000114.9L191 A244L191-G193 PolarHBondContact O-N 3.2Å; G193-A244 PolarHBondContact N-O 2.67Å
194E89.6Confident88.4Confident61 Ų6144.8 Ų44.829%0.28525%0.25SC..PPolyproline II helixtrans-73.9168.2174.3-64.6-167.912400112.4R187 L190 L191 Q243 A244R187-E194 IonicContact NH1-OE1 3.14Å; R187-E194 PolarHBondContact NH1-OE1 2.85Å; R187-E194 VanDerWaalsContact NH1-OE1 3.16Å; L190-E194 VanDerWaalsContact CA-OE2 3.25Å; L190-E194 WeakPolarHBondContact CA-OE2 3.39Å; L190-E194 HydrophobicContact CB-CB 4.27Å; L190-E194 WeakPolarHBondContact CB-OE2 3.46Å; L190-E194 HydrophobicContact CD2-CB 3.84Å; L191-E194 HydrophobicContact CB-CG 4.33Å; L191-E194 PolarHBondContact N-OE2 2.91Å; L191-E194 WeakPolarHBondContact O-CB 3.48Å; L191-E194 PolarHBondContact O-N 3.26Å; L191-E194 VanDerWaalsContact O-N 3.14Å; E194-Q243 PolarHBondContact O-N 3.1Å; E194-A244 WeakPolarHBondContact O-CB 3.14Å; E194-A244 PolarHBondContact O-N 2.9Å
195T91.1Very high87Confident74 Ų7443.5 Ų43.545%0.45424%0.24SC..PPolyproline II helixtrans-101.5124.9-179.1-60.60000110.6L190 T240 I241L190-T195 WeakPolarHBondContact CD2-O 3.34Å; T195-T240 HydrophobicContact CG2-CG2 3.58Å; T195-I241 WeakPolarHBondContact CA-O 3.42Å
196I93.1Very high85.5Confident2 Ų251 Ų511%0.0126%0.264CS..EExtended strand (participates in β ladder)trans-82.8131.9173.1-61.8165.9000108.5L190 V198 T240 I241 A244 D248 Y252 I271 V273L190-I196 HydrophobicContact CD1-CG1 4.11Å; L190-I196 HydrophobicContact CD2-CG1 4.07Å; I196-V198 HydrophobicContact CG2-CG2 3.99Å; I196-T240 CarbonylContact O-C 3.54Å; I196-T240 VanDerWaalsContact O-CA 3.31Å; I196-T240 WeakPolarHBondContact O-CA 3.04Å; I196-I241 HydrophobicContact CB-CB 4.2Å; I196-I241 PolarHBondContact N-O 2.99Å; I196-I241 PolarHBondContact O-N 2.85Å; I196-A244 HydrophobicContact CD1-CB 3.77Å; I196-A244 HydrophobicContact CG1-CB 3.85Å; I196-D248 HydrophobicContact CD1-CB 4.04Å; I196-Y252 WeakPolarHBondContact CD1-OH 3.33Å; I196-Y252 HydrophobicContact CG2-CE1 4.21Å; I196-I271 HydrophobicContact CD1-CG2 4.33Å; I196-I271 HydrophobicContact CG1-CG2 4.41Å; I196-I271 HydrophobicContact CG2-CD1 3.64Å; I196-I271 HydrophobicContact CG2-CG2 4.46Å; I196-V273 HydrophobicContact CD1-CG2 4.02Å
197T92.4Very high84.3Confident36 Ų3647 Ų4722%0.22125%0.25CS..EExtended strand (participates in β ladder)trans-134.7120.8175.4-51.90000109.8A185 K186 T238 L239A185-T197 WeakPolarHBondContact CA-O 3.43Å; K186-T197 PolarHBondContact N-O 2.94Å; K186-T197 VanDerWaalsContact N-O 3.1Å; T197-T238 HydrophobicContact CG2-CG2 3.74Å; T197-L239 WeakPolarHBondContact CA-O 3.32Å
198V93.9Very high83.6Confident0 Ų042 Ų420%023%0.233CC..EExtended strand (participates in β ladder)trans-123.9129.8-179.6-167.90000109.1L183 S184 A185 I196 W212 T238 L239 Y252 I269 I271L183-V198 HydrophobicContact CD1-CG1 3.64Å; L183-V198 HydrophobicContact CG-CG1 4.12Å; S184-V198 CarbonylContact O-C 3.56Å; S184-V198 WeakPolarHBondContact O-CA 2.87Å; S184-V198 WeakPolarHBondContact O-CG1 3.3Å; A185-V198 HydrophobicContact CB-CG2 4.31Å; I196-V198 HydrophobicContact CG2-CG2 3.99Å; V198-W212 HydrophobicContact CB-CH2 4.22Å; V198-W212 HydrophobicContact CB-CZ3 4.19Å; V198-W212 HydrophobicContact CG1-CH2 3.89Å; V198-W212 HydrophobicContact CG1-CZ3 3.81Å; V198-T238 CarbonylContact O-C 3.52Å; V198-T238 WeakPolarHBondContact O-CA 3.33Å; V198-L239 HydrophobicContact CB-CB 4.43Å; V198-L239 PolarHBondContact N-O 3.03Å; V198-L239 PolarHBondContact O-N 2.01Å; V198-Y252 HydrophobicContact CG2-CD1 3.93Å; V198-Y252 HydrophobicContact CG2-CE1 4.42Å; V198-Y252 HydrophobicContact CG2-CG 4.36Å; V198-I269 HydrophobicContact CG1-CG2 4.07Å; V198-I271 HydrophobicContact CG2-CD1 3.52Å
199N93Very high83.1Confident49 Ų4945.8 Ų45.826%0.26225%0.247SC..EExtended strand (participates in β ladder)trans-113.7126-177.2-71.7-24.3000109.7L183 S184 L236 Y237 T238L183-N199 CarbonylContact C-O 3.45Å; L183-N199 WeakPolarHBondContact CA-O 3.43Å; S184-N199 PolarHBondContact N-O 3.45Å; S184-N199 PolarHBondContact O-N 2.77Å; N199-L236 HydrophobicContact CB-CD1 4.08Å; N199-Y237 CarbonylContact C-O 3.55Å; N199-Y237 WeakPolarHBondContact CA-O 3.32Å; N199-T238 WeakPolarHBondContact OD1-CB 3.39Å; N199-T238 WeakPolarHBondContact OD1-CG2 3.39Å; N199-T238 PolarHBondContact OD1-OG1 3.31Å
200C91Very high82.8Confident0 Ų047.2 Ų47.20%025%0.254CS..EExtended strand (participates in β ladder)trans-115.7112.6173.7-175.40000108.6E182 L183 W212 Y237 C254E182-C200 CarbonylContact O-C 3.55Å; E182-C200 VanDerWaalsContact O-CA 3.24Å; E182-C200 WeakPolarHBondContact O-CA 3.32Å; L183-C200 HydrophobicContact CD1-CB 3.69Å; C200-W212 HydrophobicContact CB-CH2 3.54Å; C200-W212 HydrophobicContact CB-CZ2 3.28Å; C200-Y237 PolarHBondContact N-O 3.09Å; C200-Y237 PolarHBondContact O-N 2.9Å; C200-C254 HydrophobicContact CB-CB 3.69Å; C200-C254 WeakPolarHBondContact CB-SG 3.25Å; C200-C254 WeakPolarHBondContact SG-CB 3.48Å; C200-C254 CovalentContact SG-SG 2.04Å; C200-C254 PolarHBondContact SG-SG 2.99Å
201L89.8Confident82.7Confident52 Ų5250.4 Ų50.427%0.27227%0.271SS..EExtended strand (participates in β ladder)trans-96.1125.8177.4-18068.5000108.4V181 E182 R234 L236V181-L201 CarbonylContact C-O 3.53Å; V181-L201 WeakPolarHBondContact CA-O 2.95Å; E182-L201 HydrophobicContact CB-CB 4.36Å; E182-L201 PolarHBondContact N-O 3.4Å; E182-L201 PolarHBondContact O-N 2.82Å; L201-R234 HydrophobicContact CD1-CB 4.27Å; L201-L236 HydrophobicContact CB-CD1 4.27Å; L201-L236 HydrophobicContact CD1-CB 4.37Å; L201-L236 HydrophobicContact CD1-CD1 4.36Å
202A86.9Confident82.7Confident0 Ų049.2 Ų49.20%026%0.264CS..EExtended strand (participates in β ladder)trans-117133.5176.200000110H180 L208 R234 I235 Y237 I256H180-A202 WeakPolarHBondContact O-CA 2.98Å; A202-L208 HydrophobicContact CB-CD1 3.71Å; A202-R234 WeakPolarHBondContact O-CA 3.4Å; A202-I235 PolarHBondContact N-O 2.83Å; A202-I235 PolarHBondContact O-N 2.8Å; A202-Y237 HydrophobicContact CB-CD2 4.48Å; A202-Y237 HydrophobicContact CB-CE2 3.99Å; A202-I256 HydrophobicContact CB-CD1 4.38Å; A202-I256 HydrophobicContact CB-CG1 4Å; A202-I256 HydrophobicContact CB-CG2 4.03Å
203Q84.8Confident82.7Confident43 Ų4351.2 Ų51.220%0.20127%0.267CS..EExtended strand (participates in β ladder)trans-124.3125.9174-176.1170.7-11.500108L179 H180 R234L179-Q203 CarbonylContact C-O 3.58Å; L179-Q203 WeakPolarHBondContact CA-O 3.49Å; H180-Q203 HydrophobicContact CB-CB 4.41Å; H180-Q203 PolarHBondContact N-O 3.34Å; H180-Q203 PolarHBondContact O-N 2.95Å; Q203-R234 HydrophobicContact CB-CG 4.15Å; Q203-R234 HydrophobicContact CG-CG 4.09Å; Q203-R234 VanDerWaalsContact OE1-NE 3.16Å
204G70.8Confident83Confident16 Ų1650.4 Ų50.417%0.16525%0.25CS..SBendtrans166.3-170.7-17300000112.9G233G204-G233 PolarHBondContact N-O 2.81Å
205P61.9Low83Confident37 Ų3749.8 Ų49.824%0.2425%0.251CS..SBendtrans-62.7162.4-175.325.1-34.1000113L207 L208 A258P205-L207 PolarHBondContact O-N 2.85Å; P205-L208 HydrophobicContact CG-CD2 4.46Å; P205-L208 WeakPolarHBondContact O-CG 3.45Å; P205-A258 HydrophobicContact CG-CB 4Å
206Y59.6Low82.7Confident185 Ų18546.5 Ų46.573%0.72523%0.232SC*.SBendtrans-59.9-6.5-166.4-65.5-79.5000116.3
207L59.5Low82.3Confident91 Ų9150.7 Ų50.748%0.47625%0.25SS..  trans-129.7101.4178.8-66.4169.5000110.8P205 V259P205-L207 PolarHBondContact O-N 2.85Å; L207-V259 HydrophobicContact CB-CB 3.72Å; L207-V259 HydrophobicContact CB-CG1 4.48Å; L207-V259 HydrophobicContact CB-CG2 3.89Å; L207-V259 WeakPolarHBondContact O-CG2 3.35Å; L207-V259 PolarHBondContact O-N 3.42Å
208L70.1Confident81.9Confident21 Ų2155 Ų5511%0.1128%0.279CS..EExtended strand (participates in β ladder)trans-119.1131.5176.9-56.8-179.9000110.4L179 A202 P205 I235 Y237 I256 T257 A258L179-L208 HydrophobicContact CD1-CD1 4.41Å; L179-L208 HydrophobicContact CD1-CD2 3.73Å; A202-L208 HydrophobicContact CB-CD1 3.71Å; P205-L208 HydrophobicContact CG-CD2 4.46Å; P205-L208 WeakPolarHBondContact O-CG 3.45Å; L208-I235 HydrophobicContact CB-CD1 4.5Å; L208-I235 HydrophobicContact CD1-CD1 4.25Å; L208-Y237 PolarHBondContact O-OH 2.65Å; L208-I256 HydrophobicContact CB-CG2 3.86Å; L208-I256 HydrophobicContact CD1-CG2 4.16Å; L208-I256 HydrophobicContact CD2-CG2 4.26Å; L208-I256 HydrophobicContact CG-CG2 4.31Å; L208-T257 CarbonylContact C-O 3.54Å; L208-T257 WeakPolarHBondContact CA-O 3.2Å; L208-A258 HydrophobicContact CD2-CB 3.92Å
209E76.8Confident81.3Confident129 Ų12958.5 Ų58.560%0.60331%0.308SS*.EExtended strand (participates in β ladder)trans-104.1132.1172.6-175.4175.5-164.900109.9I256 T257 V259E209-I256 CarbonylContact O-C 3.55Å; E209-I256 WeakPolarHBondContact O-CA 3.44Å; E209-T257 PolarHBondContact N-O 2.8Å; E209-T257 PolarHBondContact O-N 2.87Å; E209-V259 HydrophobicContact CB-CG2 4.49Å
210D80.3Confident80.8Confident33 Ų3362.4 Ų62.418%0.17633%0.329CS..EExtended strand (participates in β ladder)trans-106.9141.5177.972.2-74000113.2W212 K224 Y237 S255 I256D210-W212 PolarHBondContact OD2-NE1 2.82Å; D210-K224 WeakPolarHBondContact OD1-CE 3.41Å; D210-K224 IonicContact OD1-NZ 2.53Å; D210-K224 PolarHBondContact OD1-NZ 3.28Å; D210-K224 WeakPolarHBondContact OD2-CD 3.49Å; D210-K224 WeakPolarHBondContact OD2-CE 3.28Å; D210-K224 IonicContact OD2-NZ 2.63Å; D210-K224 PolarHBondContact OD2-NZ 2.86Å; D210-Y237 HydrophobicContact CB-CD1 4.07Å; D210-Y237 HydrophobicContact CB-CE1 3.89Å; D210-Y237 HydrophobicContact CB-CE2 4.35Å; D210-Y237 HydrophobicContact CB-CG 4.38Å; D210-Y237 WeakPolarHBondContact OD1-CE1 3.4Å; D210-S255 CarbonylContact C-O 3.58Å; D210-S255 WeakPolarHBondContact CA-O 3.38Å; D210-I256 HydrophobicContact CB-CD1 3.46Å; D210-I256 VanDerWaalsContact CB-CD1 3.46Å
211N87.4Confident80.6Confident73 Ų7366.4 Ų66.439%0.3934%0.344SS..EExtended strand (participates in β ladder)trans-132.896.5178.4179.330000110.4S255N211-S255 PolarHBondContact N-O 2.68Å; N211-S255 PolarHBondContact O-N 2.68Å
212W88.2Confident80.3Confident11 Ų1164.5 Ų64.54%0.04234%0.337CS..EExtended strand (participates in β ladder)trans-82.7136.7177.2-75.386.3000112.7L183 V198 C200 D210 Y214 K217 L239 S253 C254L183-W212 HydrophobicContact CD1-CH2 3.55Å; L183-W212 HydrophobicContact CD1-CZ3 3.78Å; V198-W212 HydrophobicContact CB-CH2 4.22Å; V198-W212 HydrophobicContact CB-CZ3 4.19Å; V198-W212 HydrophobicContact CG1-CH2 3.89Å; V198-W212 HydrophobicContact CG1-CZ3 3.81Å; C200-W212 HydrophobicContact CB-CH2 3.54Å; C200-W212 HydrophobicContact CB-CZ2 3.28Å; D210-W212 PolarHBondContact OD2-NE1 2.82Å; W212-Y214 HydrophobicContact CB-CD1 4.31Å; W212-Y214 HydrophobicContact CB-CE1 4.48Å; W212-K217 WeakPolarHBondContact O-CD 3.48Å; W212-K217 WeakPolarHBondContact O-CE 3.26Å; W212-K217 PolarHBondContact O-NZ 3.48Å; W212-L239 HydrophobicContact CD2-CB 4.43Å; W212-L239 HydrophobicContact CD2-CD2 4.44Å; W212-L239 HydrophobicContact CE3-CB 4.3Å; W212-L239 HydrophobicContact CE3-CD2 3.89Å; W212-L239 HydrophobicContact CH2-CB 4.18Å; W212-L239 HydrophobicContact CZ2-CB 4.34Å; W212-L239 HydrophobicContact CZ3-CB 4.17Å; W212-L239 HydrophobicContact CZ3-CD2 4.19Å; W212-S253 CarbonylContact C-O 3.54Å; W212-S253 WeakPolarHBondContact CA-O 3.39Å; W212-C254 HydrophobicContact CD2-CB 4.2Å; W212-C254 HydrophobicContact CE3-CB 4.04Å; W212-C254 HydrophobicContact CH2-CB 3.99Å; W212-C254 HydrophobicContact CZ2-CB 4.12Å; W212-C254 HydrophobicContact CZ3-CB 3.93Å
213K90.5Very high80.3Confident119 Ų11968.6 Ų68.652%0.51736%0.362SS..EExtended strand (participates in β ladder)trans-120.2133.5164.5-55.6175.2-179.8169.30109.4Y252 S253K213-Y252 CarbonylContact O-C 3.52Å; K213-Y252 WeakPolarHBondContact O-CA 3.28Å; K213-S253 PolarHBondContact N-O 2.79Å; K213-S253 PolarHBondContact O-N 2.92Å
214Y92.6Very high80.3Confident26 Ų2670.8 Ų70.810%0.10237%0.371CS..  trans-157.6155.1177.958.6-85000110W212 G216 K217 L239 I241 Y252W212-Y214 HydrophobicContact CB-CD1 4.31Å; W212-Y214 HydrophobicContact CB-CE1 4.48Å; Y214-G216 VanDerWaalsContact C-N 3.29Å; Y214-G216 PolarHBondContact O-N 3.4Å; Y214-K217 HydrophobicContact CD1-CB 3.97Å; Y214-K217 HydrophobicContact CD1-CD 4.45Å; Y214-K217 HydrophobicContact CD1-CG 4.4Å; Y214-K217 HydrophobicContact CD2-CB 4.08Å; Y214-K217 VanDerWaalsContact CD2-N 3.3Å; Y214-K217 HydrophobicContact CE1-CB 3.76Å; Y214-K217 HydrophobicContact CE1-CD 4.19Å; Y214-K217 HydrophobicContact CE1-CG 3.88Å; Y214-K217 VanDerWaalsContact CE2-CA 3.43Å; Y214-K217 HydrophobicContact CE2-CB 3.88Å; Y214-K217 HydrophobicContact CG-CB 4.11Å; Y214-K217 VanDerWaalsContact O-CB 3.24Å; Y214-K217 WeakPolarHBondContact O-CB 3.39Å; Y214-K217 PolarHBondContact O-N 3.43Å; Y214-L239 HydrophobicContact CD1-CD1 4.38Å; Y214-L239 HydrophobicContact CD1-CD2 3.63Å; Y214-L239 HydrophobicContact CD2-CD2 4.4Å; Y214-L239 HydrophobicContact CE1-CD1 3.94Å; Y214-L239 HydrophobicContact CE1-CD2 4.05Å; Y214-L239 HydrophobicContact CG-CD2 3.84Å; Y214-I241 HydrophobicContact CD2-CD1 3.87Å; Y214-I241 HydrophobicContact CE2-CD1 4.14Å; Y214-Y252 HydrophobicContact CG-CD1 4.46Å; Y214-Y252 HydrophobicContact CG-CE1 4.36Å
215P90.3Very high81Confident48 Ų4873.1 Ų73.131%0.31238%0.382SS..THydrogen-bonded Turntrans-57.1-38.4-173.8-26.635.3000114K217 P218 Y252P215-K217 VanDerWaalsContact C-N 3.3Å; P215-K217 PolarHBondContact O-N 2.77Å; P215-P218 VanDerWaalsContact O-CD 3.26Å; P215-P218 WeakPolarHBondContact O-CD 3.38Å; P215-Y252 HydrophobicContact CG-CE2 4.38Å
216G84.3Confident82Confident5 Ų575.1 Ų75.15%0.05239%0.393CS..THydrogen-bonded Turntrans-78.60.8179.400000116Y214 A219 N220 R221Y214-G216 VanDerWaalsContact C-N 3.29Å; Y214-G216 PolarHBondContact O-N 3.4Å; G216-A219 PolarHBondContact O-N 2.96Å; G216-N220 PolarHBondContact O-N 2.81Å; G216-R221 PolarHBondContact O-N 3.29Å
217K84.1Confident83.1Confident90 Ų9075 Ų7539%0.39139%0.392SS..G310 helixtrans-61.4-41.2-176.4-169.4175.6-178179.50113.9W212 Y214 P215 A219 N220W212-K217 WeakPolarHBondContact O-CD 3.48Å; W212-K217 WeakPolarHBondContact O-CE 3.26Å; W212-K217 PolarHBondContact O-NZ 3.48Å; Y214-K217 HydrophobicContact CD1-CB 3.97Å; Y214-K217 HydrophobicContact CD1-CD 4.45Å; Y214-K217 HydrophobicContact CD1-CG 4.4Å; Y214-K217 HydrophobicContact CD2-CB 4.08Å; Y214-K217 VanDerWaalsContact CD2-N 3.3Å; Y214-K217 HydrophobicContact CE1-CB 3.76Å; Y214-K217 HydrophobicContact CE1-CD 4.19Å; Y214-K217 HydrophobicContact CE1-CG 3.88Å; Y214-K217 VanDerWaalsContact CE2-CA 3.43Å; Y214-K217 HydrophobicContact CE2-CB 3.88Å; Y214-K217 HydrophobicContact CG-CB 4.11Å; Y214-K217 VanDerWaalsContact O-CB 3.24Å; Y214-K217 WeakPolarHBondContact O-CB 3.39Å; Y214-K217 PolarHBondContact O-N 3.43Å; P215-K217 VanDerWaalsContact C-N 3.3Å; P215-K217 PolarHBondContact O-N 2.77Å; K217-A219 PolarHBondContact O-N 2.89Å; K217-N220 PolarHBondContact O-N 3.45Å
218P83.6Confident83.8Confident128 Ų12876.6 Ų76.683%0.83140%0.396SS*.G310 helixtrans-61.6-27.1178.9-22.533.9000113.9P215P215-P218 VanDerWaalsContact O-CD 3.26Å; P215-P218 WeakPolarHBondContact O-CD 3.38Å
219A82.9Confident83.8Confident73 Ų7378.6 Ų78.660%0.60341%0.407SS*.G310 helixtrans-98.47.8177.700000112.9G216 K217 R221G216-A219 PolarHBondContact O-N 2.96Å; K217-A219 PolarHBondContact O-N 2.89Å; A219-R221 HydrophobicContact CB-CG 3.9Å; A219-R221 PolarHBondContact O-N 3.31Å
220N82.7Confident82.9Confident131 Ų13180.1 Ų80.170%0.70141%0.412SS*.THydrogen-bonded Turntrans47.141.6-179.1-158.234.3000114.2G216 K217 G222G216-N220 PolarHBondContact O-N 2.81Å; K217-N220 PolarHBondContact O-N 3.45Å; N220-G222 VanDerWaalsContact C-N 3.33Å
221R85.9Confident81.6Confident84 Ų8486 Ų8632%0.31744%0.443SS..  trans-79-14.6-175.7-64.5-167.467.8-166.9-3.6114.3G216 A219 I241 Q243 S245 D248G216-R221 PolarHBondContact O-N 3.29Å; A219-R221 HydrophobicContact CB-CG 3.9Å; A219-R221 PolarHBondContact O-N 3.31Å; R221-I241 HydrophobicContact CB-CG2 4.21Å; R221-Q243 PolarHBondContact NH2-O 3.44Å; R221-S245 PolarHBondContact NH1-OG 3.23Å; R221-D248 IonicContact CZ-OD1 3.83Å; R221-D248 IonicContact CZ-OD2 3.46Å; R221-D248 VanDerWaalsContact NH1-CG 3.34Å; R221-D248 IonicContact NH1-OD1 3.17Å; R221-D248 PolarHBondContact NH1-OD1 3.22Å; R221-D248 VanDerWaalsContact NH1-OD1 3.17Å; R221-D248 IonicContact NH1-OD2 2.71Å; R221-D248 PolarHBondContact NH1-OD2 2.84Å; R221-D248 IonicContact NH2-OD2 3.85Å
222G84.3Confident80.2Confident11 Ų1187.1 Ų87.111%0.11345%0.446CS..  trans-95.7136.2-178.300000112.7N220 T240N220-G222 VanDerWaalsContact C-N 3.33Å; G222-T240 CarbonylContact C-O 3.48Å; G222-T240 WeakPolarHBondContact CA-O 3.45Å
223T85.9Confident79.1Confident87 Ų8788.2 Ų88.253%0.53446%0.461SS..EExtended strand (participates in β ladder)trans-101.1129.5168.6-530000109T240T223-T240 PolarHBondContact N-O 2.8Å; T223-T240 PolarHBondContact O-N 2.99Å
224K85.1Confident78.6Confident88 Ų8887 Ų8738%0.38345%0.453SS..EExtended strand (participates in β ladder)trans-104.3134.7178.5179.5-171.6157.4-157.50110.5D210 T238D210-K224 WeakPolarHBondContact OD1-CE 3.41Å; D210-K224 IonicContact OD1-NZ 2.53Å; D210-K224 PolarHBondContact OD1-NZ 3.28Å; D210-K224 WeakPolarHBondContact OD2-CD 3.49Å; D210-K224 WeakPolarHBondContact OD2-CE 3.28Å; D210-K224 IonicContact OD2-NZ 2.63Å; D210-K224 PolarHBondContact OD2-NZ 2.86Å; K224-T238 CarbonylContact C-O 3.51Å; K224-T238 VanDerWaalsContact CA-O 3.29Å; K224-T238 WeakPolarHBondContact CA-O 3.38Å
225T85.5Confident78.1Confident65 Ų6587 Ų8740%0.39945%0.454SS..EExtended strand (participates in β ladder)trans-125145.2172.358.90000110.3T238T225-T238 PolarHBondContact N-O 3.27Å; T225-T238 PolarHBondContact O-N 3.31Å; T225-T238 WeakPolarHBondContact OG1-CB 3.47Å
226V83.6Confident78Confident79 Ų7987.1 Ų87.148%0.47945%0.452SS..EExtended strand (participates in β ladder)trans-122.4136.7-178.3-171.20000109.4I235 L236 Y237V226-I235 HydrophobicContact CG1-CG2 3.57Å; V226-L236 CarbonylContact C-O 3.59Å; V226-L236 WeakPolarHBondContact CA-O 3.42Å; V226-Y237 HydrophobicContact CB-CD1 4.42Å; V226-Y237 HydrophobicContact CG1-CD1 3.98Å; V226-Y237 HydrophobicContact CG1-CE1 3.86Å; V226-Y237 HydrophobicContact CG2-CD1 3.7Å; V226-Y237 HydrophobicContact CG2-CE1 4Å
227R81.4Confident78.2Confident184 Ų18487.4 Ų87.469%0.69445%0.452SS*.EExtended strand (participates in β ladder)trans-130.3128.6173.7-64-176.8-179.4-171.50.2109.3L236R227-L236 HydrophobicContact CB-CB 4.45Å; R227-L236 PolarHBondContact N-O 3.18Å; R227-L236 PolarHBondContact O-N 3.27Å
228E75.4Confident78.4Confident123 Ų12383.9 Ų83.958%0.57544%0.438SS*.EExtended strand (participates in β ladder)trans-109.6132.1-177.7-173.5-174.117700109.9K230 I235E228-K230 HydrophobicContact CG-CG 4.28Å; E228-I235 HydrophobicContact CG-CG1 4.37Å
229N69.9Low78.8Confident64 Ų6478 Ų7834%0.34240%0.399SS..EExtended strand (participates in β ladder)trans-10996.8169.5-171.32.9000109.4N231 E232 G233 R234N229-N231 PolarHBondContact O-N 3.19Å; N229-E232 VanDerWaalsContact ND2-CD 3.28Å; N229-E232 PolarHBondContact ND2-OE1 2.83Å; N229-E232 PolarHBondContact ND2-OE2 3.21Å; N229-E232 PolarHBondContact O-N 3.49Å; N229-G233 PolarHBondContact O-N 2.86Å; N229-R234 PolarHBondContact N-O 2.94Å
230K56.3Low79.2Confident161 Ų16176.3 Ų76.370%0.738%0.381SS*.THydrogen-bonded Turntrans-63.1-23.6-175-66.3-171175-168.80114.2E228E228-K230 HydrophobicContact CG-CG 4.28Å
231N53.3Low79.7Confident155 Ų15570 Ų7083%0.82935%0.348SS*.THydrogen-bonded Turntrans-81.4-16.7-178.1-66.83.8000113N229N229-N231 PolarHBondContact O-N 3.19Å
232E58.4Low79.8Confident98 Ų9869.2 Ų69.246%0.45835%0.353SS..THydrogen-bonded Turntrans-122.9-0.2-172.7-69.7179.6-160.400113.7N229 R234N229-E232 VanDerWaalsContact ND2-CD 3.28Å; N229-E232 PolarHBondContact ND2-OE1 2.83Å; N229-E232 PolarHBondContact ND2-OE2 3.21Å; N229-E232 PolarHBondContact O-N 3.49Å; E232-R234 HydrophobicContact CB-CB 4.42Å; E232-R234 HydrophobicContact CB-CG 4.24Å; E232-R234 PolarHBondContact O-N 3.22Å; E232-R234 WeakPolarHBondContact OE2-CD 3.12Å; E232-R234 IonicContact OE2-CZ 3.16Å; E232-R234 IonicContact OE2-NE 3.98Å; E232-R234 IonicContact OE2-NH1 3.6Å; E232-R234 PolarHBondContact OE2-NH1 2.94Å
233G65.9Low80.1Confident33 Ų3375.6 Ų75.634%0.3438%0.38SS..THydrogen-bonded Turntrans61.331.2-175.700000113.4G204 N229G204-G233 PolarHBondContact N-O 2.81Å; N229-G233 PolarHBondContact O-N 2.86Å
234R79.1Confident80.3Confident95 Ų9571.5 Ų71.536%0.35836%0.355SS..EExtended strand (participates in β ladder)trans-115.8132.9-175.7-74.5176.7177.5164.5-5.4112.2L201 A202 Q203 N229 E232L201-R234 HydrophobicContact CD1-CB 4.27Å; A202-R234 WeakPolarHBondContact O-CA 3.4Å; Q203-R234 HydrophobicContact CB-CG 4.15Å; Q203-R234 HydrophobicContact CG-CG 4.09Å; Q203-R234 VanDerWaalsContact OE1-NE 3.16Å; N229-R234 PolarHBondContact N-O 2.94Å; E232-R234 HydrophobicContact CB-CB 4.42Å; E232-R234 HydrophobicContact CB-CG 4.24Å; E232-R234 PolarHBondContact O-N 3.22Å; E232-R234 WeakPolarHBondContact OE2-CD 3.12Å; E232-R234 IonicContact OE2-CZ 3.16Å; E232-R234 IonicContact OE2-NE 3.98Å; E232-R234 IonicContact OE2-NH1 3.6Å; E232-R234 PolarHBondContact OE2-NH1 2.94Å
235I82.9Confident80.6Confident25 Ų2568.6 Ų68.613%0.12835%0.346CS..EExtended strand (participates in β ladder)trans-121.8124.6176.7-51.8-179000109.4A202 L208 V226 E228 Y237A202-I235 PolarHBondContact N-O 2.83Å; A202-I235 PolarHBondContact O-N 2.8Å; L208-I235 HydrophobicContact CB-CD1 4.5Å; L208-I235 HydrophobicContact CD1-CD1 4.25Å; V226-I235 HydrophobicContact CG1-CG2 3.57Å; E228-I235 HydrophobicContact CG-CG1 4.37Å; I235-Y237 HydrophobicContact CB-CE2 4.05Å; I235-Y237 HydrophobicContact CG2-CD2 4.25Å; I235-Y237 HydrophobicContact CG2-CE1 4.03Å; I235-Y237 HydrophobicContact CG2-CE2 3.65Å
236L86.4Confident80.8Confident51 Ų5169.1 Ų69.127%0.26735%0.349SS..EExtended strand (participates in β ladder)trans-103.7116.5177-179.166.9000110.4N199 L201 V226 R227N199-L236 HydrophobicContact CB-CD1 4.08Å; L201-L236 HydrophobicContact CB-CD1 4.27Å; L201-L236 HydrophobicContact CD1-CB 4.37Å; L201-L236 HydrophobicContact CD1-CD1 4.36Å; V226-L236 CarbonylContact C-O 3.59Å; V226-L236 WeakPolarHBondContact CA-O 3.42Å; R227-L236 HydrophobicContact CB-CB 4.45Å; R227-L236 PolarHBondContact N-O 3.18Å; R227-L236 PolarHBondContact O-N 3.27Å
237Y88.9Confident81Confident10 Ų1073.7 Ų73.74%0.03936%0.363CS..EExtended strand (participates in β ladder)trans-99.9120.7172.8-56.7-85.6000110N199 C200 A202 L208 D210 V226 I235 I256N199-Y237 CarbonylContact C-O 3.55Å; N199-Y237 WeakPolarHBondContact CA-O 3.32Å; C200-Y237 PolarHBondContact N-O 3.09Å; C200-Y237 PolarHBondContact O-N 2.9Å; A202-Y237 HydrophobicContact CB-CD2 4.48Å; A202-Y237 HydrophobicContact CB-CE2 3.99Å; L208-Y237 PolarHBondContact O-OH 2.65Å; D210-Y237 HydrophobicContact CB-CD1 4.07Å; D210-Y237 HydrophobicContact CB-CE1 3.89Å; D210-Y237 HydrophobicContact CB-CE2 4.35Å; D210-Y237 HydrophobicContact CB-CG 4.38Å; D210-Y237 WeakPolarHBondContact OD1-CE1 3.4Å; V226-Y237 HydrophobicContact CB-CD1 4.42Å; V226-Y237 HydrophobicContact CG1-CD1 3.98Å; V226-Y237 HydrophobicContact CG1-CE1 3.86Å; V226-Y237 HydrophobicContact CG2-CD1 3.7Å; V226-Y237 HydrophobicContact CG2-CE1 4Å; I235-Y237 HydrophobicContact CB-CE2 4.05Å; I235-Y237 HydrophobicContact CG2-CD2 4.25Å; I235-Y237 HydrophobicContact CG2-CE1 4.03Å; I235-Y237 HydrophobicContact CG2-CE2 3.65Å; Y237-I256 HydrophobicContact CD2-CD1 3.79Å; Y237-I256 HydrophobicContact CE2-CD1 3.62Å
238T89.5Confident81.5Confident16 Ų1665.1 Ų65.110%0.09833%0.33CS..EExtended strand (participates in β ladder)trans-114.6123.2178.1-59.90000110.5T197 V198 N199 K224 T225T197-T238 HydrophobicContact CG2-CG2 3.74Å; V198-T238 CarbonylContact O-C 3.52Å; V198-T238 WeakPolarHBondContact O-CA 3.33Å; N199-T238 WeakPolarHBondContact OD1-CB 3.39Å; N199-T238 WeakPolarHBondContact OD1-CG2 3.39Å; N199-T238 PolarHBondContact OD1-OG1 3.31Å; K224-T238 CarbonylContact C-O 3.51Å; K224-T238 VanDerWaalsContact CA-O 3.29Å; K224-T238 WeakPolarHBondContact CA-O 3.38Å; T225-T238 PolarHBondContact N-O 3.27Å; T225-T238 PolarHBondContact O-N 3.31Å; T225-T238 WeakPolarHBondContact OG1-CB 3.47Å
239L91.7Very high82.2Confident4 Ų460.4 Ų60.42%0.02131%0.311CS..EExtended strand (participates in β ladder)trans-99125.5171.3178.367.8000110T197 V198 W212 Y214 Y252T197-L239 WeakPolarHBondContact CA-O 3.32Å; V198-L239 HydrophobicContact CB-CB 4.43Å; V198-L239 PolarHBondContact N-O 3.03Å; V198-L239 PolarHBondContact O-N 2.01Å; W212-L239 HydrophobicContact CD2-CB 4.43Å; W212-L239 HydrophobicContact CD2-CD2 4.44Å; W212-L239 HydrophobicContact CE3-CB 4.3Å; W212-L239 HydrophobicContact CE3-CD2 3.89Å; W212-L239 HydrophobicContact CH2-CB 4.18Å; W212-L239 HydrophobicContact CZ2-CB 4.34Å; W212-L239 HydrophobicContact CZ3-CB 4.17Å; W212-L239 HydrophobicContact CZ3-CD2 4.19Å; Y214-L239 HydrophobicContact CD1-CD1 4.38Å; Y214-L239 HydrophobicContact CD1-CD2 3.63Å; Y214-L239 HydrophobicContact CD2-CD2 4.4Å; Y214-L239 HydrophobicContact CE1-CD1 3.94Å; Y214-L239 HydrophobicContact CE1-CD2 4.05Å; Y214-L239 HydrophobicContact CG-CD2 3.84Å; L239-Y252 HydrophobicContact CD2-CD1 3.88Å; L239-Y252 HydrophobicContact CD2-CE1 4.15Å
240T90.6Very high83.3Confident38 Ų3858.5 Ų58.523%0.23331%0.307CS..EExtended strand (participates in β ladder)trans-123.9124.3179.9-54.60000111T195 I196 G222 T223T195-T240 HydrophobicContact CG2-CG2 3.58Å; I196-T240 CarbonylContact O-C 3.54Å; I196-T240 VanDerWaalsContact O-CA 3.31Å; I196-T240 WeakPolarHBondContact O-CA 3.04Å; G222-T240 CarbonylContact C-O 3.48Å; G222-T240 WeakPolarHBondContact CA-O 3.45Å; T223-T240 PolarHBondContact N-O 2.8Å; T223-T240 PolarHBondContact O-N 2.99Å
241I92.9Very high85Confident0 Ų055.7 Ų55.70%030%0.298CS..EExtended strand (participates in β ladder)trans-114.7107.7172.4-58.5170000108.3T195 I196 Y214 R221 Y252T195-I241 WeakPolarHBondContact CA-O 3.42Å; I196-I241 HydrophobicContact CB-CB 4.2Å; I196-I241 PolarHBondContact N-O 2.99Å; I196-I241 PolarHBondContact O-N 2.85Å; Y214-I241 HydrophobicContact CD2-CD1 3.87Å; Y214-I241 HydrophobicContact CE2-CD1 4.14Å; R221-I241 HydrophobicContact CB-CG2 4.21Å; I241-Y252 HydrophobicContact CD1-CE1 3.74Å; I241-Y252 WeakPolarHBondContact CD1-OH 3.47Å
242P88.9Confident87Confident66 Ų6648.3 Ų48.343%0.42926%0.259SS..SBendtrans-74.8145.7175.331.1-33.1000110.9
243Q90.1Very high88.6Confident146 Ų14643.8 Ų43.868%0.68224%0.238SC*.SBendtrans54.667.7178.9-58.4-175.27.800113.4E194 R221E194-Q243 PolarHBondContact O-N 3.1Å; R221-Q243 PolarHBondContact NH2-O 3.44Å
244A89.5Confident89.9Confident1 Ų142.2 Ų42.21%0.00822%0.222CC..  trans-54.6139.1177.400000111.8V192 G193 E194 I196 V273V192-A244 WeakPolarHBondContact CA-O 3.35Å; G193-A244 PolarHBondContact N-O 2.67Å; E194-A244 WeakPolarHBondContact O-CB 3.14Å; E194-A244 PolarHBondContact O-N 2.9Å; I196-A244 HydrophobicContact CD1-CB 3.77Å; I196-A244 HydrophobicContact CG1-CB 3.85Å; A244-V273 HydrophobicContact CB-CG1 4.03Å; A244-V273 HydrophobicContact CB-CG2 3.95Å
245S91.4Very high90.4Very high26 Ų2638 Ų3818%0.18221%0.207CC..  trans-121.1164173.575.40000110.1R221 K247 D248 V273R221-S245 PolarHBondContact NH1-OG 3.23Å; S245-K247 PolarHBondContact O-N 3.34Å; S245-K247 PolarHBondContact OG-N 2.81Å; S245-D248 WeakPolarHBondContact CA-OD2 3.23Å; S245-D248 WeakPolarHBondContact CB-OD2 3.25Å; S245-D248 PolarHBondContact N-OD2 2.82Å; S245-D248 WeakPolarHBondContact O-CB 3.49Å; S245-D248 PolarHBondContact O-N 3.26Å; S245-D248 PolarHBondContact OG-OD2 3.45Å; S245-V273 WeakPolarHBondContact O-CB 3.34Å
246T89.9Confident90.7Very high77 Ų7736.9 Ų36.947%0.47220%0.201SC..G310 helixtrans-59.5-19.1175.1550000113.8V192 D248 S249 A275V192-T246 HydrophobicContact CG2-CG2 4Å; T246-D248 VanDerWaalsContact C-N 3.33Å; T246-S249 WeakPolarHBondContact O-CB 3.04Å; T246-S249 PolarHBondContact O-OG 3.23Å; T246-A275 HydrophobicContact CG2-CB 4.17Å
247K89.2Confident90.6Very high175 Ų17536.2 Ų36.276%0.76120%0.199SC*.G310 helixtrans-78.6-15.5174.6-62.1-177.1-179.7179.40113.5S245 S249S245-K247 PolarHBondContact O-N 3.34Å; S245-K247 PolarHBondContact OG-N 2.81Å; K247-S249 VanDerWaalsContact C-N 3.29Å
248D90.6Very high90.2Very high3 Ų335.7 Ų35.72%0.01620%0.198CC..G310 helixtrans-88.5-2.1177-51.1-60.7000111.8I196 R221 S245 T246 Y252I196-D248 HydrophobicContact CD1-CB 4.04Å; R221-D248 IonicContact CZ-OD1 3.83Å; R221-D248 IonicContact CZ-OD2 3.46Å; R221-D248 VanDerWaalsContact NH1-CG 3.34Å; R221-D248 IonicContact NH1-OD1 3.17Å; R221-D248 PolarHBondContact NH1-OD1 3.22Å; R221-D248 VanDerWaalsContact NH1-OD1 3.17Å; R221-D248 IonicContact NH1-OD2 2.71Å; R221-D248 PolarHBondContact NH1-OD2 2.84Å; R221-D248 IonicContact NH2-OD2 3.85Å; S245-D248 WeakPolarHBondContact CA-OD2 3.23Å; S245-D248 WeakPolarHBondContact CB-OD2 3.25Å; S245-D248 PolarHBondContact N-OD2 2.82Å; S245-D248 WeakPolarHBondContact O-CB 3.49Å; S245-D248 PolarHBondContact O-N 3.26Å; S245-D248 PolarHBondContact OG-OD2 3.45Å; T246-D248 VanDerWaalsContact C-N 3.33Å; D248-Y252 WeakPolarHBondContact O-CE2 3.28Å; D248-Y252 PolarHBondContact O-OH 2.83Å
249S91.7Very high89.2Confident24 Ų2438.7 Ų38.717%0.16822%0.215CC..  trans-67.8134.8170.9-560000111.1T246 K247 I271 V273T246-S249 WeakPolarHBondContact O-CB 3.04Å; T246-S249 PolarHBondContact O-OG 3.23Å; K247-S249 VanDerWaalsContact C-N 3.29Å; S249-I271 CarbonylContact C-O 3.55Å; S249-I271 VanDerWaalsContact CA-O 3.27Å; S249-I271 WeakPolarHBondContact CA-O 3.18Å; S249-V273 PolarHBondContact OG-N 2.85Å; S249-V273 PolarHBondContact OG-O 3.07Å
250G91.7Very high87.9Confident25 Ų2544.9 Ų44.926%0.25824%0.244SC..EExtended strand (participates in β ladder)trans149.6-160.717800000112.7Y252 I271G250-Y252 WeakPolarHBondContact O-CD2 3.45Å; G250-I271 PolarHBondContact N-O 2.82Å; G250-I271 PolarHBondContact O-N 3.09Å
251I92.9Very high86.8Confident101 Ų10146.8 Ų46.852%0.51826%0.259SS..EExtended strand (participates in β ladder)trans-91.5128.2-175.6-57.3173.2000110E268I251-E268 HydrophobicContact CG2-CB 3.9Å; I251-E268 HydrophobicContact CG2-CG 4.36Å
252Y94Very high85.7Confident0 Ų057 Ų570%030%0.298CS..EExtended strand (participates in β ladder)trans-104.8122.1173.9-70.9-109.2000107.8I196 V198 K213 Y214 P215 L239 I241 D248 G250 E268 I269 I271I196-Y252 WeakPolarHBondContact CD1-OH 3.33Å; I196-Y252 HydrophobicContact CG2-CE1 4.21Å; V198-Y252 HydrophobicContact CG2-CD1 3.93Å; V198-Y252 HydrophobicContact CG2-CE1 4.42Å; V198-Y252 HydrophobicContact CG2-CG 4.36Å; K213-Y252 CarbonylContact O-C 3.52Å; K213-Y252 WeakPolarHBondContact O-CA 3.28Å; Y214-Y252 HydrophobicContact CG-CD1 4.46Å; Y214-Y252 HydrophobicContact CG-CE1 4.36Å; P215-Y252 HydrophobicContact CG-CE2 4.38Å; L239-Y252 HydrophobicContact CD2-CD1 3.88Å; L239-Y252 HydrophobicContact CD2-CE1 4.15Å; I241-Y252 HydrophobicContact CD1-CE1 3.74Å; I241-Y252 WeakPolarHBondContact CD1-OH 3.47Å; D248-Y252 WeakPolarHBondContact O-CE2 3.28Å; D248-Y252 PolarHBondContact O-OH 2.83Å; G250-Y252 WeakPolarHBondContact O-CD2 3.45Å; Y252-E268 CarbonylContact O-C 3.51Å; Y252-E268 VanDerWaalsContact O-CA 3.26Å; Y252-E268 WeakPolarHBondContact O-CA 3.28Å; Y252-I269 PolarHBondContact N-O 2.88Å; Y252-I269 PolarHBondContact O-N 3.45Å; Y252-I271 HydrophobicContact CD1-CD1 4.36Å; Y252-I271 HydrophobicContact CD2-CB 3.91Å; Y252-I271 HydrophobicContact CD2-CD1 3.74Å; Y252-I271 HydrophobicContact CD2-CG1 3.8Å; Y252-I271 HydrophobicContact CE1-CD1 4.45Å; Y252-I271 HydrophobicContact CE2-CB 3.69Å; Y252-I271 HydrophobicContact CE2-CD1 3.91Å; Y252-I271 HydrophobicContact CE2-CG1 4.03Å; Y252-I271 HydrophobicContact CE2-CG2 4.47Å; Y252-I271 HydrophobicContact CG-CD1 4.02Å; Y252-I271 HydrophobicContact CG-CG1 4.47Å
253S92.5Very high85.3Confident3 Ų357.3 Ų57.32%0.02130%0.296CS..EExtended strand (participates in β ladder)trans-124.4129.9-173.6-176.80000109.3W212 K213 T266 K267 E268W212-S253 CarbonylContact C-O 3.54Å; W212-S253 WeakPolarHBondContact CA-O 3.39Å; K213-S253 PolarHBondContact N-O 2.79Å; K213-S253 PolarHBondContact O-N 2.92Å; S253-T266 VanDerWaalsContact OG-CG2 3.23Å; S253-T266 WeakPolarHBondContact OG-CG2 3.33Å; S253-K267 CarbonylContact C-O 3.57Å; S253-K267 VanDerWaalsContact CA-O 3.32Å; S253-K267 WeakPolarHBondContact CA-O 3.34Å; S253-E268 WeakPolarHBondContact CB-OE1 3.47Å; S253-E268 WeakPolarHBondContact OG-CG 3.3Å; S253-E268 PolarHBondContact OG-OE1 2.79Å
254C92.7Very high85Confident0 Ų053.5 Ų53.50%028%0.283CS..EExtended strand (participates in β ladder)trans-115.1114173.4-179.20000108.5L183 C200 W212 T266 K267L183-C254 HydrophobicContact CD1-CB 3.71Å; L183-C254 HydrophobicContact CD2-CB 4.45Å; C200-C254 HydrophobicContact CB-CB 3.69Å; C200-C254 WeakPolarHBondContact CB-SG 3.25Å; C200-C254 WeakPolarHBondContact SG-CB 3.48Å; C200-C254 CovalentContact SG-SG 2.04Å; C200-C254 PolarHBondContact SG-SG 2.99Å; W212-C254 HydrophobicContact CD2-CB 4.2Å; W212-C254 HydrophobicContact CE3-CB 4.04Å; W212-C254 HydrophobicContact CH2-CB 3.99Å; W212-C254 HydrophobicContact CZ2-CB 4.12Å; W212-C254 HydrophobicContact CZ3-CB 3.93Å; C254-T266 WeakPolarHBondContact O-CA 3.17Å; C254-K267 PolarHBondContact N-O 2.81Å; C254-K267 PolarHBondContact O-N 2.77Å
255S90.4Very high85Confident8 Ų855.9 Ų55.96%0.05629%0.293CS..EExtended strand (participates in β ladder)trans-103.9124.9171.7-58.40000109.1D210 N211 Q265 T266D210-S255 CarbonylContact C-O 3.58Å; D210-S255 WeakPolarHBondContact CA-O 3.38Å; N211-S255 PolarHBondContact N-O 2.68Å; N211-S255 PolarHBondContact O-N 2.68Å; S255-Q265 CarbonylContact C-O 3.6Å; S255-Q265 WeakPolarHBondContact CA-O 3.42Å; S255-T266 WeakPolarHBondContact CB-OG1 3.44Å; S255-T266 VanDerWaalsContact OG-CG2 3.23Å; S255-T266 WeakPolarHBondContact OG-CG2 3.5Å; S255-T266 PolarHBondContact OG-OG1 2.87Å
256I90.2Very high85Confident0 Ų057.8 Ų57.80%030%0.304CS..EExtended strand (participates in β ladder)trans-112.4129.6173-53.6-62.6000108.4L179 V181 A202 L208 E209 D210 Y237 T264 Q265L179-I256 HydrophobicContact CD1-CG2 4.2Å; V181-I256 HydrophobicContact CB-CG1 4.48Å; V181-I256 HydrophobicContact CG1-CG1 3.86Å; V181-I256 HydrophobicContact CG2-CB 3.65Å; V181-I256 HydrophobicContact CG2-CG1 3.7Å; V181-I256 HydrophobicContact CG2-CG2 4.45Å; A202-I256 HydrophobicContact CB-CD1 4.38Å; A202-I256 HydrophobicContact CB-CG1 4Å; A202-I256 HydrophobicContact CB-CG2 4.03Å; L208-I256 HydrophobicContact CB-CG2 3.86Å; L208-I256 HydrophobicContact CD1-CG2 4.16Å; L208-I256 HydrophobicContact CD2-CG2 4.26Å; L208-I256 HydrophobicContact CG-CG2 4.31Å; E209-I256 CarbonylContact O-C 3.55Å; E209-I256 WeakPolarHBondContact O-CA 3.44Å; D210-I256 HydrophobicContact CB-CD1 3.46Å; D210-I256 VanDerWaalsContact CB-CD1 3.46Å; Y237-I256 HydrophobicContact CD2-CD1 3.79Å; Y237-I256 HydrophobicContact CE2-CD1 3.62Å; I256-T264 CarbonylContact O-C 3.6Å; I256-T264 VanDerWaalsContact O-CA 3.26Å; I256-T264 WeakPolarHBondContact O-CA 3.48Å; I256-Q265 PolarHBondContact N-O 3.09Å; I256-Q265 PolarHBondContact O-N 2.79Å
257T84.1Confident85.2Confident37 Ų3758.7 Ų58.723%0.22730%0.301CS..EExtended strand (participates in β ladder)trans-115.3121.8178.3-60.80000109.4L208 E209 D263 T264L208-T257 CarbonylContact C-O 3.54Å; L208-T257 WeakPolarHBondContact CA-O 3.2Å; E209-T257 PolarHBondContact N-O 2.8Å; E209-T257 PolarHBondContact O-N 2.87Å; T257-D263 CarbonylContact C-O 3.57Å; T257-D263 VanDerWaalsContact CA-O 3.28Å; T257-D263 WeakPolarHBondContact CA-O 3.3Å; T257-T264 WeakPolarHBondContact CB-OG1 3.47Å; T257-T264 WeakPolarHBondContact CG2-OG1 3.42Å; T257-T264 VanDerWaalsContact OG1-CG2 3.31Å; T257-T264 WeakPolarHBondContact OG1-CG2 3.44Å; T257-T264 PolarHBondContact OG1-OG1 2.78Å
258A78.8Confident85.4Confident0 Ų056.1 Ų56.10%029%0.292CS..EExtended strand (participates in β ladder)trans-72.9125.317000000109.6L179 P205 L208 E260 S261 R262 D263L179-A258 HydrophobicContact CD2-CB 4.42Å; P205-A258 HydrophobicContact CG-CB 4Å; L208-A258 HydrophobicContact CD2-CB 3.92Å; A258-E260 VanDerWaalsContact C-N 3.34Å; A258-E260 PolarHBondContact O-N 2.79Å; A258-S261 WeakPolarHBondContact CB-OG 3.26Å; A258-R262 WeakPolarHBondContact O-CA 3.27Å; A258-R262 PolarHBondContact O-N 2.77Å; A258-D263 PolarHBondContact N-O 2.95Å
259V69.5Low85.6Confident78 Ų7857.7 Ų57.747%0.47330%0.3SS..THydrogen-bonded Turntrans-68.7-35.9-172.8176.90000111.6L207 E209L207-V259 HydrophobicContact CB-CB 3.72Å; L207-V259 HydrophobicContact CB-CG1 4.48Å; L207-V259 HydrophobicContact CB-CG2 3.89Å; L207-V259 WeakPolarHBondContact O-CG2 3.35Å; L207-V259 PolarHBondContact O-N 3.42Å; E209-V259 HydrophobicContact CB-CG2 4.49Å
260E64Low85.6Confident135 Ų13559.8 Ų59.863%0.63132%0.319SS*.THydrogen-bonded Turntrans-80.4-50.8-176.3-67.1176.3176.200112.2A258A258-E260 VanDerWaalsContact C-N 3.34Å; A258-E260 PolarHBondContact O-N 2.79Å
261S67.2Low85.6Confident77 Ų7758.7 Ų58.754%0.53831%0.307SS..THydrogen-bonded Turntrans-82.9-14.1-179.364.40000113.8A258 D263A258-S261 WeakPolarHBondContact CB-OG 3.26Å; S261-D263 PolarHBondContact O-N 3.35Å; S261-D263 VanDerWaalsContact O-N 3.11Å; S261-D263 WeakPolarHBondContact OG-CB 3.48Å; S261-D263 PolarHBondContact OG-N 2.87Å
262R71.4Confident85.5Confident215 Ų21558.4 Ų58.481%0.81130%0.304SS*.  trans57.312.2-168.7-57.6-173.8179.5-176.21.7114.5A258A258-R262 WeakPolarHBondContact O-CA 3.27Å; A258-R262 PolarHBondContact O-N 2.77Å
263D78.8Confident85.3Confident73 Ų7358.5 Ų58.539%0.3930%0.304SS..  trans-68.6138.4176.1-169.919.4000109.9L179 T257 A258 S261L179-D263 HydrophobicContact CD2-CB 4.38Å; T257-D263 CarbonylContact C-O 3.57Å; T257-D263 VanDerWaalsContact CA-O 3.28Å; T257-D263 WeakPolarHBondContact CA-O 3.3Å; A258-D263 PolarHBondContact N-O 2.95Å; S261-D263 PolarHBondContact O-N 3.35Å; S261-D263 VanDerWaalsContact O-N 3.11Å; S261-D263 WeakPolarHBondContact OG-CB 3.48Å; S261-D263 PolarHBondContact OG-N 2.87Å
264T85.1Confident85.2Confident66 Ų6660.5 Ų60.541%0.40531%0.313SS..EExtended strand (participates in β ladder)trans-131.5120.6-177.3-59.40000110.7I256 T257I256-T264 CarbonylContact O-C 3.6Å; I256-T264 VanDerWaalsContact O-CA 3.26Å; I256-T264 WeakPolarHBondContact O-CA 3.48Å; T257-T264 WeakPolarHBondContact CB-OG1 3.47Å; T257-T264 WeakPolarHBondContact CG2-OG1 3.42Å; T257-T264 VanDerWaalsContact OG1-CG2 3.31Å; T257-T264 WeakPolarHBondContact OG1-CG2 3.44Å; T257-T264 PolarHBondContact OG1-OG1 2.78Å
265Q88.3Confident84.8Confident50 Ų5064.6 Ų64.623%0.23435%0.347CS..EExtended strand (participates in β ladder)trans-111.4133.8172.6-75.1-167.619.100111.5L179 V181 S255 I256L179-Q265 HydrophobicContact CD2-CB 4.2Å; L179-Q265 HydrophobicContact CD2-CG 4.15Å; L179-Q265 HydrophobicContact CG-CG 4.4Å; L179-Q265 VanDerWaalsContact O-CD 3.31Å; L179-Q265 PolarHBondContact O-NE2 2.86Å; V181-Q265 HydrophobicContact CB-CB 4.11Å; V181-Q265 HydrophobicContact CG2-CB 3.63Å; S255-Q265 CarbonylContact C-O 3.6Å; S255-Q265 WeakPolarHBondContact CA-O 3.42Å; I256-Q265 PolarHBondContact N-O 3.09Å; I256-Q265 PolarHBondContact O-N 2.79Å
266T91.9Very high84.5Confident67 Ų6766 Ų6641%0.41136%0.362SS..EExtended strand (participates in β ladder)trans-120.8132179.1-57.50000110.4S253 C254 S255 E268S253-T266 VanDerWaalsContact OG-CG2 3.23Å; S253-T266 WeakPolarHBondContact OG-CG2 3.33Å; C254-T266 WeakPolarHBondContact O-CA 3.17Å; S255-T266 WeakPolarHBondContact CB-OG1 3.44Å; S255-T266 VanDerWaalsContact OG-CG2 3.23Å; S255-T266 WeakPolarHBondContact OG-CG2 3.5Å; S255-T266 PolarHBondContact OG-OG1 2.87Å; T266-E268 HydrophobicContact CG2-CG 4.44Å
267K93.5Very high84.4Confident95 Ų9571 Ų7141%0.41339%0.386SS..EExtended strand (participates in β ladder)trans-123.6148.8173.2-64.5-62.4-175.3-178.70110.1V181 L183 S253 C254V181-K267 HydrophobicContact CB-CG 4.29Å; V181-K267 HydrophobicContact CG1-CG 4.04Å; V181-K267 WeakPolarHBondContact O-CE 3.26Å; V181-K267 WeakPolarHBondContact O-CG 3.38Å; L183-K267 HydrophobicContact CB-CB 3.67Å; L183-K267 HydrophobicContact CD2-CB 4.27Å; L183-K267 WeakPolarHBondContact CD2-O 3.43Å; S253-K267 CarbonylContact C-O 3.57Å; S253-K267 VanDerWaalsContact CA-O 3.32Å; S253-K267 WeakPolarHBondContact CA-O 3.34Å; C254-K267 PolarHBondContact N-O 2.81Å; C254-K267 PolarHBondContact O-N 2.77Å
268E94.4Very high84.5Confident121 Ų12171.9 Ų71.957%0.56539%0.386SS*.EExtended strand (participates in β ladder)trans-133.1146.8-175.6-53.7-161.7144.200112.3I251 Y252 S253 T266I251-E268 HydrophobicContact CG2-CB 3.9Å; I251-E268 HydrophobicContact CG2-CG 4.36Å; Y252-E268 CarbonylContact O-C 3.51Å; Y252-E268 VanDerWaalsContact O-CA 3.26Å; Y252-E268 WeakPolarHBondContact O-CA 3.28Å; S253-E268 WeakPolarHBondContact CB-OE1 3.47Å; S253-E268 WeakPolarHBondContact OG-CG 3.3Å; S253-E268 PolarHBondContact OG-OE1 2.79Å; T266-E268 HydrophobicContact CG2-CG 4.44Å
269I93.6Very high85.1Confident36 Ų3672.7 Ų72.719%0.18539%0.391CS..EExtended strand (participates in β ladder)trans-141.5139175.1-167165.4000110.2L183 A185 T188 V198 Y252L183-I269 HydrophobicContact CD2-CB 4.06Å; L183-I269 HydrophobicContact CD2-CG2 3.72Å; L183-I269 HydrophobicContact CG-CG2 4.15Å; A185-I269 HydrophobicContact CB-CD1 3.76Å; T188-I269 HydrophobicContact CG2-CD1 4.09Å; T188-I269 HydrophobicContact CG2-CG1 4.37Å; V198-I269 HydrophobicContact CG1-CG2 4.07Å; Y252-I269 PolarHBondContact N-O 2.88Å; Y252-I269 PolarHBondContact O-N 3.45Å
270A92Very high86.1Confident68 Ų6872.2 Ų72.256%0.56239%0.39SS*.EExtended strand (participates in β ladder)trans-95.4132.7177.700000110.7
271I92.4Very high87.5Confident2 Ų266.9 Ų66.91%0.0137%0.366CS..EExtended strand (participates in β ladder)trans-125134.3178.1-58.4-178.7000108.8A185 T188 L190 I196 V198 S249 G250 Y252A185-I271 HydrophobicContact CB-CD1 4.14Å; T188-I271 CarbonylContact O-C 3.54Å; T188-I271 WeakPolarHBondContact O-CA 3.37Å; L190-I271 HydrophobicContact CD1-CG2 3.57Å; I196-I271 HydrophobicContact CD1-CG2 4.33Å; I196-I271 HydrophobicContact CG1-CG2 4.41Å; I196-I271 HydrophobicContact CG2-CD1 3.64Å; I196-I271 HydrophobicContact CG2-CG2 4.46Å; V198-I271 HydrophobicContact CG2-CD1 3.52Å; S249-I271 CarbonylContact C-O 3.55Å; S249-I271 VanDerWaalsContact CA-O 3.27Å; S249-I271 WeakPolarHBondContact CA-O 3.18Å; G250-I271 PolarHBondContact N-O 2.82Å; G250-I271 PolarHBondContact O-N 3.09Å; Y252-I271 HydrophobicContact CD1-CD1 4.36Å; Y252-I271 HydrophobicContact CD2-CB 3.91Å; Y252-I271 HydrophobicContact CD2-CD1 3.74Å; Y252-I271 HydrophobicContact CD2-CG1 3.8Å; Y252-I271 HydrophobicContact CE1-CD1 4.45Å; Y252-I271 HydrophobicContact CE2-CB 3.69Å; Y252-I271 HydrophobicContact CE2-CD1 3.91Å; Y252-I271 HydrophobicContact CE2-CG1 4.03Å; Y252-I271 HydrophobicContact CE2-CG2 4.47Å; Y252-I271 HydrophobicContact CG-CD1 4.02Å; Y252-I271 HydrophobicContact CG-CG1 4.47Å
272Q90.5Very high88.8Confident96 Ų9670.2 Ų70.245%0.44937%0.371SS..EExtended strand (participates in β ladder)trans-120.7127.8-178.6-170.265.333.300110.9T188 A189 L190 F274T188-Q272 PolarHBondContact O-N 2.87Å; A189-Q272 WeakPolarHBondContact CA-O 3.32Å; L190-Q272 PolarHBondContact N-O 3.31Å; Q272-F274 HydrophobicContact CB-CE2 4.12Å; Q272-F274 HydrophobicContact CB-CZ 4.16Å; Q272-F274 HydrophobicContact CG-CD1 4.46Å; Q272-F274 HydrophobicContact CG-CD2 4.43Å; Q272-F274 HydrophobicContact CG-CE1 3.86Å; Q272-F274 HydrophobicContact CG-CE2 3.8Å; Q272-F274 HydrophobicContact CG-CZ 3.49Å; Q272-F274 VanDerWaalsContact CG-CZ 3.49Å
273V90.7Very high89.9Confident2 Ų262.3 Ų62.31%0.01235%0.348CS..EExtended strand (participates in β ladder)trans-108.9121.8176-172.40000109.5L190 V192 I196 A244 S245 S249L190-V273 CarbonylContact O-C 3.56Å; L190-V273 VanDerWaalsContact O-CA 3.29Å; L190-V273 WeakPolarHBondContact O-CA 3.45Å; V192-V273 HydrophobicContact CG2-CG1 4Å; I196-V273 HydrophobicContact CD1-CG2 4.02Å; A244-V273 HydrophobicContact CB-CG1 4.03Å; A244-V273 HydrophobicContact CB-CG2 3.95Å; S245-V273 WeakPolarHBondContact O-CB 3.34Å; S249-V273 PolarHBondContact OG-N 2.85Å; S249-V273 PolarHBondContact OG-O 3.07Å
274F88.7Confident90.6Very high45 Ų4564.2 Ų64.220%0.19735%0.354CS..EExtended strand (participates in β ladder)trans-98.2140.7-178.3-61.3-82.5000111.4A189 L190 L191 V192 Q272 G276 F278 F306 T337A189-F274 HydrophobicContact CB-CD2 4.45Å; A189-F274 HydrophobicContact CB-CE2 3.83Å; L190-F274 PolarHBondContact O-N 3.11Å; L191-F274 HydrophobicContact CD2-CB 4.3Å; V192-F274 WeakPolarHBondContact CG2-O 3.21Å; V192-F274 PolarHBondContact N-O 2.96Å; Q272-F274 HydrophobicContact CB-CE2 4.12Å; Q272-F274 HydrophobicContact CB-CZ 4.16Å; Q272-F274 HydrophobicContact CG-CD1 4.46Å; Q272-F274 HydrophobicContact CG-CD2 4.43Å; Q272-F274 HydrophobicContact CG-CE1 3.86Å; Q272-F274 HydrophobicContact CG-CE2 3.8Å; Q272-F274 HydrophobicContact CG-CZ 3.49Å; Q272-F274 VanDerWaalsContact CG-CZ 3.49Å; F274-G276 VanDerWaalsContact C-N 3.28Å; F274-G276 PolarHBondContact O-N 3Å; F274-F278 HydrophobicContact CB-CE1 4.37Å; F274-F278 HydrophobicContact CD1-CD1 4.37Å; F274-F278 AromaticContact CD1-CE1 3.55Å; F274-F278 HydrophobicContact CD1-CE1 3.55Å; F274-F278 HydrophobicContact CD1-CZ 4.24Å; F274-F278 HydrophobicContact CD2-CE1 4.29Å; F274-F278 AromaticContact CE1-CE1 3.79Å; F274-F278 HydrophobicContact CE1-CE1 3.79Å; F274-F278 HydrophobicContact CE1-CZ 4Å; F274-F278 HydrophobicContact CE2-CE1 4.5Å; F274-F278 AromaticContact CG-CE1 3.81Å; F274-F278 HydrophobicContact CG-CE1 3.81Å; F274-F278 HydrophobicContact CZ-CE1 4.26Å; F274-F278 HydrophobicContact CZ-CZ 4.25Å; F274-F306 HydrophobicContact CD2-CD1 4.08Å; F274-F306 HydrophobicContact CD2-CE1 4.3Å; F274-T337 HydrophobicContact CE2-CG2 3.66Å; F274-T337 HydrophobicContact CZ-CG2 3.9Å
275A85.5Confident90.9Very high86 Ų8662.1 Ų62.171%0.71134%0.339SS*.SBendtrans-70.4-21.5-177.800000114T246T246-A275 HydrophobicContact CG2-CB 4.17Å
276G84.3Confident91.1Very high37 Ų3768.9 Ų68.938%0.38136%0.363SS..SBendtrans-171.6175.8-179.800000111.5F274F274-G276 VanDerWaalsContact C-N 3.28Å; F274-G276 PolarHBondContact O-N 3Å
277E86.9Confident91Very high105 Ų10571.4 Ų71.449%0.49137%0.374SS..  trans-68.6146.2177.6-48.1-176.8164.100110.8L191 F306L191-E277 HydrophobicContact CD1-CG 4.31Å; E277-F306 VanDerWaalsContact CA-O 3.26Å; E277-F306 WeakPolarHBondContact CA-O 3.47Å; E277-F306 WeakPolarHBondContact CB-O 3.47Å
278F87.5Confident91Very high56 Ų5673.6 Ų73.625%0.24639%0.385CS..EExtended strand (participates in β ladder)trans-144.7153.217762-90.1000111.2F274 S305 F306 T337 N362F274-F278 HydrophobicContact CB-CE1 4.37Å; F274-F278 HydrophobicContact CD1-CD1 4.37Å; F274-F278 AromaticContact CD1-CE1 3.55Å; F274-F278 HydrophobicContact CD1-CE1 3.55Å; F274-F278 HydrophobicContact CD1-CZ 4.24Å; F274-F278 HydrophobicContact CD2-CE1 4.29Å; F274-F278 AromaticContact CE1-CE1 3.79Å; F274-F278 HydrophobicContact CE1-CE1 3.79Å; F274-F278 HydrophobicContact CE1-CZ 4Å; F274-F278 HydrophobicContact CE2-CE1 4.5Å; F274-F278 AromaticContact CG-CE1 3.81Å; F274-F278 HydrophobicContact CG-CE1 3.81Å; F274-F278 HydrophobicContact CZ-CE1 4.26Å; F274-F278 HydrophobicContact CZ-CZ 4.25Å; F278-S305 VanDerWaalsContact O-CA 3.26Å; F278-S305 WeakPolarHBondContact O-CA 3.39Å; F278-S305 PolarHBondContact O-OG 2.81Å; F278-F306 HydrophobicContact CD1-CB 4.1Å; F278-F306 HydrophobicContact CE1-CB 3.5Å; F278-F306 VanDerWaalsContact CE1-CB 3.5Å; F278-F306 HydrophobicContact CE1-CG 4.49Å; F278-F306 HydrophobicContact CE2-CB 4.4Å; F278-F306 HydrophobicContact CZ-CB 3.68Å; F278-F306 PolarHBondContact N-O 3.02Å; F278-F306 PolarHBondContact O-N 2.89Å; F278-T337 HydrophobicContact CZ-CG2 4.16Å; F278-N362 PolarHBondContact O-ND2 2.79Å
279L90.4Very high90.9Very high17 Ų1770.1 Ų70.19%0.08937%0.369CS..EExtended strand (participates in β ladder)trans-144.9127.2172.7173.759.3000109I303 S304 V360 N362 Q365 H367L279-I303 HydrophobicContact CD1-CG2 4.24Å; L279-S304 CarbonylContact C-O 3.58Å; L279-S304 WeakPolarHBondContact CA-O 3.25Å; L279-V360 HydrophobicContact CD1-CB 4.15Å; L279-V360 HydrophobicContact CD1-CG1 3.45Å; L279-V360 VanDerWaalsContact CD1-CG1 3.45Å; L279-V360 HydrophobicContact CD2-CG1 4.38Å; L279-N362 HydrophobicContact CB-CB 4.42Å; L279-N362 HydrophobicContact CD2-CB 4.2Å; L279-Q365 HydrophobicContact CD2-CB 4.16Å; L279-H367 HydrophobicContact CD2-CB 4.16Å; L279-H367 HydrophobicContact CG-CB 4.49Å
280S90.9Very high90.7Very high67 Ų6770.8 Ų70.847%0.46938%0.377SS..EExtended strand (participates in β ladder)trans-145.7134.6177.6178.40000110.3I303 S304S280-I303 WeakPolarHBondContact O-CA 3.27Å; S280-S304 PolarHBondContact N-O 2.82Å; S280-S304 PolarHBondContact O-N 2.94Å
281I93.8Very high90.5Very high24 Ų2467.6 Ų67.612%0.12335%0.35CS..EExtended strand (participates in β ladder)trans-115.3129176.8-50.9173.1000108.3A301 I303 L358 V360 H367 V369I281-A301 HydrophobicContact CG2-CB 4.29Å; I281-I303 HydrophobicContact CG2-CG1 4.43Å; I281-L358 HydrophobicContact CG2-CD2 4.05Å; I281-V360 HydrophobicContact CD1-CB 3.82Å; I281-V360 HydrophobicContact CD1-CG2 3.5Å; I281-V360 HydrophobicContact CG1-CB 4.26Å; I281-V360 HydrophobicContact CG1-CG2 3.9Å; I281-H367 HydrophobicContact CD1-CB 3.6Å; I281-H367 WeakPolarHBondContact CD1-O 3.4Å; I281-H367 HydrophobicContact CG1-CB 4.22Å; I281-V369 HydrophobicContact CB-CG2 4.16Å; I281-V369 HydrophobicContact CD1-CG2 4.27Å; I281-V369 HydrophobicContact CG2-CG2 3.86Å
282K94.2Very high90.3Very high147 Ų14772.6 Ų72.664%0.63937%0.373SS*.EExtended strand (participates in β ladder)trans-118.497.9173.3-172.4-179.8178.6-174.30109.1T302K282-T302 PolarHBondContact N-O 2.88Å; K282-T302 PolarHBondContact O-N 2.92Å
283P94.1Very high89.9Confident49 Ų4971.3 Ų71.332%0.31837%0.369SS..EExtended strand (participates in β ladder)trans-72.5143.8176.532.1-37.1000111.2F285 V369P283-F285 HydrophobicContact CB-CD1 4.02Å; P283-F285 HydrophobicContact CB-CD2 4.15Å; P283-F285 HydrophobicContact CB-CE1 3.73Å; P283-F285 HydrophobicContact CB-CE2 3.86Å; P283-F285 HydrophobicContact CB-CG 4.24Å; P283-F285 HydrophobicContact CB-CZ 3.65Å; P283-V369 HydrophobicContact CB-CG1 3.93Å; P283-V369 HydrophobicContact CG-CG1 3.85Å
284E93.9Very high89.5Confident113 Ų11376.9 Ų76.953%0.52840%0.399SS..SBendtrans-10424171.1-61.1-176.8-165.900111.5I300E284-I300 HydrophobicContact CB-CB 4.34Å; E284-I300 WeakPolarHBondContact CB-O 3.46Å; E284-I300 PolarHBondContact N-O 3.48Å
285F92.5Very high89.3Confident22 Ų2277.1 Ų77.110%0.09640%0.403CS..SBendtrans-131.8161.8179.654.7-101.5000111.3P283 F299 I300 A301 W313 V369 L371P283-F285 HydrophobicContact CB-CD1 4.02Å; P283-F285 HydrophobicContact CB-CD2 4.15Å; P283-F285 HydrophobicContact CB-CE1 3.73Å; P283-F285 HydrophobicContact CB-CE2 3.86Å; P283-F285 HydrophobicContact CB-CG 4.24Å; P283-F285 HydrophobicContact CB-CZ 3.65Å; F285-F299 HydrophobicContact CB-CD1 3.9Å; F285-F299 HydrophobicContact CD1-CB 3.96Å; F285-F299 HydrophobicContact CG-CB 4.48Å; F285-F299 HydrophobicContact CG-CD1 4.44Å; F285-I300 WeakPolarHBondContact CD1-O 2.95Å; F285-A301 HydrophobicContact CE1-CB 4.26Å; F285-W313 AromaticContact CE1-CH2 3.8Å; F285-W313 HydrophobicContact CE1-CH2 3.8Å; F285-W313 AromaticContact CZ-CH2 4Å; F285-W313 HydrophobicContact CZ-CH2 4Å; F285-V369 HydrophobicContact CE2-CG1 3.8Å; F285-V369 HydrophobicContact CZ-CG1 3.93Å; F285-L371 HydrophobicContact CB-CD2 4.28Å; F285-L371 HydrophobicContact CD1-CD2 4.17Å; F285-L371 HydrophobicContact CD2-CB 3.74Å; F285-L371 HydrophobicContact CD2-CD2 3.52Å; F285-L371 HydrophobicContact CD2-CG 4.25Å; F285-L371 HydrophobicContact CE1-CD2 4.36Å; F285-L371 HydrophobicContact CE2-CB 3.95Å; F285-L371 HydrophobicContact CE2-CD2 3.74Å; F285-L371 HydrophobicContact CE2-CG 4.37Å; F285-L371 HydrophobicContact CG-CD2 3.74Å; F285-L371 HydrophobicContact CZ-CD2 4.16Å
286R91.7Very high89.3Confident192 Ų19277 Ų7773%0.72539%0.392SS*.  trans-95.4165.9178.2-58.7179.2179-174.31.5111.7H288 E289 L371R286-H288 PolarHBondContact O-N 2.81Å; R286-E289 WeakPolarHBondContact CB-OE1 3.03Å; R286-E289 PolarHBondContact N-OE1 2.86Å; R286-L371 WeakPolarHBondContact O-CB 3.4Å
287D90.4Very high89.6Confident120 Ų12079.6 Ų79.664%0.64239%0.391SS*.SBendtrans-62.4-25.2176.7-57.1-16.8000113.1N372D287-N372 PolarHBondContact O-N 3Å
288H92.2Very high89.8Confident141 Ų14180.1 Ų80.165%0.65339%0.393SS*.EExtended strand (participates in β ladder)trans-132.4121.5178.4-62.772.1000109.5R286 N372R286-H288 PolarHBondContact O-N 2.81Å; H288-N372 WeakPolarHBondContact CA-O 3.35Å
289E92.1Very high90.1Very high48 Ų4877.9 Ų77.922%0.22438%0.384CS..EExtended strand (participates in β ladder)trans-127.5153.2-179.1-69-69.6171.500109.8R286 F299 N372 L373 V374R286-E289 WeakPolarHBondContact CB-OE1 3.03Å; R286-E289 PolarHBondContact N-OE1 2.86Å; E289-F299 HydrophobicContact CB-CE1 3.96Å; E289-F299 HydrophobicContact CB-CZ 4.32Å; E289-F299 HydrophobicContact CG-CE1 3.81Å; E289-N372 PolarHBondContact N-O 3.25Å; E289-L373 HydrophobicContact CB-CD1 4.3Å; E289-L373 WeakPolarHBondContact O-CA 3.4Å; E289-V374 PolarHBondContact O-N 3.35Å
290S89.9Confident90.2Very high49 Ų4978.7 Ų78.734%0.34339%0.387SS..EExtended strand (participates in β ladder)trans-133.9141.5177.970.80000110.9V374 K376S290-V374 VanDerWaalsContact CA-O 3.24Å; S290-V374 WeakPolarHBondContact CA-O 3.4Å; S290-K376 VanDerWaalsContact OG-CE 3.24Å; S290-K376 WeakPolarHBondContact OG-CE 3.34Å
291A88.9Confident90.4Very high1 Ų175.5 Ų75.51%0.00837%0.365CS..EExtended strand (participates in β ladder)trans-131.3150.9-179.800000110.7R297 V348 L373 V374 V375 K376A291-R297 HydrophobicContact CB-CG 3.9Å; A291-V348 HydrophobicContact CB-CB 4.33Å; A291-V348 HydrophobicContact CB-CG1 3.87Å; A291-V348 HydrophobicContact CB-CG2 4.04Å; A291-L373 HydrophobicContact CB-CD1 3.98Å; A291-V374 PolarHBondContact N-O 3.27Å; A291-V375 CarbonylContact O-C 3.59Å; A291-V375 WeakPolarHBondContact O-CA 3.35Å; A291-K376 PolarHBondContact O-N 3.07Å
292E86.7Confident90.4Very high107 Ų10776 Ų7650%0.537%0.369SS..EExtended strand (participates in β ladder)trans-90.6159.4173.2-66.3178.6-168.100109.9D295E292-D295 HydrophobicContact CB-CB 4.49Å; E292-D295 VanDerWaalsContact O-CB 3.23Å; E292-D295 WeakPolarHBondContact O-CB 3.25Å; E292-D295 PolarHBondContact O-N 2.79Å
293L83.6Confident90.4Very high69 Ų6969 Ų6936%0.36134%0.339SS..THydrogen-bonded Turntrans-58.3141175-72.5173.5000111.1D295 V348 V375 V377L293-D295 PolarHBondContact O-N 3.16Å; L293-D295 VanDerWaalsContact O-N 3.12Å; L293-V348 WeakPolarHBondContact CA-O 3.27Å; L293-V375 HydrophobicContact CD2-CG1 3.95Å; L293-V375 HydrophobicContact CG-CG1 4.47Å; L293-V377 HydrophobicContact CD1-CB 4.42Å; L293-V377 HydrophobicContact CD1-CG1 4.16Å; L293-V377 HydrophobicContact CD1-CG2 4.24Å; L293-V377 HydrophobicContact CD2-CG2 4.31Å; L293-V377 HydrophobicContact CG-CG2 4.32Å
294D81.3Confident90.3Very high119 Ų11968.8 Ų68.864%0.63634%0.339SS*.THydrogen-bonded Turntrans62.96.7-179-59.3-47.7000115.3V348D294-V348 PolarHBondContact N-O 2.8Å
295D84Confident90.1Very high51 Ų5163.4 Ų63.427%0.27331%0.314SS..  trans-69.2159.1174.2-163.112000111.1E292 L293 R297 R347 V348E292-D295 HydrophobicContact CB-CB 4.49Å; E292-D295 VanDerWaalsContact O-CB 3.23Å; E292-D295 WeakPolarHBondContact O-CB 3.25Å; E292-D295 PolarHBondContact O-N 2.79Å; L293-D295 PolarHBondContact O-N 3.16Å; L293-D295 VanDerWaalsContact O-N 3.12Å; D295-R297 IonicContact OD2-CZ 2.87Å; D295-R297 VanDerWaalsContact OD2-CZ 3.3Å; D295-R297 IonicContact OD2-NE 2.79Å; D295-R297 PolarHBondContact OD2-NE 3.23Å; D295-R297 IonicContact OD2-NH2 3.91Å; D295-R297 PolarHBondContact OD2-NH2 2.99Å; D295-R347 WeakPolarHBondContact O-CA 3.46Å; D295-R347 PolarHBondContact O-N 2.86Å; D295-V348 WeakPolarHBondContact O-CG2 3.48Å; D295-V348 PolarHBondContact O-N 2.8Å
296V86.4Confident89.8Confident82 Ų8263.2 Ų63.250%0.49731%0.313SS..EExtended strand (participates in β ladder)trans-110.4119.4172.1-179.60000108.3T344 L345V296-T344 HydrophobicContact CG1-CG2 4.29Å; V296-L345 WeakPolarHBondContact CA-O 3.34Å
297R89.3Confident89.4Confident93 Ų9356.2 Ų56.235%0.35129%0.292SS..EExtended strand (participates in β ladder)trans-123.1133.8-175.7-73.8-72.4169164.9-3112.3A291 D295 F299 T344 L345 V348A291-R297 HydrophobicContact CB-CG 3.9Å; D295-R297 IonicContact OD2-CZ 2.87Å; D295-R297 VanDerWaalsContact OD2-CZ 3.3Å; D295-R297 IonicContact OD2-NE 2.79Å; D295-R297 PolarHBondContact OD2-NE 3.23Å; D295-R297 IonicContact OD2-NH2 3.91Å; D295-R297 PolarHBondContact OD2-NH2 2.99Å; R297-F299 HydrophobicContact CB-CE2 4.33Å; R297-F299 HydrophobicContact CB-CZ 4.32Å; R297-T344 CarbonylContact O-C 3.55Å; R297-T344 WeakPolarHBondContact O-CA 3.42Å; R297-L345 HydrophobicContact CB-CB 4.48Å; R297-L345 PolarHBondContact N-O 2.02Å; R297-L345 PolarHBondContact O-N 2.87Å; R297-V348 HydrophobicContact CB-CG2 4.46Å; R297-V348 HydrophobicContact CG-CG2 4.34Å
298E91.5Very high89.1Confident116 Ų11656 Ų5654%0.54229%0.291SS..EExtended strand (participates in β ladder)trans-118.8128.9177.8-61.6-169.1145.600110.7I342 L343 T344E298-I342 HydrophobicContact CB-CG2 4.43Å; E298-L343 CarbonylContact C-O 3.52Å; E298-L343 WeakPolarHBondContact CA-O 3.49Å; E298-T344 HydrophobicContact CG-CG2 3.94Å
299F93.5Very high88.8Confident9 Ų950 Ų504%0.03927%0.266CS..EExtended strand (participates in β ladder)trans-113.9116173.9-56.1-71.2000109.1F285 E289 R297 W313 I342 L343 L345 L371 L373F285-F299 HydrophobicContact CB-CD1 3.9Å; F285-F299 HydrophobicContact CD1-CB 3.96Å; F285-F299 HydrophobicContact CG-CB 4.48Å; F285-F299 HydrophobicContact CG-CD1 4.44Å; E289-F299 HydrophobicContact CB-CE1 3.96Å; E289-F299 HydrophobicContact CB-CZ 4.32Å; E289-F299 HydrophobicContact CG-CE1 3.81Å; R297-F299 HydrophobicContact CB-CE2 4.33Å; R297-F299 HydrophobicContact CB-CZ 4.32Å; F299-W313 HydrophobicContact CB-CH2 4.38Å; F299-I342 WeakPolarHBondContact O-CA 3.29Å; F299-L343 HydrophobicContact CB-CB 4.33Å; F299-L343 HydrophobicContact CD2-CD2 3.94Å; F299-L343 HydrophobicContact CD2-CG 4.3Å; F299-L343 PolarHBondContact N-O 2.84Å; F299-L343 PolarHBondContact O-N 2.89Å; F299-L345 HydrophobicContact CE2-CD1 3.83Å; F299-L345 HydrophobicContact CE2-CG 4.37Å; F299-L371 HydrophobicContact CB-CD2 3.95Å; F299-L371 HydrophobicContact CD1-CD2 3.62Å; F299-L371 HydrophobicContact CD2-CD2 4.12Å; F299-L371 HydrophobicContact CE1-CD1 4.24Å; F299-L371 HydrophobicContact CE1-CD2 4.13Å; F299-L371 HydrophobicContact CE2-CD1 4.36Å; F299-L371 HydrophobicContact CG-CD2 3.61Å; F299-L371 HydrophobicContact CZ-CD1 4.14Å; F299-L373 HydrophobicContact CZ-CD1 4.14Å
300I94Very high88.7Confident33 Ų3353.1 Ų53.117%0.16928%0.28CS..EExtended strand (participates in β ladder)trans-109.3138-172.5-55.9176.5000109.7E284 F285 R340 S341 I342E284-I300 HydrophobicContact CB-CB 4.34Å; E284-I300 WeakPolarHBondContact CB-O 3.46Å; E284-I300 PolarHBondContact N-O 3.48Å; F285-I300 WeakPolarHBondContact CD1-O 2.95Å; I300-R340 HydrophobicContact CG2-CG 4.15Å; I300-S341 WeakPolarHBondContact CA-O 3.17Å; I300-I342 HydrophobicContact CG1-CG1 4.25Å; I300-I342 HydrophobicContact CG1-CG2 4.17Å; I300-I342 HydrophobicContact CG2-CG1 4.45Å
301A94.6Very high88.7Confident0 Ų051.9 Ų51.90%027%0.271CS..EExtended strand (participates in β ladder)trans-133.3130.3168.500000110.9I281 F285 S341 L358I281-A301 HydrophobicContact CG2-CB 4.29Å; F285-A301 HydrophobicContact CE1-CB 4.26Å; A301-S341 PolarHBondContact N-O 3.39Å; A301-S341 PolarHBondContact O-N 2.85Å; A301-L358 HydrophobicContact CB-CD2 3.26Å
302T94.3Very high88.8Confident34 Ų3453 Ų5321%0.20928%0.277CS..EExtended strand (participates in β ladder)trans-92.4125.1171.9-60.50000109.2K282K282-T302 PolarHBondContact N-O 2.88Å; K282-T302 PolarHBondContact O-N 2.92Å
303I94.1Very high89.1Confident0 Ų048.3 Ų48.30%026%0.255CS..EExtended strand (participates in β ladder)trans-113.3132.3-176.9-58.3159.8000107.6L279 S280 I281 V311 S338 Y339 L358 V360L279-I303 HydrophobicContact CD1-CG2 4.24Å; S280-I303 WeakPolarHBondContact O-CA 3.27Å; I281-I303 HydrophobicContact CG2-CG1 4.43Å; I303-V311 HydrophobicContact CD1-CB 4.41Å; I303-V311 HydrophobicContact CD1-CG1 3.77Å; I303-V311 HydrophobicContact CD1-CG2 3.69Å; I303-S338 CarbonylContact O-C 3.49Å; I303-S338 VanDerWaalsContact O-CA 3.28Å; I303-S338 WeakPolarHBondContact O-CA 3.44Å; I303-S338 PolarHBondContact O-OG 2.89Å; I303-Y339 HydrophobicContact CG2-CD2 4.27Å; I303-Y339 PolarHBondContact N-O 2.79Å; I303-Y339 PolarHBondContact O-N 3.28Å; I303-L358 HydrophobicContact CD1-CD2 4.44Å; I303-V360 HydrophobicContact CD1-CG2 3.64Å; I303-V360 HydrophobicContact CG1-CG2 4.06Å; I303-V360 HydrophobicContact CG2-CG1 3.92Å; I303-V360 HydrophobicContact CG2-CG2 4.38Å
304S91.4Very high89.4Confident46 Ų4646.2 Ų46.232%0.32224%0.244SC..EExtended strand (participates in β ladder)trans-118113.6171.3-59.50000108.1L279 S280 T337L279-S304 CarbonylContact C-O 3.58Å; L279-S304 WeakPolarHBondContact CA-O 3.25Å; S280-S304 PolarHBondContact N-O 2.82Å; S280-S304 PolarHBondContact O-N 2.94Å; S304-T337 CarbonylContact C-O 3.52Å; S304-T337 VanDerWaalsContact CA-O 3.32Å; S304-T337 WeakPolarHBondContact CA-O 3.48Å
305S89.9Confident89.8Confident0 Ų042.4 Ų42.40%022%0.222CC..EExtended strand (participates in β ladder)trans-145.8143-176.8-1710000111.9F278 P307 A309 T337 N362F278-S305 VanDerWaalsContact O-CA 3.26Å; F278-S305 WeakPolarHBondContact O-CA 3.39Å; F278-S305 PolarHBondContact O-OG 2.81Å; S305-P307 PolarHBondContact OG-O 2.85Å; S305-A309 WeakPolarHBondContact OG-CB 3.16Å; S305-T337 PolarHBondContact N-O 2.98Å; S305-T337 CarbonylContact O-C 3.49Å; S305-T337 VanDerWaalsContact O-CA 3.24Å; S305-T337 WeakPolarHBondContact O-CA 3.42Å; S305-N362 WeakPolarHBondContact OG-CB 3.46Å; S305-N362 PolarHBondContact OG-ND2 3.09Å
306F86.2Confident89.9Confident18 Ų1844.5 Ų44.58%0.07923%0.233CC..EExtended strand (participates in β ladder)trans-151.5130.1167.2-169-115.1000109.4A189 L191 F274 E277 F278 T337 N362A189-F306 HydrophobicContact CB-CD2 4.31Å; A189-F306 HydrophobicContact CB-CE2 3.85Å; A189-F306 HydrophobicContact CB-CZ 4.11Å; A189-F306 WeakPolarHBondContact O-CZ 3.43Å; L191-F306 HydrophobicContact CB-CE1 4.48Å; L191-F306 HydrophobicContact CD2-CD1 3.65Å; L191-F306 HydrophobicContact CD2-CE1 3.65Å; L191-F306 HydrophobicContact CG-CD1 4.04Å; L191-F306 HydrophobicContact CG-CE1 3.57Å; F274-F306 HydrophobicContact CD2-CD1 4.08Å; F274-F306 HydrophobicContact CD2-CE1 4.3Å; E277-F306 VanDerWaalsContact CA-O 3.26Å; E277-F306 WeakPolarHBondContact CA-O 3.47Å; E277-F306 WeakPolarHBondContact CB-O 3.47Å; F278-F306 HydrophobicContact CD1-CB 4.1Å; F278-F306 HydrophobicContact CE1-CB 3.5Å; F278-F306 VanDerWaalsContact CE1-CB 3.5Å; F278-F306 HydrophobicContact CE1-CG 4.49Å; F278-F306 HydrophobicContact CE2-CB 4.4Å; F278-F306 HydrophobicContact CZ-CB 3.68Å; F278-F306 PolarHBondContact N-O 3.02Å; F278-F306 PolarHBondContact O-N 2.89Å; F306-T337 HydrophobicContact CB-CG2 3.95Å; F306-T337 HydrophobicContact CD2-CG2 3.79Å; F306-T337 HydrophobicContact CG-CG2 4.02Å; F306-N362 VanDerWaalsContact C-ND2 3.28Å; F306-N362 PolarHBondContact O-ND2 2.99Å; F306-N362 VanDerWaalsContact O-ND2 3.16Å
307P82.9Confident89.7Confident45 Ų4543.6 Ų43.629%0.29224%0.24SC..SBendcis-64.1-172.5-3.2-2134.3000114.7S305 A309 N362S305-P307 PolarHBondContact OG-O 2.85Å; P307-A309 PolarHBondContact O-N 3.06Å; P307-N362 PolarHBondContact O-ND2 3.12Å; P307-N362 PolarHBondContact O-OD1 3.22Å
308D83.6Confident89.5Confident115 Ų11544.1 Ų44.162%0.61525%0.253SS*.PPolyproline II helixtrans-51.8132.2-176.9-69.3-46.3000112.5Y339D308-Y339 WeakPolarHBondContact CA-OH 3.4Å; D308-Y339 PolarHBondContact OD1-OH 2.8Å
309A86.7Confident89.1Confident14 Ų1443.1 Ų43.112%0.11625%0.251CS..PPolyproline II helixtrans-102144.4179.800000112.8S305 P307 Y339 V360 E361 N362S305-A309 WeakPolarHBondContact OG-CB 3.16Å; P307-A309 PolarHBondContact O-N 3.06Å; A309-Y339 HydrophobicContact CB-CE2 4.49Å; A309-V360 HydrophobicContact CB-CG1 3.69Å; A309-E361 CarbonylContact C-O 3.55Å; A309-E361 VanDerWaalsContact CA-O 3.28Å; A309-E361 WeakPolarHBondContact CA-O 3.24Å; A309-N362 HydrophobicContact CB-CB 4.29Å
310H89.3Confident88.3Confident114 Ų11444.5 Ų44.553%0.52826%0.259SS..EExtended strand (participates in β ladder)trans-90.2124.2168.9-173.5-100.8000109.7T312 V360 E361H310-T312 WeakPolarHBondContact CE1-CG2 3.43Å; H310-V360 CarbonylContact O-C 3.51Å; H310-V360 WeakPolarHBondContact O-CA 3.34Å; H310-E361 HydrophobicContact CB-CB 4.42Å; H310-E361 PolarHBondContact N-O 3.46Å; H310-E361 PolarHBondContact O-N 2.73Å
311V91.7Very high86.4Confident24 Ų2446.4 Ų46.415%0.14528%0.275CS..EExtended strand (participates in β ladder)trans-118.2129-173.9-177.20000109.6I303 L331 L358 V360I303-V311 HydrophobicContact CD1-CB 4.41Å; I303-V311 HydrophobicContact CD1-CG1 3.77Å; I303-V311 HydrophobicContact CD1-CG2 3.69Å; V311-L331 HydrophobicContact CB-CD1 3.96Å; V311-L331 HydrophobicContact CB-CD2 3.98Å; V311-L331 HydrophobicContact CG1-CD1 4.04Å; V311-L331 HydrophobicContact CG2-CD1 3.87Å; V311-L331 HydrophobicContact CG2-CD2 4.06Å; V311-L358 HydrophobicContact CG1-CD1 3.48Å; V311-L358 VanDerWaalsContact CG1-CD1 3.48Å; V311-V360 HydrophobicContact CG1-CG2 4.2Å; V311-V360 HydrophobicContact CG2-CG1 4.04Å; V311-V360 HydrophobicContact CG2-CG2 4.22Å
312T91Very high84.4Confident23 Ų2354 Ų5414%0.14132%0.316CS..EExtended strand (participates in β ladder)trans-137.8143.3-177.4510000111.3H310 L319 R359H310-T312 WeakPolarHBondContact CE1-CG2 3.43Å; T312-L319 HydrophobicContact CG2-CD1 4.15Å; T312-R359 PolarHBondContact N-O 3.22Å; T312-R359 PolarHBondContact O-N 2.77Å; T312-R359 WeakPolarHBondContact OG1-CB 3.35Å; T312-R359 PolarHBondContact OG1-O 3.03Å
313W91.9Very high82.1Confident10 Ų1059.7 Ų59.74%0.03834%0.344CS..EExtended strand (participates in β ladder)trans-107.5142.1170-78.295.9000110.7F285 F299 L320 T329 S341 L343 T357 L358F285-W313 AromaticContact CE1-CH2 3.8Å; F285-W313 HydrophobicContact CE1-CH2 3.8Å; F285-W313 AromaticContact CZ-CH2 4Å; F285-W313 HydrophobicContact CZ-CH2 4Å; F299-W313 HydrophobicContact CB-CH2 4.38Å; W313-L320 HydrophobicContact CB-CD1 3.93Å; W313-L320 PolarHBondContact O-N 2.83Å; W313-T329 HydrophobicContact CB-CG2 3.9Å; W313-T329 HydrophobicContact CG-CG2 3.91Å; W313-S341 PolarHBondContact NE1-OG 2.84Å; W313-L343 HydrophobicContact CD2-CB 4.02Å; W313-L343 HydrophobicContact CD2-CD2 4.2Å; W313-L343 HydrophobicContact CE3-CB 4.37Å; W313-L343 HydrophobicContact CE3-CD2 3.79Å; W313-L343 HydrophobicContact CH2-CB 4.1Å; W313-L343 HydrophobicContact CH2-CD2 4.2Å; W313-L343 HydrophobicContact CZ2-CB 3.74Å; W313-L343 HydrophobicContact CZ3-CB 4.41Å; W313-L343 HydrophobicContact CZ3-CD2 3.79Å; W313-T357 CarbonylContact C-O 3.48Å; W313-T357 WeakPolarHBondContact CA-O 3.33Å; W313-L358 HydrophobicContact CD2-CB 4.08Å; W313-L358 HydrophobicContact CD2-CD1 4.06Å; W313-L358 HydrophobicContact CE3-CB 3.96Å; W313-L358 HydrophobicContact CG-CD1 4.25Å; W313-L358 HydrophobicContact CH2-CB 3.88Å; W313-L358 HydrophobicContact CZ2-CB 3.96Å; W313-L358 HydrophobicContact CZ2-CD1 4.16Å; W313-L358 HydrophobicContact CZ2-CD2 4.17Å; W313-L358 HydrophobicContact CZ2-CG 4.33Å; W313-L358 HydrophobicContact CZ3-CB 3.87Å
314L89.9Confident80Confident24 Ų2463.3 Ų63.313%0.12637%0.366CS..EExtended strand (participates in β ladder)trans-126.2141.9-179.9-59.5138.3000108.9V318 L319 Y356 T357 R359L314-V318 CarbonylContact C-O 3.57Å; L314-V318 WeakPolarHBondContact CA-O 3.29Å; L314-L319 HydrophobicContact CD2-CB 4.45Å; L314-L319 HydrophobicContact CD2-CD1 4.36Å; L314-Y356 CarbonylContact O-C 3.57Å; L314-Y356 VanDerWaalsContact O-CA 3.29Å; L314-Y356 WeakPolarHBondContact O-CA 3.35Å; L314-T357 HydrophobicContact CD1-CG2 4.31Å; L314-T357 PolarHBondContact N-O 3.05Å; L314-T357 PolarHBondContact O-N 2.75Å; L314-R359 HydrophobicContact CD1-CB 3.96Å
315K89.3Confident78.1Confident40 Ų4065 Ų6517%0.17438%0.383CS..EExtended strand (participates in β ladder)trans-116.3122.5167.7-177.6-173.3178.9-170.70108.2G317 V318 L320 E351 D352 N355 Y356K315-G317 PolarHBondContact O-N 2.9Å; K315-G317 VanDerWaalsContact O-N 3.11Å; K315-V318 PolarHBondContact N-O 2.78Å; K315-V318 WeakPolarHBondContact O-CB 3.26Å; K315-V318 PolarHBondContact O-N 3.15Å; K315-L320 HydrophobicContact CB-CD1 4.28Å; K315-L320 HydrophobicContact CB-CD2 3.77Å; K315-L320 HydrophobicContact CB-CG 3.99Å; K315-E351 PolarHBondContact NZ-O 2.65Å; K315-D352 IonicContact NZ-OD1 3.74Å; K315-N355 WeakPolarHBondContact CA-O 3.36Å; K315-Y356 HydrophobicContact CB-CD1 4.18Å; K315-Y356 HydrophobicContact CB-CE1 4.08Å; K315-Y356 HydrophobicContact CD-CE1 3.99Å; K315-Y356 HydrophobicContact CD-CE2 4.41Å; K315-Y356 HydrophobicContact CG-CD1 4.33Å; K315-Y356 HydrophobicContact CG-CE1 3.97Å; K315-Y356 HydrophobicContact CG-CE2 4.28Å
316D87.4Confident77Confident95 Ų9566.6 Ų66.651%0.50839%0.39SS..THydrogen-bonded Turntrans51.535.2-177.9-57.7-50.5000113.5V318 N355D316-V318 VanDerWaalsContact C-N 3.29Å; D316-V318 PolarHBondContact O-N 2.91Å; D316-N355 PolarHBondContact N-O 3.46Å; D316-N355 PolarHBondContact OD1-N 3.08Å
317G82.1Confident76.6Confident63 Ų6366.8 Ų66.865%0.64939%0.392SS*.THydrogen-bonded Turntrans81.1-0.4-178.600000115.2K315K315-G317 PolarHBondContact O-N 2.9Å; K315-G317 VanDerWaalsContact O-N 3.11Å
318V84.3Confident76.6Confident103 Ų10367.1 Ų67.162%0.62440%0.395SS*.EExtended strand (participates in β ladder)trans-97.4136.4175.2-175.20000109.5L314 K315 D316 L320L314-V318 CarbonylContact C-O 3.57Å; L314-V318 WeakPolarHBondContact CA-O 3.29Å; K315-V318 PolarHBondContact N-O 2.78Å; K315-V318 WeakPolarHBondContact O-CB 3.26Å; K315-V318 PolarHBondContact O-N 3.15Å; D316-V318 VanDerWaalsContact C-N 3.29Å; D316-V318 PolarHBondContact O-N 2.91Å; V318-L320 PolarHBondContact O-N 3.11Å
319L83.1Confident76.7Confident95 Ų9564.5 Ų64.550%0.49738%0.383SS..EExtended strand (participates in β ladder)trans-60.7128176.5-167.686.2000109.2T312 L314 S321T312-L319 HydrophobicContact CG2-CD1 4.15Å; L314-L319 HydrophobicContact CD2-CB 4.45Å; L314-L319 HydrophobicContact CD2-CD1 4.36Å; L319-S321 PolarHBondContact O-N 3.23Å
320L76.8Confident76.6Confident38 Ų3866.5 Ų66.520%0.19940%0.397CS..  trans-71.381.3168.1-74.5169.5000108W313 K315 V318 I327 L343 Y356W313-L320 HydrophobicContact CB-CD1 3.93Å; W313-L320 PolarHBondContact O-N 2.83Å; K315-L320 HydrophobicContact CB-CD1 4.28Å; K315-L320 HydrophobicContact CB-CD2 3.77Å; K315-L320 HydrophobicContact CB-CG 3.99Å; V318-L320 PolarHBondContact O-N 3.11Å; L320-I327 HydrophobicContact CD1-CG2 4.33Å; L320-I327 HydrophobicContact CD2-CG2 4.43Å; L320-L343 HydrophobicContact CD1-CD1 4.03Å; L320-Y356 HydrophobicContact CD1-CD1 3.98Å; L320-Y356 HydrophobicContact CD1-CE1 4.09Å
321S54.8Low76.6Confident74 Ų7465.1 Ų65.152%0.51739%0.393SS..  trans-77.5138.3169.457.80000109.5L319 L323L319-S321 PolarHBondContact O-N 3.23Å; S321-L323 PolarHBondContact O-N 2.75Å
322D50.8Low76.4Confident159 Ų15970.7 Ų70.785%0.8542%0.415SS*.SBendtrans-42.658.2-176.8-69.6-37.3000117.7
323L47.1Very low76.1Confident153 Ų15374.6 Ų74.680%0.80143%0.432SS*.  trans-139.514.6-169.7-85.7164.5000116.1S321S321-L323 PolarHBondContact O-N 2.75Å
324T50.6Low75.6Confident76 Ų7678.4 Ų78.447%0.46646%0.456SS..  trans-127.4115.6160.251.30000108.4E326 I327T324-E326 PolarHBondContact O-N 3.38Å; T324-I327 PolarHBondContact O-N 3.09Å; T324-I327 VanDerWaalsContact O-N 3.09Å
325A49.8Very low75.2Confident81 Ų8179.9 Ų79.967%0.66947%0.468SS*.THydrogen-bonded Turntrans-60.22.8179.500000114.7N704A325-N704 PolarHBondContact O-ND2 3.06Å
326E67.9Low74.8Confident34 Ų3480.8 Ų80.816%0.15947%0.473CS..THydrogen-bonded Turntrans-115.4-18.3-173.5-68.2172.9169.900112T324 L345 I346 R349T324-E326 PolarHBondContact O-N 3.38Å; E326-L345 CarbonylContact O-C 3.6Å; E326-I346 WeakPolarHBondContact CB-O 3.39Å; E326-I346 WeakPolarHBondContact O-CB 3.38Å; E326-I346 PolarHBondContact O-N 2.99Å; E326-R349 IonicContact OE1-CZ 2.93Å; E326-R349 IonicContact OE1-NE 3.94Å; E326-R349 IonicContact OE1-NH2 2.7Å; E326-R349 PolarHBondContact OE1-NH2 2.81Å; E326-R349 IonicContact OE2-CZ 3.3Å; E326-R349 IonicContact OE2-NE 2.77Å; E326-R349 PolarHBondContact OE2-NE 3.13Å; E326-R349 IonicContact OE2-NH1 3.74Å; E326-R349 IonicContact OE2-NH2 2.66Å; E326-R349 PolarHBondContact OE2-NH2 3.38Å
327I78Confident74.7Confident22 Ų2277.6 Ų77.611%0.11346%0.457CS..EExtended strand (participates in β ladder)trans-115.6115.8173-52.7-173000107.7L320 T324 L343 T344 L345 Y356L320-I327 HydrophobicContact CD1-CG2 4.33Å; L320-I327 HydrophobicContact CD2-CG2 4.43Å; T324-I327 PolarHBondContact O-N 3.09Å; T324-I327 VanDerWaalsContact O-N 3.09Å; I327-L343 HydrophobicContact CG2-CD1 3.53Å; I327-T344 WeakPolarHBondContact CA-O 3.25Å; I327-L345 HydrophobicContact CB-CD2 4.05Å; I327-L345 HydrophobicContact CD1-CD2 3.63Å; I327-L345 HydrophobicContact CG1-CD2 3.48Å; I327-L345 VanDerWaalsContact CG1-CD2 3.48Å; I327-L345 HydrophobicContact CG2-CD2 3.71Å; I327-Y356 HydrophobicContact CD1-CE1 4.35Å
328S81.9Confident75Confident52 Ų5275.7 Ų75.736%0.36443%0.434SS..EExtended strand (participates in β ladder)trans-117.8139.1178.266.30000110.8T344S328-T344 PolarHBondContact N-O 2.87Å; S328-T344 PolarHBondContact O-N 2.81Å
329T86.1Confident75.4Confident60 Ų6071.3 Ų71.337%0.36841%0.407SS..EExtended strand (participates in β ladder)trans-114.3129.5171.557.70000108.6W313 I342 L343W313-T329 HydrophobicContact CB-CG2 3.9Å; W313-T329 HydrophobicContact CG-CG2 3.91Å; T329-I342 CarbonylContact C-O 3.56Å; T329-I342 WeakPolarHBondContact CA-O 3.37Å; T329-L343 HydrophobicContact CG2-CD1 3.68Å
330S85.4Confident75.8Confident56 Ų5671.6 Ų71.639%0.39240%0.401SS..EExtended strand (participates in β ladder)trans-120.1141.5172.170.10000110.5S341 I342S330-S341 CarbonylContact O-C 3.56Å; S330-S341 WeakPolarHBondContact O-CA 3.46Å; S330-I342 PolarHBondContact N-O 2.83Å; S330-I342 PolarHBondContact O-N 2.85Å; S330-I342 WeakPolarHBondContact OG-CB 3.33Å
331L88.9Confident76.6Confident85 Ų8570 Ų7045%0.44539%0.393SS..EExtended strand (participates in β ladder)trans-123.6114.1173.7-175.669.7000108.1V311V311-L331 HydrophobicContact CB-CD1 3.96Å; V311-L331 HydrophobicContact CB-CD2 3.98Å; V311-L331 HydrophobicContact CG1-CD1 4.04Å; V311-L331 HydrophobicContact CG2-CD1 3.87Å; V311-L331 HydrophobicContact CG2-CD2 4.06Å
332K87.6Confident78.4Confident142 Ų14267.9 Ų67.962%0.61738%0.375SS*.EExtended strand (participates in β ladder)trans-110.8117177.5-175.1175.3-179.7176.40110T334 Y339 R340K332-T334 PolarHBondContact O-N 2.98Å; K332-Y339 CarbonylContact O-C 3.57Å; K332-Y339 WeakPolarHBondContact O-CA 3.44Å; K332-R340 PolarHBondContact N-O 2.83Å; K332-R340 PolarHBondContact O-N 2.8Å
333Q84.3Confident80.4Confident104 Ų10460.3 Ų60.349%0.48634%0.335SS..EExtended strand (participates in β ladder)trans-74.4116.5169.9-168.1170.114.600108.9S335 Y339Q333-S335 WeakPolarHBondContact CG-O 2.92Å; Q333-S335 PolarHBondContact NE2-O 3.18Å; Q333-Y339 HydrophobicContact CB-CD1 4.04Å; Q333-Y339 HydrophobicContact CB-CE1 4.21Å; Q333-Y339 HydrophobicContact CG-CD1 3.97Å; Q333-Y339 HydrophobicContact CG-CE1 3.78Å
334T81.7Confident82.4Confident91 Ų9153.8 Ų53.856%0.55830%0.301SS*.EExtended strand (participates in β ladder)trans-93.4-27.5-179.1-52.50000111.3K332 S338K332-T334 PolarHBondContact O-N 2.98Å; T334-S338 PolarHBondContact N-O 3.03Å
335S80.9Confident84.2Confident54 Ų5450.2 Ų50.238%0.37828%0.279SS..EExtended strand (participates in β ladder)trans-154.1172.9171.260.90000109.2Q333 T337 S338Q333-S335 WeakPolarHBondContact CG-O 2.92Å; Q333-S335 PolarHBondContact NE2-O 3.18Å; S335-T337 PolarHBondContact O-N 2.84Å; S335-S338 PolarHBondContact N-O 2.84Å; S335-S338 PolarHBondContact O-N 2.97Å; S335-S338 VanDerWaalsContact OG-CB 3.28Å; S335-S338 WeakPolarHBondContact OG-CB 3.49Å; S335-S338 PolarHBondContact OG-N 3.45Å
336E81.4Confident85.7Confident60 Ų6049.1 Ų49.128%0.2826%0.262SS..THydrogen-bonded Turntrans-54.2-23.5175.6-71.7-177.7-150.900113.3T188 A189T188-E336 PolarHBondContact N-OE1 2.89Å; T188-E336 PolarHBondContact N-OE2 3.3Å; T188-E336 VanDerWaalsContact N-OE2 3.13Å; T188-E336 PolarHBondContact OG1-OE1 3.11Å; A189-E336 HydrophobicContact CB-CB 3.9Å; A189-E336 WeakPolarHBondContact CB-OE2 3.18Å; A189-E336 PolarHBondContact N-OE2 3.06Å
337T85.6Confident86.3Confident27 Ų2751.8 Ų51.817%0.16627%0.27CS..THydrogen-bonded Turntrans-118.36.3-17967.20000114.9A189 F274 F278 S304 S305 F306 S335A189-T337 HydrophobicContact CB-CG2 3.63Å; F274-T337 HydrophobicContact CE2-CG2 3.66Å; F274-T337 HydrophobicContact CZ-CG2 3.9Å; F278-T337 HydrophobicContact CZ-CG2 4.16Å; S304-T337 CarbonylContact C-O 3.52Å; S304-T337 VanDerWaalsContact CA-O 3.32Å; S304-T337 WeakPolarHBondContact CA-O 3.48Å; S305-T337 PolarHBondContact N-O 2.98Å; S305-T337 CarbonylContact O-C 3.49Å; S305-T337 VanDerWaalsContact O-CA 3.24Å; S305-T337 WeakPolarHBondContact O-CA 3.42Å; F306-T337 HydrophobicContact CB-CG2 3.95Å; F306-T337 HydrophobicContact CD2-CG2 3.79Å; F306-T337 HydrophobicContact CG-CG2 4.02Å; S335-T337 PolarHBondContact O-N 2.84Å
338S88.8Confident86.6Confident24 Ų2450.7 Ų50.717%0.16827%0.265CS..EExtended strand (participates in β ladder)trans-138.6130.1-176.5-173.30000112.7I303 T334 S335I303-S338 CarbonylContact O-C 3.49Å; I303-S338 VanDerWaalsContact O-CA 3.28Å; I303-S338 WeakPolarHBondContact O-CA 3.44Å; I303-S338 PolarHBondContact O-OG 2.89Å; T334-S338 PolarHBondContact N-O 3.03Å; S335-S338 PolarHBondContact N-O 2.84Å; S335-S338 PolarHBondContact O-N 2.97Å; S335-S338 VanDerWaalsContact OG-CB 3.28Å; S335-S338 WeakPolarHBondContact OG-CB 3.49Å; S335-S338 PolarHBondContact OG-N 3.45Å
339Y90.9Very high86.8Confident11 Ų1153 Ų534%0.04327%0.265CS..EExtended strand (participates in β ladder)trans-120.4148.5178.3-47.2-98.7000109.6I303 D308 A309 K332 Q333I303-Y339 HydrophobicContact CG2-CD2 4.27Å; I303-Y339 PolarHBondContact N-O 2.79Å; I303-Y339 PolarHBondContact O-N 3.28Å; D308-Y339 WeakPolarHBondContact CA-OH 3.4Å; D308-Y339 PolarHBondContact OD1-OH 2.8Å; A309-Y339 HydrophobicContact CB-CE2 4.49Å; K332-Y339 CarbonylContact O-C 3.57Å; K332-Y339 WeakPolarHBondContact O-CA 3.44Å; Q333-Y339 HydrophobicContact CB-CD1 4.04Å; Q333-Y339 HydrophobicContact CB-CE1 4.21Å; Q333-Y339 HydrophobicContact CG-CD1 3.97Å; Q333-Y339 HydrophobicContact CG-CE1 3.78Å
340R93.4Very high86.6Confident101 Ų10154 Ų5438%0.38127%0.266SS..EExtended strand (participates in β ladder)trans-117.3114.4170.8-178.9178.6-73.1-119.6-6.3107.5I300 K332 I342I300-R340 HydrophobicContact CG2-CG 4.15Å; K332-R340 PolarHBondContact N-O 2.83Å; K332-R340 PolarHBondContact O-N 2.8Å; R340-I342 HydrophobicContact CG-CD1 4.33Å; R340-I342 HydrophobicContact CG-CG1 4.11Å
341S93.7Very high86.4Confident3 Ų357.1 Ų57.12%0.02127%0.274CS..EExtended strand (participates in β ladder)trans-100.6132.5174.7-1700000109.4I300 A301 W313 S330I300-S341 WeakPolarHBondContact CA-O 3.17Å; A301-S341 PolarHBondContact N-O 3.39Å; A301-S341 PolarHBondContact O-N 2.85Å; W313-S341 PolarHBondContact NE1-OG 2.84Å; S330-S341 CarbonylContact O-C 3.56Å; S330-S341 WeakPolarHBondContact O-CA 3.46Å
342I92.6Very high86.3Confident30 Ų3053.6 Ų53.615%0.15426%0.256CS..EExtended strand (participates in β ladder)trans-130.2123.1-178.8-50.2174.7000107.6E298 F299 I300 T329 S330 R340E298-I342 HydrophobicContact CB-CG2 4.43Å; F299-I342 WeakPolarHBondContact O-CA 3.29Å; I300-I342 HydrophobicContact CG1-CG1 4.25Å; I300-I342 HydrophobicContact CG1-CG2 4.17Å; I300-I342 HydrophobicContact CG2-CG1 4.45Å; T329-I342 CarbonylContact C-O 3.56Å; T329-I342 WeakPolarHBondContact CA-O 3.37Å; S330-I342 PolarHBondContact N-O 2.83Å; S330-I342 PolarHBondContact O-N 2.85Å; S330-I342 WeakPolarHBondContact OG-CB 3.33Å; R340-I342 HydrophobicContact CG-CD1 4.33Å; R340-I342 HydrophobicContact CG-CG1 4.11Å
343L91.6Very high86.3Confident0 Ų048.9 Ų48.90%024%0.241CC..EExtended strand (participates in β ladder)trans-102.2118.316817071.8000108E298 F299 W313 L320 I327 T329 Y356E298-L343 CarbonylContact C-O 3.52Å; E298-L343 WeakPolarHBondContact CA-O 3.49Å; F299-L343 HydrophobicContact CB-CB 4.33Å; F299-L343 HydrophobicContact CD2-CD2 3.94Å; F299-L343 HydrophobicContact CD2-CG 4.3Å; F299-L343 PolarHBondContact N-O 2.84Å; F299-L343 PolarHBondContact O-N 2.89Å; W313-L343 HydrophobicContact CD2-CB 4.02Å; W313-L343 HydrophobicContact CD2-CD2 4.2Å; W313-L343 HydrophobicContact CE3-CB 4.37Å; W313-L343 HydrophobicContact CE3-CD2 3.79Å; W313-L343 HydrophobicContact CH2-CB 4.1Å; W313-L343 HydrophobicContact CH2-CD2 4.2Å; W313-L343 HydrophobicContact CZ2-CB 3.74Å; W313-L343 HydrophobicContact CZ3-CB 4.41Å; W313-L343 HydrophobicContact CZ3-CD2 3.79Å; L320-L343 HydrophobicContact CD1-CD1 4.03Å; I327-L343 HydrophobicContact CG2-CD1 3.53Å; T329-L343 HydrophobicContact CG2-CD1 3.68Å; L343-Y356 HydrophobicContact CD2-CD1 3.43Å; L343-Y356 VanDerWaalsContact CD2-CD1 3.43Å; L343-Y356 HydrophobicContact CD2-CE1 4.05Å; L343-Y356 HydrophobicContact CD2-CG 3.97Å
344T89.1Confident86.6Confident16 Ų1644.5 Ų44.510%0.09822%0.224CC..EExtended strand (participates in β ladder)trans-115.1120.6-179.6-55.40000109.9V296 R297 E298 I327 S328 I346V296-T344 HydrophobicContact CG1-CG2 4.29Å; R297-T344 CarbonylContact O-C 3.55Å; R297-T344 WeakPolarHBondContact O-CA 3.42Å; E298-T344 HydrophobicContact CG-CG2 3.94Å; I327-T344 WeakPolarHBondContact CA-O 3.25Å; S328-T344 PolarHBondContact N-O 2.87Å; S328-T344 PolarHBondContact O-N 2.81Å; T344-I346 HydrophobicContact CG2-CG1 3.92Å
345L88.6Confident87.1Confident1 Ų143 Ų431%0.00521%0.213CC..EExtended strand (participates in β ladder)trans-95.4114.6169-55.1176.5000108.4V296 R297 F299 E326 I327 V348 Y356 L373V296-L345 WeakPolarHBondContact CA-O 3.34Å; R297-L345 HydrophobicContact CB-CB 4.48Å; R297-L345 PolarHBondContact N-O 2.02Å; R297-L345 PolarHBondContact O-N 2.87Å; F299-L345 HydrophobicContact CE2-CD1 3.83Å; F299-L345 HydrophobicContact CE2-CG 4.37Å; E326-L345 CarbonylContact O-C 3.6Å; I327-L345 HydrophobicContact CB-CD2 4.05Å; I327-L345 HydrophobicContact CD1-CD2 3.63Å; I327-L345 HydrophobicContact CG1-CD2 3.48Å; I327-L345 VanDerWaalsContact CG1-CD2 3.48Å; I327-L345 HydrophobicContact CG2-CD2 3.71Å; L345-V348 HydrophobicContact CB-CG2 3.84Å; L345-V348 HydrophobicContact CD1-CG2 4.27Å; L345-Y356 HydrophobicContact CD2-CE1 4.17Å; L345-L373 HydrophobicContact CD1-CD2 3.24Å
346I81.3Confident87.7Confident59 Ų5940.5 Ų40.530%0.30320%0.195SC..EExtended strand (participates in β ladder)trans-101.5110.5-179-54.4173.1000107.1E326 T344E326-I346 WeakPolarHBondContact CB-O 3.39Å; E326-I346 WeakPolarHBondContact O-CB 3.38Å; E326-I346 PolarHBondContact O-N 2.99Å; T344-I346 HydrophobicContact CG2-CG1 3.92Å
347R81.7Confident88.3Confident89 Ų8938.2 Ų38.234%0.33619%0.185SC..SBendtrans61.777.5-173.2-59.1179.5179.3171.2-1.5112.3D295 R349 D703D295-R347 WeakPolarHBondContact O-CA 3.46Å; D295-R347 PolarHBondContact O-N 2.86Å; R347-R349 PolarHBondContact O-N 3.09Å; R347-D703 IonicContact NH2-OD2 2.81Å
348V83.9Confident88.7Confident0 Ų037 Ų370%018%0.177CC..  trans-57.2129.2179.1175.60000111.5A291 L293 D294 D295 R297 L345 D352 V375A291-V348 HydrophobicContact CB-CB 4.33Å; A291-V348 HydrophobicContact CB-CG1 3.87Å; A291-V348 HydrophobicContact CB-CG2 4.04Å; L293-V348 WeakPolarHBondContact CA-O 3.27Å; D294-V348 PolarHBondContact N-O 2.8Å; D295-V348 WeakPolarHBondContact O-CG2 3.48Å; D295-V348 PolarHBondContact O-N 2.8Å; R297-V348 HydrophobicContact CB-CG2 4.46Å; R297-V348 HydrophobicContact CG-CG2 4.34Å; L345-V348 HydrophobicContact CB-CG2 3.84Å; L345-V348 HydrophobicContact CD1-CG2 4.27Å; V348-D352 HydrophobicContact CG1-CB 4.39Å; V348-V375 HydrophobicContact CG1-CB 4.13Å; V348-V375 HydrophobicContact CG1-CG1 3.69Å; V348-V375 HydrophobicContact CG1-CG2 3.31Å
349R84.5Confident88.9Confident99 Ų9940.1 Ų40.137%0.37419%0.186SC..  trans-110.5162.7176.2-62.1178.5176.8-172.63.2111.6E326 R347 E351 D352 V375E326-R349 IonicContact OE1-CZ 2.93Å; E326-R349 IonicContact OE1-NE 3.94Å; E326-R349 IonicContact OE1-NH2 2.7Å; E326-R349 PolarHBondContact OE1-NH2 2.81Å; E326-R349 IonicContact OE2-CZ 3.3Å; E326-R349 IonicContact OE2-NE 2.77Å; E326-R349 PolarHBondContact OE2-NE 3.13Å; E326-R349 IonicContact OE2-NH1 3.74Å; E326-R349 IonicContact OE2-NH2 2.66Å; E326-R349 PolarHBondContact OE2-NH2 3.38Å; R347-R349 PolarHBondContact O-N 3.09Å; R349-E351 HydrophobicContact CB-CG 3.84Å; R349-E351 WeakPolarHBondContact CD-OE1 3.46Å; R349-E351 IonicContact CZ-OE1 3.5Å; R349-E351 IonicContact NE-OE1 3.09Å; R349-E351 IonicContact NH1-OE1 3.58Å; R349-E351 PolarHBondContact NH1-OE1 3.39Å; R349-E351 PolarHBondContact O-N 2.83Å; R349-D352 PolarHBondContact N-OD2 2.9Å; R349-D352 WeakPolarHBondContact O-CB 3.34Å; R349-D352 PolarHBondContact O-N 3.04Å; R349-V375 WeakPolarHBondContact O-CG2 3.44Å
350E82.5Confident89Confident82 Ų8239.6 Ų39.638%0.38318%0.184SC..G310 helixtrans-55.3-37.7175.7-171178.7162.100112.5D352 S353 V377 R402E350-D352 PolarHBondContact O-N 3.23Å; E350-S353 WeakPolarHBondContact O-CB 3.27Å; E350-S353 PolarHBondContact O-N 3.33Å; E350-S353 PolarHBondContact O-OG 2.85Å; E350-V377 HydrophobicContact CB-CG2 4.21Å; E350-V377 HydrophobicContact CG-CG2 4.01Å; E350-R402 IonicContact OE1-CZ 3.93Å; E350-R402 IonicContact OE1-NE 3.15Å; E350-R402 PolarHBondContact OE1-NE 3.29Å; E350-R402 IonicContact OE1-NH2 3.78Å; E350-R402 PolarHBondContact OE1-NH2 3.31Å; E350-R402 IonicContact OE2-CZ 2.9Å; E350-R402 IonicContact OE2-NE 2.75Å; E350-R402 IonicContact OE2-NH2 3.64Å; E350-R402 PolarHBondContact OE2-NH2 2.9Å
351E82.4Confident88.9Confident121 Ų12138.1 Ų38.157%0.56518%0.181SC*.G310 helixtrans-67.5-13.9177.265.8-170.1175.100114.4K315 R349 S353K315-E351 PolarHBondContact NZ-O 2.65Å; R349-E351 HydrophobicContact CB-CG 3.84Å; R349-E351 WeakPolarHBondContact CD-OE1 3.46Å; R349-E351 IonicContact CZ-OE1 3.5Å; R349-E351 IonicContact NE-OE1 3.09Å; R349-E351 IonicContact NH1-OE1 3.58Å; R349-E351 PolarHBondContact NH1-OE1 3.39Å; R349-E351 PolarHBondContact O-N 2.83Å; E351-S353 PolarHBondContact O-N 3.02Å
352D86.3Confident88.6Confident11 Ų1138.2 Ų38.26%0.05918%0.181CC..G310 helixtrans-78.3-9.8175.5-64.5-37.8000113K315 V348 R349 E350 G354 Y356 V375K315-D352 IonicContact NZ-OD1 3.74Å; V348-D352 HydrophobicContact CG1-CB 4.39Å; R349-D352 PolarHBondContact N-OD2 2.9Å; R349-D352 WeakPolarHBondContact O-CB 3.34Å; R349-D352 PolarHBondContact O-N 3.04Å; E350-D352 PolarHBondContact O-N 3.23Å; D352-G354 PolarHBondContact O-N 3.25Å; D352-Y356 WeakPolarHBondContact O-CE2 3.25Å; D352-Y356 PolarHBondContact O-OH 2.8Å; D352-Y356 VanDerWaalsContact O-OH 3.04Å; D352-V375 HydrophobicContact CB-CG2 4.47Å
353S88.4Confident88Confident44 Ų4440.2 Ų40.231%0.30821%0.209SC..  trans-60.1133171.8-54.60000110.5E350 E351 L373 V375E350-S353 WeakPolarHBondContact O-CB 3.27Å; E350-S353 PolarHBondContact O-N 3.33Å; E350-S353 PolarHBondContact O-OG 2.85Å; E351-S353 PolarHBondContact O-N 3.02Å; S353-L373 CarbonylContact C-O 3.53Å; S353-L373 VanDerWaalsContact CA-O 3.25Å; S353-L373 WeakPolarHBondContact CA-O 3.43Å; S353-V375 WeakPolarHBondContact OG-CB 3.37Å; S353-V375 WeakPolarHBondContact OG-CG2 3.49Å; S353-V375 PolarHBondContact OG-N 2.79Å; S353-V375 VanDerWaalsContact OG-N 3.12Å
354G89.5Confident87.4Confident12 Ų1248.5 Ų48.512%0.12425%0.253CS..EExtended strand (participates in β ladder)trans161.3-179.4-175.700000113.5D352 L373D352-G354 PolarHBondContact O-N 3.25Å; G354-L373 PolarHBondContact N-O 3.05Å; G354-L373 PolarHBondContact O-N 3.04Å
355N93.2Very high87.1Confident60 Ų6051.3 Ų51.332%0.32127%0.265SS..EExtended strand (participates in β ladder)trans-98.2111.5178.9-174.620.6000111.1K315 D316 S370 L371K315-N355 WeakPolarHBondContact CA-O 3.36Å; D316-N355 PolarHBondContact N-O 3.46Å; D316-N355 PolarHBondContact OD1-N 3.08Å; N355-S370 WeakPolarHBondContact OD1-CB 3.46Å; N355-L371 CarbonylContact C-O 3.57Å; N355-L371 WeakPolarHBondContact CA-O 3.43Å; N355-L371 PolarHBondContact OD1-O 3.2Å; N355-L371 VanDerWaalsContact OD1-O 3.09Å
356Y92.9Very high87.1Confident0 Ų054.2 Ų54.20%029%0.285CS..EExtended strand (participates in β ladder)trans-95.3126.4177.8-68.7-99.7000110.3L314 K315 L320 I327 L343 L345 D352 S370 L371 L373L314-Y356 CarbonylContact O-C 3.57Å; L314-Y356 VanDerWaalsContact O-CA 3.29Å; L314-Y356 WeakPolarHBondContact O-CA 3.35Å; K315-Y356 HydrophobicContact CB-CD1 4.18Å; K315-Y356 HydrophobicContact CB-CE1 4.08Å; K315-Y356 HydrophobicContact CD-CE1 3.99Å; K315-Y356 HydrophobicContact CD-CE2 4.41Å; K315-Y356 HydrophobicContact CG-CD1 4.33Å; K315-Y356 HydrophobicContact CG-CE1 3.97Å; K315-Y356 HydrophobicContact CG-CE2 4.28Å; L320-Y356 HydrophobicContact CD1-CD1 3.98Å; L320-Y356 HydrophobicContact CD1-CE1 4.09Å; I327-Y356 HydrophobicContact CD1-CE1 4.35Å; L343-Y356 HydrophobicContact CD2-CD1 3.43Å; L343-Y356 VanDerWaalsContact CD2-CD1 3.43Å; L343-Y356 HydrophobicContact CD2-CE1 4.05Å; L343-Y356 HydrophobicContact CD2-CG 3.97Å; L345-Y356 HydrophobicContact CD2-CE1 4.17Å; D352-Y356 WeakPolarHBondContact O-CE2 3.25Å; D352-Y356 PolarHBondContact O-OH 2.8Å; D352-Y356 VanDerWaalsContact O-OH 3.04Å; Y356-S370 CarbonylContact O-C 3.57Å; Y356-S370 WeakPolarHBondContact O-CA 3.35Å; Y356-L371 HydrophobicContact CD2-CD1 4.21Å; Y356-L371 PolarHBondContact N-O 2.95Å; Y356-L371 PolarHBondContact O-N 2.77Å; Y356-L373 HydrophobicContact CD2-CB 4.14Å; Y356-L373 HydrophobicContact CE2-CB 4.02Å; Y356-L373 HydrophobicContact CE2-CD2 3.94Å
357T93.4Very high87.6Confident13 Ų1355.8 Ų55.88%0.0829%0.291CS..EExtended strand (participates in β ladder)trans-123.3122.8-177.3-57.60000111W313 L314 E368 V369 S370W313-T357 CarbonylContact C-O 3.48Å; W313-T357 WeakPolarHBondContact CA-O 3.33Å; L314-T357 HydrophobicContact CD1-CG2 4.31Å; L314-T357 PolarHBondContact N-O 3.05Å; L314-T357 PolarHBondContact O-N 2.75Å; T357-E368 HydrophobicContact CG2-CB 4.13Å; T357-E368 HydrophobicContact CG2-CG 4.47Å; T357-V369 CarbonylContact C-O 3.46Å; T357-V369 WeakPolarHBondContact CA-O 3.45Å; T357-S370 WeakPolarHBondContact CB-OG 3.46Å; T357-S370 VanDerWaalsContact CG2-OG 3.3Å; T357-S370 WeakPolarHBondContact CG2-OG 3.43Å; T357-S370 WeakPolarHBondContact OG1-CB 3.47Å; T357-S370 PolarHBondContact OG1-OG 2.76Å
358L93.9Very high88.2Confident0 Ų056.1 Ų56.10%030%0.297CS..EExtended strand (participates in β ladder)trans-88.9118.4169.117563000108.9I281 A301 I303 V311 W313 V360 E368 V369I281-L358 HydrophobicContact CG2-CD2 4.05Å; A301-L358 HydrophobicContact CB-CD2 3.26Å; I303-L358 HydrophobicContact CD1-CD2 4.44Å; V311-L358 HydrophobicContact CG1-CD1 3.48Å; V311-L358 VanDerWaalsContact CG1-CD1 3.48Å; W313-L358 HydrophobicContact CD2-CB 4.08Å; W313-L358 HydrophobicContact CD2-CD1 4.06Å; W313-L358 HydrophobicContact CE3-CB 3.96Å; W313-L358 HydrophobicContact CG-CD1 4.25Å; W313-L358 HydrophobicContact CH2-CB 3.88Å; W313-L358 HydrophobicContact CZ2-CB 3.96Å; W313-L358 HydrophobicContact CZ2-CD1 4.16Å; W313-L358 HydrophobicContact CZ2-CD2 4.17Å; W313-L358 HydrophobicContact CZ2-CG 4.33Å; W313-L358 HydrophobicContact CZ3-CB 3.87Å; L358-V360 HydrophobicContact CD1-CG2 4.41Å; L358-V360 HydrophobicContact CG-CG2 4.23Å; L358-E368 CarbonylContact O-C 3.41Å; L358-E368 VanDerWaalsContact O-CA 3.26Å; L358-E368 WeakPolarHBondContact O-CA 3.33Å; L358-V369 PolarHBondContact N-O 2.93Å; L358-V369 PolarHBondContact O-N 2.95Å
359R92.9Very high88.7Confident91 Ų9157.8 Ų57.834%0.34331%0.307SS..EExtended strand (participates in β ladder)trans-110.6127.1175.4171.2-176.5-86.9-160.52109.9T312 L314 E361 E368T312-R359 PolarHBondContact N-O 3.22Å; T312-R359 PolarHBondContact O-N 2.77Å; T312-R359 WeakPolarHBondContact OG1-CB 3.35Å; T312-R359 PolarHBondContact OG1-O 3.03Å; L314-R359 HydrophobicContact CD1-CB 3.96Å; R359-E361 WeakPolarHBondContact CD-OE1 3.38Å; R359-E361 HydrophobicContact CG-CG 4.13Å; R359-E361 IonicContact NH1-OE1 3.61Å; R359-E368 HydrophobicContact CB-CG 3.96Å; R359-E368 HydrophobicContact CG-CG 4.06Å; R359-E368 IonicContact CZ-OE1 3.79Å; R359-E368 IonicContact NE-OE1 3.57Å; R359-E368 PolarHBondContact NE-OE1 2.84Å; R359-E368 IonicContact NH2-OE1 2.58Å; R359-E368 PolarHBondContact NH2-OE1 2.71Å
360V93.7Very high89.1Confident0 Ų055.1 Ų55.10%030%0.303CS..EExtended strand (participates in β ladder)trans-122.3127.1176.4-1730000110L279 I281 I303 A309 H310 V311 L358 S366 H367L279-V360 HydrophobicContact CD1-CB 4.15Å; L279-V360 HydrophobicContact CD1-CG1 3.45Å; L279-V360 VanDerWaalsContact CD1-CG1 3.45Å; L279-V360 HydrophobicContact CD2-CG1 4.38Å; I281-V360 HydrophobicContact CD1-CB 3.82Å; I281-V360 HydrophobicContact CD1-CG2 3.5Å; I281-V360 HydrophobicContact CG1-CB 4.26Å; I281-V360 HydrophobicContact CG1-CG2 3.9Å; I303-V360 HydrophobicContact CD1-CG2 3.64Å; I303-V360 HydrophobicContact CG1-CG2 4.06Å; I303-V360 HydrophobicContact CG2-CG1 3.92Å; I303-V360 HydrophobicContact CG2-CG2 4.38Å; A309-V360 HydrophobicContact CB-CG1 3.69Å; H310-V360 CarbonylContact O-C 3.51Å; H310-V360 WeakPolarHBondContact O-CA 3.34Å; V311-V360 HydrophobicContact CG1-CG2 4.2Å; V311-V360 HydrophobicContact CG2-CG1 4.04Å; V311-V360 HydrophobicContact CG2-CG2 4.22Å; L358-V360 HydrophobicContact CD1-CG2 4.41Å; L358-V360 HydrophobicContact CG-CG2 4.23Å; V360-S366 WeakPolarHBondContact O-CA 3.41Å; V360-H367 PolarHBondContact N-O 3.36Å; V360-H367 PolarHBondContact O-N 3.27Å
361E90.4Very high89.7Confident69 Ų6951.2 Ų51.232%0.32229%0.285SS..EExtended strand (participates in β ladder)trans-120.9126.4-177-63.1177.1162.700110.1A309 H310 R359 Q365A309-E361 CarbonylContact C-O 3.55Å; A309-E361 VanDerWaalsContact CA-O 3.28Å; A309-E361 WeakPolarHBondContact CA-O 3.24Å; H310-E361 HydrophobicContact CB-CB 4.42Å; H310-E361 PolarHBondContact N-O 3.46Å; H310-E361 PolarHBondContact O-N 2.73Å; R359-E361 WeakPolarHBondContact CD-OE1 3.38Å; R359-E361 HydrophobicContact CG-CG 4.13Å; R359-E361 IonicContact NH1-OE1 3.61Å; E361-Q365 CarbonylContact C-O 3.56Å; E361-Q365 WeakPolarHBondContact CA-O 3.24Å
362N88Confident90.2Very high6 Ų648.5 Ų48.53%0.03227%0.274CS..EExtended strand (participates in β ladder)trans-128.599.3173.4177.74.3000108.3F278 L279 S305 F306 P307 A309 N364 Q365F278-N362 PolarHBondContact O-ND2 2.79Å; L279-N362 HydrophobicContact CB-CB 4.42Å; L279-N362 HydrophobicContact CD2-CB 4.2Å; S305-N362 WeakPolarHBondContact OG-CB 3.46Å; S305-N362 PolarHBondContact OG-ND2 3.09Å; F306-N362 VanDerWaalsContact C-ND2 3.28Å; F306-N362 PolarHBondContact O-ND2 2.99Å; F306-N362 VanDerWaalsContact O-ND2 3.16Å; P307-N362 PolarHBondContact O-ND2 3.12Å; P307-N362 PolarHBondContact O-OD1 3.22Å; A309-N362 HydrophobicContact CB-CB 4.29Å; N362-N364 PolarHBondContact O-N 3.26Å; N362-Q365 PolarHBondContact N-O 3.2Å; N362-Q365 PolarHBondContact O-N 2.95Å
363G80.6Confident90.5Very high71 Ų7148 Ų4873%0.73227%0.272SS*.THydrogen-bonded Turntrans59.1-107.5-175.800000112.3
364N77.3Confident90.6Very high175 Ų17548.6 Ų48.694%0.93627%0.273SS*.THydrogen-bonded Turntrans-96.7-3.4178.7-70.1-17.8000113.9N362N362-N364 PolarHBondContact O-N 3.26Å
365Q82.9Confident90.7Very high75 Ų7548 Ų4835%0.3527%0.267SS..EExtended strand (participates in β ladder)trans-97132.9178.2-61.3-176.56.600109.6L279 E361 N362L279-Q365 HydrophobicContact CD2-CB 4.16Å; E361-Q365 CarbonylContact C-O 3.56Å; E361-Q365 WeakPolarHBondContact CA-O 3.24Å; N362-Q365 PolarHBondContact N-O 3.2Å; N362-Q365 PolarHBondContact O-N 2.95Å
366S88.8Confident90.4Very high61 Ų6148 Ų4843%0.42727%0.265SS..EExtended strand (participates in β ladder)trans-134128.8174.1-177.80000109.1V360V360-S366 WeakPolarHBondContact O-CA 3.41Å
367H92.7Very high90.2Very high92 Ų9248.6 Ų48.643%0.42627%0.268SS..EExtended strand (participates in β ladder)trans-126.3140.3177.3-79.3-114.9000109.4L279 I281 V360L279-H367 HydrophobicContact CD2-CB 4.16Å; L279-H367 HydrophobicContact CG-CB 4.49Å; I281-H367 HydrophobicContact CD1-CB 3.6Å; I281-H367 WeakPolarHBondContact CD1-O 3.4Å; I281-H367 HydrophobicContact CG1-CB 4.22Å; V360-H367 PolarHBondContact N-O 3.36Å; V360-H367 PolarHBondContact O-N 3.27Å
368E93.3Very high90Very high97 Ų9750.2 Ų50.245%0.45328%0.279SS..EExtended strand (participates in β ladder)trans-129.4144.8-178.2-64.8179.5-173.600111.2T357 L358 R359T357-E368 HydrophobicContact CG2-CB 4.13Å; T357-E368 HydrophobicContact CG2-CG 4.47Å; L358-E368 CarbonylContact O-C 3.41Å; L358-E368 VanDerWaalsContact O-CA 3.26Å; L358-E368 WeakPolarHBondContact O-CA 3.33Å; R359-E368 HydrophobicContact CB-CG 3.96Å; R359-E368 HydrophobicContact CG-CG 4.06Å; R359-E368 IonicContact CZ-OE1 3.79Å; R359-E368 IonicContact NE-OE1 3.57Å; R359-E368 PolarHBondContact NE-OE1 2.84Å; R359-E368 IonicContact NH2-OE1 2.58Å; R359-E368 PolarHBondContact NH2-OE1 2.71Å
369V94.2Very high89.7Confident34 Ų3450.6 Ų50.621%0.20628%0.282CS..EExtended strand (participates in β ladder)trans-137.5135.6172.2-1760000108.5I281 P283 F285 T357 L358I281-V369 HydrophobicContact CB-CG2 4.16Å; I281-V369 HydrophobicContact CD1-CG2 4.27Å; I281-V369 HydrophobicContact CG2-CG2 3.86Å; P283-V369 HydrophobicContact CB-CG1 3.93Å; P283-V369 HydrophobicContact CG-CG1 3.85Å; F285-V369 HydrophobicContact CE2-CG1 3.8Å; F285-V369 HydrophobicContact CZ-CG1 3.93Å; T357-V369 CarbonylContact C-O 3.46Å; T357-V369 WeakPolarHBondContact CA-O 3.45Å; L358-V369 PolarHBondContact N-O 2.93Å; L358-V369 PolarHBondContact O-N 2.95Å
370S94Very high89.6Confident43 Ų4349.6 Ų49.630%0.30129%0.286SS..EExtended strand (participates in β ladder)trans-125.4153.1-175.1-50.30000113N355 Y356 T357N355-S370 WeakPolarHBondContact OD1-CB 3.46Å; Y356-S370 CarbonylContact O-C 3.57Å; Y356-S370 WeakPolarHBondContact O-CA 3.35Å; T357-S370 WeakPolarHBondContact CB-OG 3.46Å; T357-S370 VanDerWaalsContact CG2-OG 3.3Å; T357-S370 WeakPolarHBondContact CG2-OG 3.43Å; T357-S370 WeakPolarHBondContact OG1-CB 3.47Å; T357-S370 PolarHBondContact OG1-OG 2.76Å
371L94.3Very high89.3Confident1 Ų149.7 Ų49.71%0.00529%0.286CS..EExtended strand (participates in β ladder)trans-134141.5170.470.592.8000110.3F285 R286 F299 N355 Y356 L373F285-L371 HydrophobicContact CB-CD2 4.28Å; F285-L371 HydrophobicContact CD1-CD2 4.17Å; F285-L371 HydrophobicContact CD2-CB 3.74Å; F285-L371 HydrophobicContact CD2-CD2 3.52Å; F285-L371 HydrophobicContact CD2-CG 4.25Å; F285-L371 HydrophobicContact CE1-CD2 4.36Å; F285-L371 HydrophobicContact CE2-CB 3.95Å; F285-L371 HydrophobicContact CE2-CD2 3.74Å; F285-L371 HydrophobicContact CE2-CG 4.37Å; F285-L371 HydrophobicContact CG-CD2 3.74Å; F285-L371 HydrophobicContact CZ-CD2 4.16Å; R286-L371 WeakPolarHBondContact O-CB 3.4Å; F299-L371 HydrophobicContact CB-CD2 3.95Å; F299-L371 HydrophobicContact CD1-CD2 3.62Å; F299-L371 HydrophobicContact CD2-CD2 4.12Å; F299-L371 HydrophobicContact CE1-CD1 4.24Å; F299-L371 HydrophobicContact CE1-CD2 4.13Å; F299-L371 HydrophobicContact CE2-CD1 4.36Å; F299-L371 HydrophobicContact CG-CD2 3.61Å; F299-L371 HydrophobicContact CZ-CD1 4.14Å; N355-L371 CarbonylContact C-O 3.57Å; N355-L371 WeakPolarHBondContact CA-O 3.43Å; N355-L371 PolarHBondContact OD1-O 3.2Å; N355-L371 VanDerWaalsContact OD1-O 3.09Å; Y356-L371 HydrophobicContact CD2-CD1 4.21Å; Y356-L371 PolarHBondContact N-O 2.95Å; Y356-L371 PolarHBondContact O-N 2.77Å; L371-L373 HydrophobicContact CD1-CB 4.13Å
372N93.9Very high89.2Confident63 Ų6349.9 Ų49.934%0.33729%0.292SS..EExtended strand (participates in β ladder)trans-97.7117.7172-171.5-48.3000109.8D287 H288 E289D287-N372 PolarHBondContact O-N 3Å; H288-N372 WeakPolarHBondContact CA-O 3.35Å; E289-N372 PolarHBondContact N-O 3.25Å
373L91.9Very high89.1Confident1 Ų152.7 Ų52.71%0.00531%0.307CS..EExtended strand (participates in β ladder)trans-98.4126177.5-179.163.7000110.7E289 A291 F299 L345 S353 G354 Y356 L371 V375E289-L373 HydrophobicContact CB-CD1 4.3Å; E289-L373 WeakPolarHBondContact O-CA 3.4Å; A291-L373 HydrophobicContact CB-CD1 3.98Å; F299-L373 HydrophobicContact CZ-CD1 4.14Å; L345-L373 HydrophobicContact CD1-CD2 3.24Å; S353-L373 CarbonylContact C-O 3.53Å; S353-L373 VanDerWaalsContact CA-O 3.25Å; S353-L373 WeakPolarHBondContact CA-O 3.43Å; G354-L373 PolarHBondContact N-O 3.05Å; G354-L373 PolarHBondContact O-N 3.04Å; Y356-L373 HydrophobicContact CD2-CB 4.14Å; Y356-L373 HydrophobicContact CE2-CB 4.02Å; Y356-L373 HydrophobicContact CE2-CD2 3.94Å; L371-L373 HydrophobicContact CD1-CB 4.13Å; L373-V375 HydrophobicContact CD2-CG2 4.48Å; L373-V375 HydrophobicContact CG-CG2 4.39Å
374V91Very high89.4Confident56 Ų5650.4 Ų50.434%0.33928%0.278SS..EExtended strand (participates in β ladder)trans-115.5120.1171.5-1790000110.1E289 S290 A291 Q404E289-V374 PolarHBondContact O-N 3.35Å; S290-V374 VanDerWaalsContact CA-O 3.24Å; S290-V374 WeakPolarHBondContact CA-O 3.4Å; A291-V374 PolarHBondContact N-O 3.27Å; V374-Q404 HydrophobicContact CG1-CG 4.28Å
375V90.3Very high89.7Confident0 Ų045.5 Ų45.50%025%0.25CS..EExtended strand (participates in β ladder)trans-87.9128.6179.2-177.60000110.6A291 L293 V348 R349 D352 S353 L373 Q404A291-V375 CarbonylContact O-C 3.59Å; A291-V375 WeakPolarHBondContact O-CA 3.35Å; L293-V375 HydrophobicContact CD2-CG1 3.95Å; L293-V375 HydrophobicContact CG-CG1 4.47Å; V348-V375 HydrophobicContact CG1-CB 4.13Å; V348-V375 HydrophobicContact CG1-CG1 3.69Å; V348-V375 HydrophobicContact CG1-CG2 3.31Å; R349-V375 WeakPolarHBondContact O-CG2 3.44Å; D352-V375 HydrophobicContact CB-CG2 4.47Å; S353-V375 WeakPolarHBondContact OG-CB 3.37Å; S353-V375 WeakPolarHBondContact OG-CG2 3.49Å; S353-V375 PolarHBondContact OG-N 2.79Å; S353-V375 VanDerWaalsContact OG-N 3.12Å; L373-V375 HydrophobicContact CD2-CG2 4.48Å; L373-V375 HydrophobicContact CG-CG2 4.39Å; V375-Q404 WeakPolarHBondContact O-CG 3.43Å
376K88.8Confident89.7Confident61 Ų6145.2 Ų45.227%0.26525%0.251SS..EExtended strand (participates in β ladder)trans-88.5125.4-179.6-56.2-171-170.2173.20110.1S290 A291 Q404 I472S290-K376 VanDerWaalsContact OG-CE 3.24Å; S290-K376 WeakPolarHBondContact OG-CE 3.34Å; A291-K376 PolarHBondContact O-N 3.07Å; K376-Q404 CarbonylContact C-O 3.6Å; K376-Q404 VanDerWaalsContact CA-O 3.27Å; K376-Q404 WeakPolarHBondContact CA-O 3.43Å; K376-I472 HydrophobicContact CB-CD1 4.17Å; K376-I472 HydrophobicContact CB-CG1 4.01Å; K376-I472 HydrophobicContact CD-CD1 3.8Å; K376-I472 HydrophobicContact CD-CG1 4.41Å
377V87.9Confident89.2Confident11 Ų1145.3 Ų45.37%0.06725%0.246CC..EExtended strand (participates in β ladder)trans-119.3127.8-177179.40000108.9L293 E350 Q404 N470L293-V377 HydrophobicContact CD1-CB 4.42Å; L293-V377 HydrophobicContact CD1-CG1 4.16Å; L293-V377 HydrophobicContact CD1-CG2 4.24Å; L293-V377 HydrophobicContact CD2-CG2 4.31Å; L293-V377 HydrophobicContact CG-CG2 4.32Å; E350-V377 HydrophobicContact CB-CG2 4.21Å; E350-V377 HydrophobicContact CG-CG2 4.01Å; V377-Q404 HydrophobicContact CB-CB 4.12Å; V377-Q404 HydrophobicContact CG2-CB 4.3Å; V377-Q404 PolarHBondContact N-O 3.34Å; V377-Q404 CarbonylContact O-C 3.55Å; V377-Q404 PolarHBondContact O-N 2.81Å; V377-N470 PolarHBondContact O-ND2 2.95Å
378P88.7Confident88Confident48 Ų4845.6 Ų45.631%0.31225%0.247SC..EExtended strand (participates in β ladder)trans-61.5155.2177.525.7-33.2000112.2V380 I472P378-V380 PolarHBondContact O-N 3.16Å; P378-I472 HydrophobicContact CB-CB 4.44Å; P378-I472 HydrophobicContact CB-CG2 3.92Å
379A89.1Confident86.3Confident7 Ų744.5 Ų44.56%0.05824%0.242CC..EExtended strand (participates in β ladder)trans-63124.1174.400000110.9P407 A468 N470 V475A379-P407 HydrophobicContact CB-CB 3.72Å; A379-A468 HydrophobicContact CB-CB 4.33Å; A379-N470 HydrophobicContact CB-CB 4.25Å; A379-N470 PolarHBondContact N-ND2 2.79Å; A379-N470 PolarHBondContact N-OD1 2.78Å; A379-N470 VanDerWaalsContact N-OD1 3.12Å; A379-V475 WeakPolarHBondContact O-CG1 3.42Å
380V89Confident84.5Confident71 Ų7145.7 Ų45.743%0.4326%0.261SS..EExtended strand (participates in β ladder)trans-124.1135.3176.7-179.60000109.2P378 T401 R402P378-V380 PolarHBondContact O-N 3.16Å; V380-T401 CarbonylContact O-C 3.55Å; V380-T401 VanDerWaalsContact O-CA 3.28Å; V380-T401 WeakPolarHBondContact O-CA 3.43Å; V380-R402 PolarHBondContact N-O 2.72Å; V380-R402 PolarHBondContact O-N 3.39Å
381I89Confident82.5Confident2 Ų250 Ų501%0.0129%0.292CS..EExtended strand (participates in β ladder)trans-88.4108.7168-64.6161.4000107D383 L384 I400 T401 C466 A468 V475 R477I381-D383 WeakPolarHBondContact CG2-O 3.27Å; I381-L384 HydrophobicContact CG2-CB 4.44Å; I381-I400 CarbonylContact C-O 3.58Å; I381-T401 HydrophobicContact CG1-CG2 4.02Å; I381-C466 HydrophobicContact CD1-CB 4.44Å; I381-A468 HydrophobicContact CD1-CB 4.27Å; I381-A468 HydrophobicContact CG1-CB 3.77Å; I381-V475 HydrophobicContact CB-CG1 4.48Å; I381-V475 HydrophobicContact CD1-CG1 3.95Å; I381-V475 HydrophobicContact CG1-CG1 3.82Å; I381-R477 HydrophobicContact CD1-CB 4.06Å; I381-R477 HydrophobicContact CD1-CG 4.19Å; I381-R477 HydrophobicContact CG2-CG 4.49Å; I381-R477 PolarHBondContact O-NH1 3.31Å; I381-R477 VanDerWaalsContact O-NH1 3.16Å
382V86.9Confident80.6Confident73 Ų7354.7 Ų54.744%0.44233%0.33SS..EExtended strand (participates in β ladder)trans-66.8-54.1177.7179.80000108.4I400 R402 R477V382-I400 HydrophobicContact CB-CB 4.41Å; V382-I400 HydrophobicContact CB-CG2 4.13Å; V382-I400 PolarHBondContact N-O 2.99Å; V382-R402 HydrophobicContact CG2-CB 3.82Å; V382-R477 PolarHBondContact O-NH1 3.1Å
383D85.9Confident78.8Confident65 Ų6556.6 Ų56.635%0.34834%0.344SS..EExtended strand (participates in β ladder)trans-144.3151.5-178.2-153.9-2.5000112.7I381 M385 C399 I400I381-D383 WeakPolarHBondContact CG2-O 3.27Å; D383-M385 HydrophobicContact CB-CE 4.44Å; D383-M385 WeakPolarHBondContact OD2-CE 3.13Å; D383-M385 WeakPolarHBondContact OD2-CG 3.23Å; D383-M385 VanDerWaalsContact OD2-SD 3.33Å; D383-C399 WeakPolarHBondContact O-CA 3.42Å; D383-I400 HydrophobicContact CB-CB 4.47Å; D383-I400 HydrophobicContact CB-CD1 4.42Å; D383-I400 PolarHBondContact N-O 2.66Å; D383-I400 PolarHBondContact O-N 2.86Å
384L87.3Confident77.6Confident22 Ų2257.3 Ų57.312%0.11535%0.352CS..EExtended strand (participates in β ladder)trans-138.4104.3172.7-178.667.8000108.6I381 V398 C399 W411 C466 R477 I479I381-L384 HydrophobicContact CG2-CB 4.44Å; L384-V398 CarbonylContact C-O 3.55Å; L384-V398 VanDerWaalsContact CA-O 3.31Å; L384-V398 WeakPolarHBondContact CA-O 3.42Å; L384-C399 HydrophobicContact CD1-CB 3.82Å; L384-W411 HydrophobicContact CD1-CH2 3.81Å; L384-W411 HydrophobicContact CD1-CZ3 3.99Å; L384-C466 HydrophobicContact CD1-CB 3.97Å; L384-R477 HydrophobicContact CD2-CB 3.81Å; L384-I479 HydrophobicContact CD1-CG2 4.47Å; L384-I479 HydrophobicContact CD2-CB 3.91Å; L384-I479 HydrophobicContact CD2-CG2 4.02Å; L384-I479 HydrophobicContact CG-CB 4.19Å; L384-I479 HydrophobicContact CG-CG2 4.13Å
385M84.4Confident77Confident73 Ų7355.9 Ų55.936%0.3634%0.342SS..EExtended strand (participates in β ladder)trans-116149.3-172.9-64.9-179.1-83.600112.1D383 A397 V398 I400D383-M385 HydrophobicContact CB-CE 4.44Å; D383-M385 WeakPolarHBondContact OD2-CE 3.13Å; D383-M385 WeakPolarHBondContact OD2-CG 3.23Å; D383-M385 VanDerWaalsContact OD2-SD 3.33Å; M385-A397 CarbonylContact O-C 3.37Å; M385-A397 WeakPolarHBondContact O-CA 3.49Å; M385-V398 PolarHBondContact N-O 3.49Å; M385-V398 PolarHBondContact O-N 2.85Å; M385-I400 HydrophobicContact CE-CD1 3.97Å
386D83.4Confident76.6Confident69 Ų6955.9 Ų55.937%0.36934%0.342SS..EExtended strand (participates in β ladder)trans-101.1120.1166.466-53.3000111H388 S396 I479 L481D386-H388 IonicContact OD2-CE1 3.55Å; D386-H388 PolarHBondContact OD2-CE1 3.18Å; D386-H388 IonicContact OD2-ND1 2.99Å; D386-H388 PolarHBondContact OD2-ND1 3.1Å; D386-H388 VanDerWaalsContact OD2-ND1 3.14Å; D386-S396 CarbonylContact C-O 3.48Å; D386-S396 VanDerWaalsContact CA-O 3.31Å; D386-S396 WeakPolarHBondContact CA-O 3.02Å; D386-I479 HydrophobicContact CB-CD1 3.7Å; D386-I479 HydrophobicContact CB-CG1 4.46Å; D386-L481 HydrophobicContact CB-CD2 3.78Å
387I77.3Confident76.5Confident63 Ų6353 Ų5332%0.32333%0.329SS..EExtended strand (participates in β ladder)trans-101.6115.6176.7-49.4177.4000109H389 S396 V398I387-H389 WeakPolarHBondContact CG2-NE2 3.35Å; I387-H389 PolarHBondContact O-N 2.84Å; I387-S396 WeakPolarHBondContact CB-OG 3.41Å; I387-S396 PolarHBondContact N-O 3.31Å; I387-S396 PolarHBondContact O-N 2.89Å; I387-V398 HydrophobicContact CD1-CG2 3.55Å; I387-V398 HydrophobicContact CG1-CG2 4.18Å
388H67.3Low76.6Confident97 Ų9752.6 Ų52.645%0.44933%0.327SS..EExtended strand (participates in β ladder)trans-89.492.8176.1-82.479.1000110.5D386 G390 Q395D386-H388 IonicContact OD2-CE1 3.55Å; D386-H388 PolarHBondContact OD2-CE1 3.18Å; D386-H388 IonicContact OD2-ND1 2.99Å; D386-H388 PolarHBondContact OD2-ND1 3.1Å; D386-H388 VanDerWaalsContact OD2-ND1 3.14Å; H388-G390 PolarHBondContact O-N 3.1Å; H388-Q395 PolarHBondContact CD2-NE2 2.89Å; H388-Q395 PolarHBondContact NE2-NE2 2.97Å
389H58.3Low76.6Confident75 Ų7550.3 Ų50.335%0.34731%0.312SS..  trans-79.658.9176.2-64.1-84.1000111.8I387 T393 G394 S396I387-H389 WeakPolarHBondContact CG2-NE2 3.35Å; I387-H389 PolarHBondContact O-N 2.84Å; H389-T393 WeakPolarHBondContact CB-OG1 3.38Å; H389-T393 PolarHBondContact O-OG1 3.4Å; H389-G394 PolarHBondContact N-O 2.78Å; H389-S396 PolarHBondContact NE2-OG 2.87Å
390G55.2Low76.7Confident58 Ų5851 Ų5160%0.59831%0.314SS*.Hα-helixtrans55.1176.8174.800000115.7H388 A392H388-G390 PolarHBondContact O-N 3.1Å; G390-A392 PolarHBondContact O-N 2.89Å
391S53Low76.7Confident135 Ų13547.6 Ų47.694%0.94429%0.293SS*.Hα-helixtrans-72.51.2-167-149.50000115.6
392A53.1Low76.7Confident98 Ų9852.9 Ų52.981%0.8131%0.313SS*.Hα-helixtrans-127.6-15.2-170.800000116.1G390G390-A392 PolarHBondContact O-N 2.89Å
393T56.6Low76.6Confident104 Ų10450 Ų5064%0.63830%0.298SS*.Hα-helixtrans-114.47.6-172.934.30000115.8H389H389-T393 WeakPolarHBondContact CB-OG1 3.38Å; H389-T393 PolarHBondContact O-OG1 3.4Å
394G67Low76.6Confident16 Ų1650.9 Ų50.917%0.16530%0.3CS..  trans93.3169.9174.900000114.1H389 F455H389-G394 PolarHBondContact N-O 2.78Å; G394-F455 CarbonylContact C-O 3.54Å; G394-F455 WeakPolarHBondContact CA-O 3.39Å
395Q77.9Confident76.6Confident26 Ų2652 Ų5212%0.12131%0.309CS..EExtended strand (participates in β ladder)trans-106.2140173.3-73.4176.8-1.500108.7H388 F455 L458 V482H388-Q395 PolarHBondContact CD2-NE2 2.89Å; H388-Q395 PolarHBondContact NE2-NE2 2.97Å; Q395-F455 PolarHBondContact N-O 3.46Å; Q395-F455 WeakPolarHBondContact O-CA 3.42Å; Q395-F455 WeakPolarHBondContact O-CB 3.19Å; Q395-F455 PolarHBondContact O-N 2.88Å; Q395-F455 VanDerWaalsContact O-O 3.12Å; Q395-L458 HydrophobicContact CB-CD1 3.81Å; Q395-L458 HydrophobicContact CG-CD1 4.14Å; Q395-V482 PolarHBondContact NE2-O 2.81Å
396S81.8Confident76.6Confident0 Ų052 Ų520%031%0.313CS..EExtended strand (participates in β ladder)trans-125.4152.2178.770.10000112.6D386 I387 H389 Q452 V453 M454D386-S396 CarbonylContact C-O 3.48Å; D386-S396 VanDerWaalsContact CA-O 3.31Å; D386-S396 WeakPolarHBondContact CA-O 3.02Å; I387-S396 WeakPolarHBondContact CB-OG 3.41Å; I387-S396 PolarHBondContact N-O 3.31Å; I387-S396 PolarHBondContact O-N 2.89Å; H389-S396 PolarHBondContact NE2-OG 2.87Å; S396-Q452 PolarHBondContact OG-NE2 2.68Å; S396-V453 CarbonylContact C-O 3.59Å; S396-V453 VanDerWaalsContact CA-O 3.26Å; S396-V453 WeakPolarHBondContact CA-O 3.46Å; S396-V453 WeakPolarHBondContact CB-O 3.38Å; S396-M454 WeakPolarHBondContact CB-SD 3.4Å
397A87.1Confident76.9Confident0 Ų048.9 Ų48.90%030%0.297CS..EExtended strand (participates in β ladder)trans-115.8128.8172.100000108.8M385 W411 Q452 V453 F455 V464 I479M385-A397 CarbonylContact O-C 3.37Å; M385-A397 WeakPolarHBondContact O-CA 3.49Å; A397-W411 HydrophobicContact CB-CH2 4.02Å; A397-W411 HydrophobicContact CB-CZ3 4.05Å; A397-Q452 WeakPolarHBondContact O-CA 3.42Å; A397-V453 HydrophobicContact CB-CG1 3.87Å; A397-V453 PolarHBondContact N-O 3.15Å; A397-V453 PolarHBondContact O-N 3Å; A397-F455 HydrophobicContact CB-CE2 4.48Å; A397-V464 HydrophobicContact CB-CG1 4.43Å; A397-I479 HydrophobicContact CB-CG2 4.3Å
398V89.4Confident77.5Confident3 Ų349.9 Ų49.92%0.01831%0.306CS..EExtended strand (participates in β ladder)trans-115126.4179.6179.80000108.5L384 M385 I387 I400 E450 Q452L384-V398 CarbonylContact C-O 3.55Å; L384-V398 VanDerWaalsContact CA-O 3.31Å; L384-V398 WeakPolarHBondContact CA-O 3.42Å; M385-V398 PolarHBondContact N-O 3.49Å; M385-V398 PolarHBondContact O-N 2.85Å; I387-V398 HydrophobicContact CD1-CG2 3.55Å; I387-V398 HydrophobicContact CG1-CG2 4.18Å; V398-I400 HydrophobicContact CG1-CG1 4.23Å; V398-E450 HydrophobicContact CG1-CG 3.56Å; V398-E450 VanDerWaalsContact CG1-OE1 3.25Å; V398-E450 WeakPolarHBondContact CG1-OE1 3.25Å; V398-Q452 HydrophobicContact CG2-CB 4.11Å; V398-Q452 HydrophobicContact CG2-CG 3.79Å
399C90Very high78.5Confident0 Ų046.6 Ų46.60%029%0.292CS..EExtended strand (participates in β ladder)trans-117.2115.2177.6-170.90000109.7D383 L384 W411 S451 C466D383-C399 WeakPolarHBondContact O-CA 3.42Å; L384-C399 HydrophobicContact CD1-CB 3.82Å; C399-W411 HydrophobicContact CB-CH2 3.46Å; C399-W411 VanDerWaalsContact CB-CH2 3.46Å; C399-W411 HydrophobicContact CB-CZ2 3.46Å; C399-W411 VanDerWaalsContact CB-CZ2 3.46Å; C399-W411 HydrophobicContact CB-CZ3 4.44Å; C399-S451 PolarHBondContact N-O 2.78Å; C399-S451 PolarHBondContact O-N 3.32Å; C399-C466 HydrophobicContact CB-CB 3.7Å; C399-C466 WeakPolarHBondContact CB-SG 3.49Å; C399-C466 WeakPolarHBondContact SG-CB 3.34Å; C399-C466 CovalentContact SG-SG 2.04Å; C399-C466 PolarHBondContact SG-SG 2.77Å
400I90.1Very high80Confident20 Ų2046.4 Ų46.410%0.10329%0.292CS..EExtended strand (participates in β ladder)trans-100.7126178.3-57.7174.8000108.1I381 V382 D383 M385 V398 N448 E450I381-I400 CarbonylContact C-O 3.58Å; V382-I400 HydrophobicContact CB-CB 4.41Å; V382-I400 HydrophobicContact CB-CG2 4.13Å; V382-I400 PolarHBondContact N-O 2.99Å; D383-I400 HydrophobicContact CB-CB 4.47Å; D383-I400 HydrophobicContact CB-CD1 4.42Å; D383-I400 PolarHBondContact N-O 2.66Å; D383-I400 PolarHBondContact O-N 2.86Å; M385-I400 HydrophobicContact CE-CD1 3.97Å; V398-I400 HydrophobicContact CG1-CG1 4.23Å; I400-N448 HydrophobicContact CG2-CB 3.86Å; I400-E450 HydrophobicContact CG1-CB 4.41Å; I400-E450 HydrophobicContact CG1-CG 4.08Å
401T89.9Confident81.6Confident0 Ų044.3 Ų44.30%027%0.266CS..EExtended strand (participates in β ladder)trans-129.8145.2-172.764.90000112.4V380 I381 V409 L449 A468V380-T401 CarbonylContact O-C 3.55Å; V380-T401 VanDerWaalsContact O-CA 3.28Å; V380-T401 WeakPolarHBondContact O-CA 3.43Å; I381-T401 HydrophobicContact CG1-CG2 4.02Å; T401-V409 HydrophobicContact CG2-CG2 3.7Å; T401-L449 PolarHBondContact N-O 3.49Å; T401-L449 PolarHBondContact O-N 2.96Å; T401-L449 PolarHBondContact OG1-O 3.23Å; T401-A468 HydrophobicContact CG2-CB 3.67Å
402R88Confident83.2Confident113 Ų11339.8 Ų39.843%0.42623%0.229SC..EExtended strand (participates in β ladder)trans-130.1146.5179.3-173.8174.9175.51752.4109.7E350 V380 V382E350-R402 IonicContact OE1-CZ 3.93Å; E350-R402 IonicContact OE1-NE 3.15Å; E350-R402 PolarHBondContact OE1-NE 3.29Å; E350-R402 IonicContact OE1-NH2 3.78Å; E350-R402 PolarHBondContact OE1-NH2 3.31Å; E350-R402 IonicContact OE2-CZ 2.9Å; E350-R402 IonicContact OE2-NE 2.75Å; E350-R402 IonicContact OE2-NH2 3.64Å; E350-R402 PolarHBondContact OE2-NH2 2.9Å; V380-R402 PolarHBondContact N-O 2.72Å; V380-R402 PolarHBondContact O-N 3.39Å; V382-R402 HydrophobicContact CG2-CB 3.82Å
403G86.2Confident84.7Confident13 Ų1336.4 Ų36.413%0.13420%0.197CC..EExtended strand (participates in β ladder)trans160.8157.8176.500000112.3P405 T406G403-P405 CarbonylContact C-O 3.48Å; G403-P405 CarbonylContact O-C 3.59Å; G403-T406 WeakPolarHBondContact O-CA 3.36Å
404Q85.6Confident86Confident83 Ų8331.6 Ų31.639%0.38817%0.168SC..EExtended strand (participates in β ladder)trans-136.8114.5-178.2-174.863.912.100109.4V374 V375 K376 V377V374-Q404 HydrophobicContact CG1-CG 4.28Å; V375-Q404 WeakPolarHBondContact O-CG 3.43Å; K376-Q404 CarbonylContact C-O 3.6Å; K376-Q404 VanDerWaalsContact CA-O 3.27Å; K376-Q404 WeakPolarHBondContact CA-O 3.43Å; V377-Q404 HydrophobicContact CB-CB 4.12Å; V377-Q404 HydrophobicContact CG2-CB 4.3Å; V377-Q404 PolarHBondContact N-O 3.34Å; V377-Q404 CarbonylContact O-C 3.55Å; V377-Q404 PolarHBondContact O-N 2.81Å
405P85.9Confident86.3Confident46 Ų4638.9 Ų38.930%0.29920%0.195SC..SBendcis-60.9154.70.3-20.733000113G403 N470G403-P405 CarbonylContact C-O 3.48Å; G403-P405 CarbonylContact O-C 3.59Å; P405-N470 WeakPolarHBondContact O-CB 3.41Å; P405-N470 PolarHBondContact O-ND2 2.97Å
406T85.8Confident86Confident72 Ų7241.2 Ų41.244%0.44221%0.208SC..PPolyproline II helixtrans-50.7127-176.3-48.80000111.5G403 F443 L449G403-T406 WeakPolarHBondContact O-CA 3.36Å; T406-F443 HydrophobicContact CG2-CE1 3.84Å; T406-F443 HydrophobicContact CG2-CZ 4.11Å; T406-L449 HydrophobicContact CG2-CB 4.48Å
407P88.6Confident85.4Confident5 Ų543.8 Ų43.83%0.03222%0.222CC..PPolyproline II helixtrans-69.7148.9-176.628.6-35000112.3A379 L449 A468 K469 N470A379-P407 HydrophobicContact CB-CB 3.72Å; P407-L449 WeakPolarHBondContact O-CD2 3.39Å; P407-A468 HydrophobicContact CB-CB 4.47Å; P407-K469 CarbonylContact C-O 3.58Å; P407-K469 WeakPolarHBondContact CA-O 3.37Å; P407-N470 HydrophobicContact CB-CB 4.44Å
408V89.9Confident84.2Confident84 Ų8452.7 Ų52.751%0.50926%0.26SS..EExtended strand (participates in β ladder)trans-96129.3170.2-179.60000108.5A468 K469V408-A468 WeakPolarHBondContact O-CA 3.34Å; V408-K469 HydrophobicContact CB-CG 4.34Å; V408-K469 PolarHBondContact N-O 3.34Å; V408-K469 PolarHBondContact O-N 2.91Å
409V89.5Confident83Confident27 Ų2756.9 Ų56.916%0.16428%0.28CS..EExtended strand (participates in β ladder)trans-99.6126.9179.3179.90000111.1T401 L449 C466 L467T401-V409 HydrophobicContact CG2-CG2 3.7Å; V409-L449 HydrophobicContact CG2-CD2 3.98Å; V409-C466 VanDerWaalsContact CG1-SG 3.54Å; V409-L467 CarbonylContact C-O 3.57Å; V409-L467 WeakPolarHBondContact CA-O 3.16Å
410E89.5Confident81.8Confident71 Ų7157.2 Ų57.233%0.33228%0.282SS..EExtended strand (participates in β ladder)trans-120.9133.4174.4-68.3179.1161.100110.4F412 L467 K469E410-F412 HydrophobicContact CB-CE2 3.85Å; E410-L467 HydrophobicContact CB-CB 4.42Å; E410-L467 PolarHBondContact N-O 3.47Å; E410-L467 PolarHBondContact O-N 3.06Å; E410-K469 WeakPolarHBondContact OE1-CE 3.43Å; E410-K469 IonicContact OE1-NZ 3.48Å; E410-K469 PolarHBondContact OE1-NZ 3.39Å; E410-K469 IonicContact OE2-NZ 3.58Å; E410-K469 PolarHBondContact OE2-NZ 3.46Å
411W88.3Confident80.4Confident14 Ų1459.9 Ų59.95%0.05331%0.307CS..EExtended strand (participates in β ladder)trans-104.4135.7-177.5-69.299.5000112.5L384 A397 C399 L430 S451 V453 V464 C466L384-W411 HydrophobicContact CD1-CH2 3.81Å; L384-W411 HydrophobicContact CD1-CZ3 3.99Å; A397-W411 HydrophobicContact CB-CH2 4.02Å; A397-W411 HydrophobicContact CB-CZ3 4.05Å; C399-W411 HydrophobicContact CB-CH2 3.46Å; C399-W411 VanDerWaalsContact CB-CH2 3.46Å; C399-W411 HydrophobicContact CB-CZ2 3.46Å; C399-W411 VanDerWaalsContact CB-CZ2 3.46Å; C399-W411 HydrophobicContact CB-CZ3 4.44Å; W411-L430 HydrophobicContact CB-CB 4.29Å; W411-L430 HydrophobicContact CB-CD1 3.45Å; W411-L430 VanDerWaalsContact CB-CD1 3.45Å; W411-L430 HydrophobicContact CB-CG 4.49Å; W411-L430 HydrophobicContact CG-CD1 4.45Å; W411-L430 PolarHBondContact O-N 2.77Å; W411-S451 WeakPolarHBondContact CZ2-O 3.45Å; W411-S451 PolarHBondContact NE1-OG 2.99Å; W411-V453 HydrophobicContact CD2-CB 4.3Å; W411-V453 HydrophobicContact CD2-CG1 3.78Å; W411-V453 HydrophobicContact CE3-CG1 3.77Å; W411-V453 HydrophobicContact CG-CG1 4.42Å; W411-V453 HydrophobicContact CH2-CG1 3.9Å; W411-V453 HydrophobicContact CZ2-CG1 3.95Å; W411-V453 HydrophobicContact CZ3-CG1 3.83Å; W411-V464 HydrophobicContact CE3-CG1 3.55Å; W411-V464 HydrophobicContact CZ3-CG1 3.65Å; W411-C466 HydrophobicContact CE3-CB 4.07Å; W411-C466 HydrophobicContact CH2-CB 4.06Å; W411-C466 HydrophobicContact CZ3-CB 3.78Å
412F86.6Confident78.9Confident41 Ų4167.2 Ų67.218%0.1835%0.346CS..EExtended strand (participates in β ladder)trans-127.1148.9178.3-63.3-99.2000111.2E410 W427 A428 P429 V464 R465 L467E410-F412 HydrophobicContact CB-CE2 3.85Å; F412-W427 HydrophobicContact CB-CB 4.33Å; F412-W427 HydrophobicContact CB-CE3 3.89Å; F412-W427 HydrophobicContact CD1-CB 4.36Å; F412-A428 CarbonylContact C-O 3.03Å; F412-A428 WeakPolarHBondContact CA-O 3.24Å; F412-P429 HydrophobicContact CD1-CB 4.2Å; F412-P429 HydrophobicContact CE1-CB 4Å; F412-V464 CarbonylContact O-C 3.56Å; F412-V464 WeakPolarHBondContact O-CA 3.43Å; F412-R465 HydrophobicContact CB-CB 4.22Å; F412-R465 PolarHBondContact N-O 3.12Å; F412-R465 PolarHBondContact O-N 3.17Å; F412-L467 HydrophobicContact CD2-CB 4.29Å; F412-L467 HydrophobicContact CE2-CB 3.94Å; F412-L467 HydrophobicContact CE2-CD2 3.81Å; F412-L467 HydrophobicContact CZ-CD2 4.29Å
413I85.4Confident77.6Confident26 Ų2665.4 Ų65.413%0.13335%0.345CS..EExtended strand (participates in β ladder)trans-125.8149.617754.8170.1000112.1A428 L430 F455 L462 A463 V464I413-A428 PolarHBondContact N-O 2.9Å; I413-A428 PolarHBondContact O-N 3.3Å; I413-L430 HydrophobicContact CB-CG 4.46Å; I413-L430 HydrophobicContact CD1-CD2 4.32Å; I413-L430 HydrophobicContact CD1-CG 4.4Å; I413-L430 HydrophobicContact CG1-CG 4.19Å; I413-L430 HydrophobicContact CG2-CD1 3.46Å; I413-L430 VanDerWaalsContact CG2-CD1 3.46Å; I413-L430 HydrophobicContact CG2-CD2 3.97Å; I413-L430 HydrophobicContact CG2-CG 3.61Å; I413-F455 HydrophobicContact CG2-CE1 4.2Å; I413-F455 HydrophobicContact CG2-CZ 4.29Å; I413-L462 HydrophobicContact CB-CD2 4.08Å; I413-L462 HydrophobicContact CG2-CD2 3.76Å; I413-A463 WeakPolarHBondContact CA-O 3.18Å; I413-V464 HydrophobicContact CG2-CG2 4.37Å
414C82.6Confident76.4Confident4 Ų469.5 Ų69.53%0.02737%0.371CS..EExtended strand (participates in β ladder)trans-139.9125.4173.3-1720000111.3C420 W427 A463C414-C420 HydrophobicContact CB-CB 3.8Å; C414-C420 WeakPolarHBondContact CB-SG 2.93Å; C414-C420 WeakPolarHBondContact SG-CB 3.48Å; C414-C420 CovalentContact SG-SG 2.01Å; C414-C420 PolarHBondContact SG-SG 3.13Å; C414-W427 HydrophobicContact CB-CD2 4.03Å; C414-W427 HydrophobicContact CB-CE3 3.8Å; C414-W427 HydrophobicContact CB-CH2 4.24Å; C414-W427 HydrophobicContact CB-CZ2 4.41Å; C414-W427 HydrophobicContact CB-CZ3 3.9Å; C414-A463 HydrophobicContact CB-CB 4.49Å; C414-A463 PolarHBondContact N-O 2.71Å; C414-A463 PolarHBondContact O-N 3.43Å
415K74.8Confident75.4Confident168 Ų16869.5 Ų69.573%0.7338%0.38SS*.SBendtrans-86.9-20.2-176.1-68.7178.4179.71790114L462K415-L462 HydrophobicContact CB-CD1 4.27Å; K415-L462 HydrophobicContact CG-CD1 3.51Å
416N71.3Confident74.6Confident75 Ų7571.8 Ų71.840%0.40139%0.386SS..  trans-11483.4-175-168.6-6.3000112K418 Q419 C420N416-K418 PolarHBondContact O-N 3.31Å; N416-Q419 VanDerWaalsContact ND2-CD 3.28Å; N416-Q419 PolarHBondContact ND2-OE1 3.41Å; N416-Q419 PolarHBondContact O-N 2.79Å; N416-C420 PolarHBondContact O-N 3.3Å; N416-C420 VanDerWaalsContact O-N 3.16Å; N416-C420 PolarHBondContact O-SG 2.82Å
417I68.2Low74.3Confident55 Ų5569.4 Ų69.428%0.28237%0.369SS..Hα-helixtrans-50.2-31.8-170.2-59.6164.7000113.6T461 K480I417-T461 WeakPolarHBondContact CD1-OG1 3.44Å; I417-K480 HydrophobicContact CG2-CD 4.48Å
418K63.4Low73.9Confident187 Ų18771.5 Ų71.581%0.81339%0.387SS*.Hα-helixtrans-73.6-24.1-180-67.6-172.3178.6-176.90114N416N416-K418 PolarHBondContact O-N 3.31Å
419Q64.1Low73.5Confident91 Ų9172 Ų7243%0.42539%0.391SS..Hα-helixtrans-101.7-23.1-178.7-69.5177.5-20.900112.1N416 A421 N422N416-Q419 VanDerWaalsContact ND2-CD 3.28Å; N416-Q419 PolarHBondContact ND2-OE1 3.41Å; N416-Q419 PolarHBondContact O-N 2.79Å; Q419-A421 VanDerWaalsContact C-N 3.26Å; Q419-A421 PolarHBondContact O-N 3.18Å; Q419-N422 PolarHBondContact O-N 3.12Å
420C65.1Low72.9Confident7 Ų771.3 Ų71.35%0.04739%0.387CS..Hα-helixtrans-62.9-27.4-179.4-48.10000114.3C414 N416 W427C414-C420 HydrophobicContact CB-CB 3.8Å; C414-C420 WeakPolarHBondContact CB-SG 2.93Å; C414-C420 WeakPolarHBondContact SG-CB 3.48Å; C414-C420 CovalentContact SG-SG 2.01Å; C414-C420 PolarHBondContact SG-SG 3.13Å; N416-C420 PolarHBondContact O-N 3.3Å; N416-C420 VanDerWaalsContact O-N 3.16Å; N416-C420 PolarHBondContact O-SG 2.82Å; C420-W427 HydrophobicContact CB-CZ2 4Å; C420-W427 PolarHBondContact O-NE1 3.35Å; C420-W427 VanDerWaalsContact O-NE1 3.08Å
421A60.8Low71.7Confident76 Ų7671.6 Ų71.663%0.62840%0.395SS*.THydrogen-bonded Turntrans-78.4-22.4-176.500000113.9Q419Q419-A421 VanDerWaalsContact C-N 3.26Å; Q419-A421 PolarHBondContact O-N 3.18Å
422N56.8Low70.2Confident153 Ų15376.5 Ų76.582%0.81843%0.426SS*.THydrogen-bonded Turntrans-107.6-20.5-170-76.6-0.1000114.3Q419Q419-N422 PolarHBondContact O-N 3.12Å
423D60.9Low68.7Low76 Ų7682 Ų8241%0.40646%0.458SS..  trans-145.6122.8-172.3-169.9-13.4000112.2S425 F426D423-S425 PolarHBondContact O-N 3.05Å; D423-S425 PolarHBondContact OD1-N 2.87Å; D423-S425 VanDerWaalsContact OD1-N 3.14Å; D423-S425 PolarHBondContact OD1-OG 3.44Å; D423-S425 PolarHBondContact OD2-OG 2.8Å; D423-F426 HydrophobicContact CB-CD2 3.76Å; D423-F426 HydrophobicContact CB-CE2 3.84Å; D423-F426 PolarHBondContact O-N 3.21Å
424S62Low67.4Low98 Ų9882.8 Ų82.869%0.68547%0.465SS*.G310 helixtrans-64.4-17.8-177.8620000114.1F426S424-F426 VanDerWaalsContact C-N 3.31Å; S424-F426 PolarHBondContact O-N 3.04Å
425S64.3Low66Low83 Ų8390 Ų9058%0.5851%0.509SS*.G310 helixtrans-74.1-15.1-177.961.70000114.9D423D423-S425 PolarHBondContact O-N 3.05Å; D423-S425 PolarHBondContact OD1-N 2.87Å; D423-S425 VanDerWaalsContact OD1-N 3.14Å; D423-S425 PolarHBondContact OD1-OG 3.44Å; D423-S425 PolarHBondContact OD2-OG 2.8Å
426F69.8Low65.4Low95 Ų9588.9 Ų88.942%0.41751%0.507SS..G310 helixtrans-89.5-3.8179.6-66.9-85.9000113.9D423 S424D423-F426 HydrophobicContact CB-CD2 3.76Å; D423-F426 HydrophobicContact CB-CE2 3.84Å; D423-F426 PolarHBondContact O-N 3.21Å; S424-F426 VanDerWaalsContact C-N 3.31Å; S424-F426 PolarHBondContact O-N 3.04Å
427W78.4Confident65.3Low22 Ų2287 Ų878%0.08350%0.496CS..PPolyproline II helixtrans-84.7116.2174.7-7090.4000109.9F412 C414 C420 A463 R465 E478F412-W427 HydrophobicContact CB-CB 4.33Å; F412-W427 HydrophobicContact CB-CE3 3.89Å; F412-W427 HydrophobicContact CD1-CB 4.36Å; C414-W427 HydrophobicContact CB-CD2 4.03Å; C414-W427 HydrophobicContact CB-CE3 3.8Å; C414-W427 HydrophobicContact CB-CH2 4.24Å; C414-W427 HydrophobicContact CB-CZ2 4.41Å; C414-W427 HydrophobicContact CB-CZ3 3.9Å; C420-W427 HydrophobicContact CB-CZ2 4Å; C420-W427 PolarHBondContact O-NE1 3.35Å; C420-W427 VanDerWaalsContact O-NE1 3.08Å; W427-A463 HydrophobicContact CH2-CB 3.93Å; W427-A463 HydrophobicContact CZ3-CB 4.39Å; W427-R465 HydrophobicContact CD2-CB 4.45Å; W427-R465 HydrophobicContact CE3-CB 3.7Å; W427-R465 HydrophobicContact CH2-CB 3.71Å; W427-R465 HydrophobicContact CZ2-CB 4.48Å; W427-R465 HydrophobicContact CZ3-CB 3.29Å; W427-R465 HydrophobicContact CZ3-CG 4.43Å; W427-E478 HydrophobicContact CH2-CB 4.13Å; W427-E478 WeakPolarHBondContact CZ2-OE2 3.38Å
428A79.9Confident65.5Low49 Ų4988.2 Ų88.241%0.40551%0.507SS..EExtended strand (participates in β ladder)trans-98.5133.5176.500000110F412 I413F412-A428 CarbonylContact C-O 3.03Å; F412-A428 WeakPolarHBondContact CA-O 3.24Å; I413-A428 PolarHBondContact N-O 2.9Å; I413-A428 PolarHBondContact O-N 3.3Å
429P81.3Confident66.1Low93 Ų9382.7 Ų82.760%0.60449%0.485SS*.EExtended strand (participates in β ladder)trans-62.2139.6172.227.1-33.3000109.5F412 P431F412-P429 HydrophobicContact CD1-CB 4.2Å; F412-P429 HydrophobicContact CE1-CB 4Å; P429-P431 WeakPolarHBondContact O-CD 2.83Å
430L77.3Confident66.8Low13 Ų1384.1 Ų84.17%0.06849%0.491CS..PPolyproline II helixtrans-68.4122.6177.5-96145.8000110.3W411 I413 T432 I437 M439 V453 F455W411-L430 HydrophobicContact CB-CB 4.29Å; W411-L430 HydrophobicContact CB-CD1 3.45Å; W411-L430 VanDerWaalsContact CB-CD1 3.45Å; W411-L430 HydrophobicContact CB-CG 4.49Å; W411-L430 HydrophobicContact CG-CD1 4.45Å; W411-L430 PolarHBondContact O-N 2.77Å; I413-L430 HydrophobicContact CB-CG 4.46Å; I413-L430 HydrophobicContact CD1-CD2 4.32Å; I413-L430 HydrophobicContact CD1-CG 4.4Å; I413-L430 HydrophobicContact CG1-CG 4.19Å; I413-L430 HydrophobicContact CG2-CD1 3.46Å; I413-L430 VanDerWaalsContact CG2-CD1 3.46Å; I413-L430 HydrophobicContact CG2-CD2 3.97Å; I413-L430 HydrophobicContact CG2-CG 3.61Å; L430-T432 PolarHBondContact O-N 3.47Å; L430-I437 HydrophobicContact CD2-CD1 3.46Å; L430-I437 VanDerWaalsContact CD2-CD1 3.46Å; L430-I437 HydrophobicContact CD2-CG2 4.01Å; L430-M439 HydrophobicContact CB-CE 3.57Å; L430-M439 HydrophobicContact CD2-CE 4.46Å; L430-M439 HydrophobicContact CG-CE 4.5Å; L430-V453 HydrophobicContact CD1-CG2 4.43Å; L430-F455 HydrophobicContact CD1-CZ 4.32Å; L430-F455 HydrophobicContact CD2-CE1 4.1Å
431P65.4Low67.5Low78 Ų7887.8 Ų87.851%0.50652%0.517SS..PPolyproline II helixtrans-71.1127.4177.826.9-31000110.2P429 N433P429-P431 WeakPolarHBondContact O-CD 2.83Å; P431-N433 PolarHBondContact O-N 3Å
432T55.9Low68.6Low116 Ų11688.1 Ų88.171%0.71251%0.505SS*.SBendtrans-66.9-3.8-175.543.70000115.2L430 M439L430-T432 PolarHBondContact O-N 3.47Å; T432-M439 HydrophobicContact CG2-CE 4.46Å
433N54.3Low69.7Low157 Ų15786.9 Ų86.984%0.8449%0.493SS*.  trans-134.163.4-176.5-74.5-34.9000112.2P431P431-N433 PolarHBondContact O-N 3Å
434S58.5Low70.4Confident42 Ų4286.2 Ų86.229%0.29449%0.49SS..BIsolated β-bridgetrans-119135.4168.168.70000109.8E436 I437S434-E436 PolarHBondContact O-N 2.85Å; S434-I437 PolarHBondContact O-N 2.8Å; S434-I437 WeakPolarHBondContact OG-CB 3.19Å; S434-I437 WeakPolarHBondContact OG-CG1 3.41Å
435T54.2Low70.9Confident155 Ų15590.7 Ų90.795%0.95150%0.5SS*.THydrogen-bonded Turntrans-67.3-6.8-172.649.10000114.6
436E61.5Low71.1Confident145 Ų14593.8 Ų93.868%0.67851%0.505SS*.THydrogen-bonded Turntrans-110.40.8-177.8-65.3-176.117100113.3S434 G456S434-E436 PolarHBondContact O-N 2.85Å; E436-G456 PolarHBondContact O-N 3.4Å; E436-G456 VanDerWaalsContact O-N 3.14Å
437I69.4Low71.2Confident35 Ų3594 Ų9418%0.17952%0.518CS..EExtended strand (participates in β ladder)trans-135.9122.4-177.1-51.4179.1000110.2L430 S434 V453 M454 F455L430-I437 HydrophobicContact CD2-CD1 3.46Å; L430-I437 VanDerWaalsContact CD2-CD1 3.46Å; L430-I437 HydrophobicContact CD2-CG2 4.01Å; S434-I437 PolarHBondContact O-N 2.8Å; S434-I437 WeakPolarHBondContact OG-CB 3.19Å; S434-I437 WeakPolarHBondContact OG-CG1 3.41Å; I437-V453 HydrophobicContact CG2-CG2 3.53Å; I437-M454 VanDerWaalsContact CA-O 3.3Å; I437-M454 WeakPolarHBondContact CA-O 3.42Å; I437-M454 WeakPolarHBondContact CG2-O 3.28Å; I437-F455 HydrophobicContact CD1-CD1 4.1Å; I437-F455 HydrophobicContact CD1-CE1 4.13Å; I437-F455 HydrophobicContact CG1-CD1 4.2Å
438T71.4Confident71.5Confident82 Ų8293.6 Ų93.650%0.50352%0.517SS..EExtended strand (participates in β ladder)trans-113.8138.1173.152.70000110.3V453 M454T438-V453 WeakPolarHBondContact O-CA 3.47Å; T438-M454 PolarHBondContact N-O 2.65Å; T438-M454 PolarHBondContact O-N 3.28Å; T438-M454 WeakPolarHBondContact OG1-CB 3.4Å
439M76.3Confident71.8Confident70 Ų7092.3 Ų92.335%0.34550%0.504SS..EExtended strand (participates in β ladder)trans-117.9128.2175-65.3-179.7-138.500109.2L430 T432 Q452 V453L430-M439 HydrophobicContact CB-CE 3.57Å; L430-M439 HydrophobicContact CD2-CE 4.46Å; L430-M439 HydrophobicContact CG-CE 4.5Å; T432-M439 HydrophobicContact CG2-CE 4.46Å; M439-Q452 VanDerWaalsContact CA-O 3.31Å; M439-Q452 WeakPolarHBondContact CA-O 3.31Å; M439-V453 HydrophobicContact CG-CB 4.26Å; M439-V453 HydrophobicContact CG-CG2 3.96Å
440E78.5Confident72.1Confident122 Ų12289.4 Ų89.457%0.5748%0.482SS*.EExtended strand (participates in β ladder)trans-127.3146.2175.2-66.6-177.4-174.700108.7S451 Q452E440-S451 CarbonylContact O-C 3.53Å; E440-S451 WeakPolarHBondContact O-CA 3.43Å; E440-Q452 PolarHBondContact N-O 2.6Å; E440-Q452 PolarHBondContact O-N 3.07Å
441S81.2Confident72.6Confident84 Ų8489.2 Ų89.259%0.58748%0.482SS*.EExtended strand (participates in β ladder)trans-136128.317459.40000109.2E450S441-E450 CarbonylContact C-O 3.58Å; S441-E450 WeakPolarHBondContact CA-O 3.39Å
442H84Confident73.6Confident82 Ų8287 Ų8738%0.3847%0.465SS..EExtended strand (participates in β ladder)trans-138.3160.6177.361.6-80.1000109.8E450H442-E450 VanDerWaalsContact CE1-CD 3.41Å; H442-E450 IonicContact CE1-OE1 3.65Å; H442-E450 PolarHBondContact CE1-OE1 2.84Å; H442-E450 IonicContact CE1-OE2 2.69Å; H442-E450 PolarHBondContact N-O 3.26Å; H442-E450 IonicContact NE2-OE1 3.64Å; H442-E450 IonicContact NE2-OE2 3.68Å; H442-E450 PolarHBondContact O-N 3.47Å; H442-E450 VanDerWaalsContact O-O 3.08Å
443F80.2Confident75.1Confident128 Ų12881.5 Ų81.556%0.56143%0.431SS*.EExtended strand (participates in β ladder)trans-88.4130.8170.8-68.9-81.8000108.4T406 N448 L449T406-F443 HydrophobicContact CG2-CE1 3.84Å; T406-F443 HydrophobicContact CG2-CZ 4.11Å; F443-N448 WeakPolarHBondContact CA-O 3.44Å; F443-L449 HydrophobicContact CD1-CB 4.47Å; F443-L449 HydrophobicContact CE1-CB 4.22Å; F443-L449 HydrophobicContact CE1-CD1 4.17Å; F443-L449 HydrophobicContact CZ-CD1 4.24Å
444D75.4Confident76.3Confident62 Ų6276.1 Ų76.133%0.33240%0.401SS..  trans-75.8170.1173.7-169.516000110.7E446 S447 N448D444-E446 PolarHBondContact O-N 3.07Å; D444-E446 VanDerWaalsContact O-N 3.1Å; D444-S447 PolarHBondContact O-N 3.48Å; D444-N448 PolarHBondContact N-O 3.45Å
445E71.2Confident77.3Confident192 Ų19274.7 Ų74.790%0.89739%0.39SS*.THydrogen-bonded Turntrans-56.5-26.5179.8-64.4-169.4167.100112.8S447E445-S447 VanDerWaalsContact C-N 3.33Å
446E69.4Low78Confident148 Ų14869 Ų6969%0.69236%0.361SS*.THydrogen-bonded Turntrans-88.312.1175.4-62.6-171.4170.700114.2D444 N448D444-E446 PolarHBondContact O-N 3.07Å; D444-E446 VanDerWaalsContact O-N 3.1Å; E446-N448 PolarHBondContact O-N 3.21Å; E446-N448 PolarHBondContact OE2-ND2 3.41Å
447S72.3Confident78.3Confident99 Ų9969.7 Ų69.769%0.69237%0.365SS*.SBendtrans6116.5-175.8-55.90000115.3D444 E445D444-S447 PolarHBondContact O-N 3.48Å; E445-S447 VanDerWaalsContact C-N 3.33Å
448N83.4Confident78.1Confident13 Ų1369.4 Ų69.47%0.0736%0.363CS..  trans-75146169.3-64.2-46.2000109.9I400 F443 D444 E446 E450I400-N448 HydrophobicContact CG2-CB 3.86Å; F443-N448 WeakPolarHBondContact CA-O 3.44Å; D444-N448 PolarHBondContact N-O 3.45Å; E446-N448 PolarHBondContact O-N 3.21Å; E446-N448 PolarHBondContact OE2-ND2 3.41Å; N448-E450 PolarHBondContact O-N 2.91Å
449L85.8Confident77.6Confident22 Ų2274.6 Ų74.612%0.11538%0.379CS..EExtended strand (participates in β ladder)trans-84.7108.9174.2176.970.2000109T401 T406 P407 V409 F443T401-L449 PolarHBondContact N-O 3.49Å; T401-L449 PolarHBondContact O-N 2.96Å; T401-L449 PolarHBondContact OG1-O 3.23Å; T406-L449 HydrophobicContact CG2-CB 4.48Å; P407-L449 WeakPolarHBondContact O-CD2 3.39Å; V409-L449 HydrophobicContact CG2-CD2 3.98Å; F443-L449 HydrophobicContact CD1-CB 4.47Å; F443-L449 HydrophobicContact CE1-CB 4.22Å; F443-L449 HydrophobicContact CE1-CD1 4.17Å; F443-L449 HydrophobicContact CZ-CD1 4.24Å
450E88.1Confident77.1Confident32 Ų3274.5 Ų74.515%0.1539%0.385CS..EExtended strand (participates in β ladder)trans-92122.2171-175.7174.3147.500109.4V398 I400 S441 H442 N448V398-E450 HydrophobicContact CG1-CG 3.56Å; V398-E450 VanDerWaalsContact CG1-OE1 3.25Å; V398-E450 WeakPolarHBondContact CG1-OE1 3.25Å; I400-E450 HydrophobicContact CG1-CB 4.41Å; I400-E450 HydrophobicContact CG1-CG 4.08Å; S441-E450 CarbonylContact C-O 3.58Å; S441-E450 WeakPolarHBondContact CA-O 3.39Å; H442-E450 VanDerWaalsContact CE1-CD 3.41Å; H442-E450 IonicContact CE1-OE1 3.65Å; H442-E450 PolarHBondContact CE1-OE1 2.84Å; H442-E450 IonicContact CE1-OE2 2.69Å; H442-E450 PolarHBondContact N-O 3.26Å; H442-E450 IonicContact NE2-OE1 3.64Å; H442-E450 IonicContact NE2-OE2 3.68Å; H442-E450 PolarHBondContact O-N 3.47Å; H442-E450 VanDerWaalsContact O-O 3.08Å; N448-E450 PolarHBondContact O-N 2.91Å
451S89Confident76.9Confident10 Ų1071.4 Ų71.47%0.0738%0.375CS..EExtended strand (participates in β ladder)trans-114.5129.8169.4-174.40000109.2C399 W411 E440C399-S451 PolarHBondContact N-O 2.78Å; C399-S451 PolarHBondContact O-N 3.32Å; W411-S451 WeakPolarHBondContact CZ2-O 3.45Å; W411-S451 PolarHBondContact NE1-OG 2.99Å; E440-S451 CarbonylContact O-C 3.53Å; E440-S451 WeakPolarHBondContact O-CA 3.43Å
452Q86.6Confident76.8Confident32 Ų3268 Ų6815%0.1535%0.35CS..EExtended strand (participates in β ladder)trans-117.4137.1177.7178.7172.343.300110.1S396 A397 V398 M439 E440 M454S396-Q452 PolarHBondContact OG-NE2 2.68Å; A397-Q452 WeakPolarHBondContact O-CA 3.42Å; V398-Q452 HydrophobicContact CG2-CB 4.11Å; V398-Q452 HydrophobicContact CG2-CG 3.79Å; M439-Q452 VanDerWaalsContact CA-O 3.31Å; M439-Q452 WeakPolarHBondContact CA-O 3.31Å; E440-Q452 PolarHBondContact N-O 2.6Å; E440-Q452 PolarHBondContact O-N 3.07Å; Q452-M454 HydrophobicContact CG-CG 4.42Å; Q452-M454 HydrophobicContact CG-SD 4.08Å; Q452-M454 PolarHBondContact NE2-SD 2.61Å; Q452-M454 VanDerWaalsContact NE2-SD 3.41Å
453V86.6Confident76.8Confident0 Ų064.3 Ų64.30%033%0.333CS..EExtended strand (participates in β ladder)trans-120.7121.9168.662.10000110.2S396 A397 W411 L430 I437 T438 M439 F455 V464S396-V453 CarbonylContact C-O 3.59Å; S396-V453 VanDerWaalsContact CA-O 3.26Å; S396-V453 WeakPolarHBondContact CA-O 3.46Å; S396-V453 WeakPolarHBondContact CB-O 3.38Å; A397-V453 HydrophobicContact CB-CG1 3.87Å; A397-V453 PolarHBondContact N-O 3.15Å; A397-V453 PolarHBondContact O-N 3Å; W411-V453 HydrophobicContact CD2-CB 4.3Å; W411-V453 HydrophobicContact CD2-CG1 3.78Å; W411-V453 HydrophobicContact CE3-CG1 3.77Å; W411-V453 HydrophobicContact CG-CG1 4.42Å; W411-V453 HydrophobicContact CH2-CG1 3.9Å; W411-V453 HydrophobicContact CZ2-CG1 3.95Å; W411-V453 HydrophobicContact CZ3-CG1 3.83Å; L430-V453 HydrophobicContact CD1-CG2 4.43Å; I437-V453 HydrophobicContact CG2-CG2 3.53Å; T438-V453 WeakPolarHBondContact O-CA 3.47Å; M439-V453 HydrophobicContact CG-CB 4.26Å; M439-V453 HydrophobicContact CG-CG2 3.96Å; V453-F455 HydrophobicContact CB-CE2 4.46Å; V453-F455 HydrophobicContact CG1-CE2 3.69Å; V453-F455 HydrophobicContact CG1-CZ 3.97Å; V453-F455 HydrophobicContact CG2-CE1 4.38Å; V453-F455 HydrophobicContact CG2-CE2 4.08Å; V453-F455 HydrophobicContact CG2-CZ 3.89Å; V453-V464 HydrophobicContact CG1-CG1 4.42Å
454M79.7Confident77.1Confident44 Ų4458.2 Ų58.222%0.21731%0.306CS..EExtended strand (participates in β ladder)trans-97.7131.4178-57.6-71.2-53.900109.8S396 I437 T438 Q452S396-M454 WeakPolarHBondContact CB-SD 3.4Å; I437-M454 VanDerWaalsContact CA-O 3.3Å; I437-M454 WeakPolarHBondContact CA-O 3.42Å; I437-M454 WeakPolarHBondContact CG2-O 3.28Å; T438-M454 PolarHBondContact N-O 2.65Å; T438-M454 PolarHBondContact O-N 3.28Å; T438-M454 WeakPolarHBondContact OG1-CB 3.4Å; Q452-M454 HydrophobicContact CG-CG 4.42Å; Q452-M454 HydrophobicContact CG-SD 4.08Å; Q452-M454 PolarHBondContact NE2-SD 2.61Å; Q452-M454 VanDerWaalsContact NE2-SD 3.41Å
455F78.4Confident77.7Confident12 Ų1258.4 Ų58.45%0.05330%0.302CS..EExtended strand (participates in β ladder)trans-110136.4171.8-57.7-88.3000109.7G394 Q395 A397 I413 L430 I437 V453 L458 L462 V464 L481G394-F455 CarbonylContact C-O 3.54Å; G394-F455 WeakPolarHBondContact CA-O 3.39Å; Q395-F455 PolarHBondContact N-O 3.46Å; Q395-F455 WeakPolarHBondContact O-CA 3.42Å; Q395-F455 WeakPolarHBondContact O-CB 3.19Å; Q395-F455 PolarHBondContact O-N 2.88Å; Q395-F455 VanDerWaalsContact O-O 3.12Å; A397-F455 HydrophobicContact CB-CE2 4.48Å; I413-F455 HydrophobicContact CG2-CE1 4.2Å; I413-F455 HydrophobicContact CG2-CZ 4.29Å; L430-F455 HydrophobicContact CD1-CZ 4.32Å; L430-F455 HydrophobicContact CD2-CE1 4.1Å; I437-F455 HydrophobicContact CD1-CD1 4.1Å; I437-F455 HydrophobicContact CD1-CE1 4.13Å; I437-F455 HydrophobicContact CG1-CD1 4.2Å; V453-F455 HydrophobicContact CB-CE2 4.46Å; V453-F455 HydrophobicContact CG1-CE2 3.69Å; V453-F455 HydrophobicContact CG1-CZ 3.97Å; V453-F455 HydrophobicContact CG2-CE1 4.38Å; V453-F455 HydrophobicContact CG2-CE2 4.08Å; V453-F455 HydrophobicContact CG2-CZ 3.89Å; F455-L458 HydrophobicContact CB-CD1 4.26Å; F455-L458 HydrophobicContact CB-CG 4.4Å; F455-L462 HydrophobicContact CE1-CD2 4.21Å; F455-V464 HydrophobicContact CE1-CG2 4.49Å; F455-V464 HydrophobicContact CE2-CG1 4.34Å; F455-V464 HydrophobicContact CE2-CG2 3.74Å; F455-V464 HydrophobicContact CZ-CG1 4.07Å; F455-V464 HydrophobicContact CZ-CG2 3.57Å; F455-L481 HydrophobicContact CD2-CD1 3.39Å; F455-L481 HydrophobicContact CE2-CD1 3.53Å; F455-L481 HydrophobicContact CG-CD1 4.17Å; F455-L481 HydrophobicContact CZ-CD1 4.4Å
456G70.2Confident78.7Confident34 Ų3449.2 Ų49.235%0.35126%0.26SS..  trans-66.3-131.6172.600000114.1E436 L458E436-G456 PolarHBondContact O-N 3.4Å; E436-G456 VanDerWaalsContact O-N 3.14Å; G456-L458 PolarHBondContact O-N 2.78Å
457H66.9Low79.7Confident161 Ų16144 Ų4475%0.74524%0.236SC*.  trans-83.5109.9-178.4-170.268.3000112.4K459H457-K459 PolarHBondContact O-N 2.85Å
458L65.9Low80.6Confident29 Ų2939.3 Ų39.315%0.15220%0.203CC..  trans-80.4107-179.2-77.4152.4000112.4Q395 F455 G456 S460 L462 L481 S483Q395-L458 HydrophobicContact CB-CD1 3.81Å; Q395-L458 HydrophobicContact CG-CD1 4.14Å; F455-L458 HydrophobicContact CB-CD1 4.26Å; F455-L458 HydrophobicContact CB-CG 4.4Å; G456-L458 PolarHBondContact O-N 2.78Å; L458-S460 VanDerWaalsContact C-N 3.33Å; L458-L462 HydrophobicContact CD2-CB 4.17Å; L458-L481 HydrophobicContact CD1-CB 4.07Å; L458-L481 HydrophobicContact CD1-CD1 4.17Å; L458-S483 PolarHBondContact O-OG 2.82Å
459K60.7Low80.9Confident191 Ų19142.3 Ų42.383%0.8322%0.216SC*.SBendtrans-73.6-19.1177.5-65.3179-178171.30114.4H457H457-K459 PolarHBondContact O-N 2.85Å
460S65.8Low81.1Confident67 Ų6742.4 Ų42.447%0.46922%0.217SC..SBendtrans-152.4156.6-179.5600000110.1L458 L462L458-S460 VanDerWaalsContact C-N 3.33Å; S460-L462 PolarHBondContact O-N 3.13Å
461T73.4Confident81Confident58 Ų5848.9 Ų48.936%0.35625%0.247SC..  trans-59.5134.2174.651.20000110.8I417 L481 V482I417-T461 WeakPolarHBondContact CD1-OG1 3.44Å; T461-L481 WeakPolarHBondContact CA-O 3.21Å; T461-V482 HydrophobicContact CG2-CG1 4.16Å
462L80.6Confident80.8Confident13 Ų1351.4 Ų51.47%0.06826%0.259CS..EExtended strand (participates in β ladder)trans-129.9143-176.4-16686.9000110I413 K415 F455 L458 S460 V464 L481I413-L462 HydrophobicContact CB-CD2 4.08Å; I413-L462 HydrophobicContact CG2-CD2 3.76Å; K415-L462 HydrophobicContact CB-CD1 4.27Å; K415-L462 HydrophobicContact CG-CD1 3.51Å; F455-L462 HydrophobicContact CE1-CD2 4.21Å; L458-L462 HydrophobicContact CD2-CB 4.17Å; S460-L462 PolarHBondContact O-N 3.13Å; L462-V464 HydrophobicContact CD2-CG2 4.12Å; L462-L481 PolarHBondContact N-O 3.48Å; L462-L481 PolarHBondContact O-N 2.98Å
463A83.6Confident80.7Confident3 Ų351.1 Ų51.13%0.02526%0.264CS..EExtended strand (participates in β ladder)trans-97.7132.6168.500000110I413 C414 W427I413-A463 WeakPolarHBondContact CA-O 3.18Å; C414-A463 HydrophobicContact CB-CB 4.49Å; C414-A463 PolarHBondContact N-O 2.71Å; C414-A463 PolarHBondContact O-N 3.43Å; W427-A463 HydrophobicContact CH2-CB 3.93Å; W427-A463 HydrophobicContact CZ3-CB 4.39Å
464V87Confident80.7Confident0 Ų054.5 Ų54.50%029%0.292CS..EExtended strand (participates in β ladder)trans-118.6134.5179-175.10000108.2A397 W411 F412 I413 V453 F455 L462 E478 I479 L481A397-V464 HydrophobicContact CB-CG1 4.43Å; W411-V464 HydrophobicContact CE3-CG1 3.55Å; W411-V464 HydrophobicContact CZ3-CG1 3.65Å; F412-V464 CarbonylContact O-C 3.56Å; F412-V464 WeakPolarHBondContact O-CA 3.43Å; I413-V464 HydrophobicContact CG2-CG2 4.37Å; V453-V464 HydrophobicContact CG1-CG1 4.42Å; F455-V464 HydrophobicContact CE1-CG2 4.49Å; F455-V464 HydrophobicContact CE2-CG1 4.34Å; F455-V464 HydrophobicContact CE2-CG2 3.74Å; F455-V464 HydrophobicContact CZ-CG1 4.07Å; F455-V464 HydrophobicContact CZ-CG2 3.57Å; L462-V464 HydrophobicContact CD2-CG2 4.12Å; V464-E478 CarbonylContact O-C 3.53Å; V464-E478 VanDerWaalsContact O-CA 3.24Å; V464-E478 WeakPolarHBondContact O-CA 3.01Å; V464-I479 HydrophobicContact CB-CG2 4.19Å; V464-I479 PolarHBondContact N-O 2.99Å; V464-I479 PolarHBondContact O-N 2.92Å; V464-L481 HydrophobicContact CG2-CD1 3.69Å; V464-L481 HydrophobicContact CG2-CG 4.11Å
465R87.9Confident81.2Confident66 Ų6654.8 Ų54.825%0.24930%0.296CS..EExtended strand (participates in β ladder)trans-122.6127.7179.3176.8-174.3-142.4157.78.9110F412 W427 S476 R477 E478F412-R465 HydrophobicContact CB-CB 4.22Å; F412-R465 PolarHBondContact N-O 3.12Å; F412-R465 PolarHBondContact O-N 3.17Å; W427-R465 HydrophobicContact CD2-CB 4.45Å; W427-R465 HydrophobicContact CE3-CB 3.7Å; W427-R465 HydrophobicContact CH2-CB 3.71Å; W427-R465 HydrophobicContact CZ2-CB 4.48Å; W427-R465 HydrophobicContact CZ3-CB 3.29Å; W427-R465 HydrophobicContact CZ3-CG 4.43Å; R465-S476 PolarHBondContact NE-OG 2.78Å; R465-S476 PolarHBondContact NH2-OG 3.38Å; R465-R477 CarbonylContact C-O 3.55Å; R465-R477 WeakPolarHBondContact CA-O 3.49Å; R465-E478 HydrophobicContact CB-CB 4.29Å
466C90.6Very high81.8Confident0 Ų056.1 Ų56.10%031%0.307CS..EExtended strand (participates in β ladder)trans-93.8125.7168.5177.60000108.4I381 L384 C399 V409 W411 S476 R477I381-C466 HydrophobicContact CD1-CB 4.44Å; L384-C466 HydrophobicContact CD1-CB 3.97Å; C399-C466 HydrophobicContact CB-CB 3.7Å; C399-C466 WeakPolarHBondContact CB-SG 3.49Å; C399-C466 WeakPolarHBondContact SG-CB 3.34Å; C399-C466 CovalentContact SG-SG 2.04Å; C399-C466 PolarHBondContact SG-SG 2.77Å; V409-C466 VanDerWaalsContact CG1-SG 3.54Å; W411-C466 HydrophobicContact CE3-CB 4.07Å; W411-C466 HydrophobicContact CH2-CB 4.06Å; W411-C466 HydrophobicContact CZ3-CB 3.78Å; C466-S476 CarbonylContact O-C 3.58Å; C466-S476 WeakPolarHBondContact O-CA 3.5Å; C466-S476 WeakPolarHBondContact O-CB 3.48Å; C466-R477 PolarHBondContact N-O 3.21Å; C466-R477 PolarHBondContact O-N 2.81Å
467L90.9Very high82.6Confident39 Ų3960.2 Ų60.220%0.20431%0.312CS..EExtended strand (participates in β ladder)trans-112.3112.1171.2175.169.6000108.3V409 E410 F412 A474 V475V409-L467 CarbonylContact C-O 3.57Å; V409-L467 WeakPolarHBondContact CA-O 3.16Å; E410-L467 HydrophobicContact CB-CB 4.42Å; E410-L467 PolarHBondContact N-O 3.47Å; E410-L467 PolarHBondContact O-N 3.06Å; F412-L467 HydrophobicContact CD2-CB 4.29Å; F412-L467 HydrophobicContact CE2-CB 3.94Å; F412-L467 HydrophobicContact CE2-CD2 3.81Å; F412-L467 HydrophobicContact CZ-CD2 4.29Å; L467-A474 HydrophobicContact CD1-CB 4.38Å; L467-V475 WeakPolarHBondContact CA-O 3.48Å
468A91.4Very high83.5Confident0 Ų056.8 Ų56.80%030%0.296CS..EExtended strand (participates in β ladder)trans-99.5125.617300000108.9A379 I381 T401 P407 V408 A474 V475A379-A468 HydrophobicContact CB-CB 4.33Å; I381-A468 HydrophobicContact CD1-CB 4.27Å; I381-A468 HydrophobicContact CG1-CB 3.77Å; T401-A468 HydrophobicContact CG2-CB 3.67Å; P407-A468 HydrophobicContact CB-CB 4.47Å; V408-A468 WeakPolarHBondContact O-CA 3.34Å; A468-A474 CarbonylContact O-C 3.57Å; A468-A474 WeakPolarHBondContact O-CA 3.33Å; A468-V475 HydrophobicContact CB-CG1 4.12Å; A468-V475 PolarHBondContact N-O 3.32Å; A468-V475 PolarHBondContact O-N 3.49Å
469K90.3Very high84.5Confident75 Ų7556.6 Ų56.633%0.32630%0.295SS..EExtended strand (participates in β ladder)trans-134.6137.7179.569.7-174.5179.8-164.50112.1P407 V408 E410 G473 A474P407-K469 CarbonylContact C-O 3.58Å; P407-K469 WeakPolarHBondContact CA-O 3.37Å; V408-K469 HydrophobicContact CB-CG 4.34Å; V408-K469 PolarHBondContact N-O 3.34Å; V408-K469 PolarHBondContact O-N 2.91Å; E410-K469 WeakPolarHBondContact OE1-CE 3.43Å; E410-K469 IonicContact OE1-NZ 3.48Å; E410-K469 PolarHBondContact OE1-NZ 3.39Å; E410-K469 IonicContact OE2-NZ 3.58Å; E410-K469 PolarHBondContact OE2-NZ 3.46Å; K469-G473 WeakPolarHBondContact CA-O 3.38Å; K469-A474 HydrophobicContact CB-CB 3.75Å
470N89.9Confident85.6Confident25 Ų2553 Ų5313%0.13428%0.28CS..  trans-129.5-176.6164.770.4-1.6000109.8V377 A379 P405 P407 I472 G473V377-N470 PolarHBondContact O-ND2 2.95Å; A379-N470 HydrophobicContact CB-CB 4.25Å; A379-N470 PolarHBondContact N-ND2 2.79Å; A379-N470 PolarHBondContact N-OD1 2.78Å; A379-N470 VanDerWaalsContact N-OD1 3.12Å; P405-N470 WeakPolarHBondContact O-CB 3.41Å; P405-N470 PolarHBondContact O-ND2 2.97Å; P407-N470 HydrophobicContact CB-CB 4.44Å; N470-I472 PolarHBondContact O-N 2.91Å; N470-I472 VanDerWaalsContact O-N 3.16Å; N470-I472 PolarHBondContact OD1-N 2.86Å; N470-I472 VanDerWaalsContact OD1-N 3.13Å; N470-G473 PolarHBondContact N-O 3.48Å; N470-G473 PolarHBondContact O-N 2.87Å; N470-G473 PolarHBondContact OD1-N 3Å; N470-G473 PolarHBondContact OD1-O 2.84Å
471E85.4Confident86.2Confident168 Ų16849.9 Ų49.979%0.78526%0.258SS*.SBendtrans-63.7-17.4-178.8-60.6-175.8167.100113.5
472I85.1Confident86.1Confident63 Ų6350.9 Ų50.932%0.32326%0.263SS..SBendtrans-97.6-31.4-177.7-56.4-54.1000112.3K376 P378 N470K376-I472 HydrophobicContact CB-CD1 4.17Å; K376-I472 HydrophobicContact CB-CG1 4.01Å; K376-I472 HydrophobicContact CD-CD1 3.8Å; K376-I472 HydrophobicContact CD-CG1 4.41Å; P378-I472 HydrophobicContact CB-CB 4.44Å; P378-I472 HydrophobicContact CB-CG2 3.92Å; N470-I472 PolarHBondContact O-N 2.91Å; N470-I472 VanDerWaalsContact O-N 3.16Å; N470-I472 PolarHBondContact OD1-N 2.86Å; N470-I472 VanDerWaalsContact OD1-N 3.13Å
473G84.1Confident85.3Confident25 Ų2552 Ų5226%0.25827%0.272SS..  trans-170165.7-178.600000114.5K469 N470K469-G473 WeakPolarHBondContact CA-O 3.38Å; N470-G473 PolarHBondContact N-O 3.48Å; N470-G473 PolarHBondContact O-N 2.87Å; N470-G473 PolarHBondContact OD1-N 3Å; N470-G473 PolarHBondContact OD1-O 2.84Å
474A87.9Confident83.9Confident72 Ų7259 Ų5960%0.59531%0.309SS*.EExtended strand (participates in β ladder)trans-131.8132.1175.900000110.4L467 A468 K469L467-A474 HydrophobicContact CD1-CB 4.38Å; A468-A474 CarbonylContact O-C 3.57Å; A468-A474 WeakPolarHBondContact O-CA 3.33Å; K469-A474 HydrophobicContact CB-CB 3.75Å
475V90.1Very high82.3Confident49 Ų4961.1 Ų61.130%0.29733%0.331SS..EExtended strand (participates in β ladder)trans-130.6144.2178.966.20000109.5A379 I381 L467 A468A379-V475 WeakPolarHBondContact O-CG1 3.42Å; I381-V475 HydrophobicContact CB-CG1 4.48Å; I381-V475 HydrophobicContact CD1-CG1 3.95Å; I381-V475 HydrophobicContact CG1-CG1 3.82Å; L467-V475 WeakPolarHBondContact CA-O 3.48Å; A468-V475 HydrophobicContact CB-CG1 4.12Å; A468-V475 PolarHBondContact N-O 3.32Å; A468-V475 PolarHBondContact O-N 3.49Å
476S89.3Confident80.5Confident40 Ų4064.2 Ų64.228%0.2836%0.36SS..EExtended strand (participates in β ladder)trans-131.2143.2173.867.80000112.1R465 C466R465-S476 PolarHBondContact NE-OG 2.78Å; R465-S476 PolarHBondContact NH2-OG 3.38Å; C466-S476 CarbonylContact O-C 3.58Å; C466-S476 WeakPolarHBondContact O-CA 3.5Å; C466-S476 WeakPolarHBondContact O-CB 3.48Å
477R87.1Confident78.5Confident121 Ų12172.4 Ų72.446%0.45740%0.398SS..EExtended strand (participates in β ladder)trans-128.7151170.4-76.2-171.4177.3163.33.5109.6I381 V382 L384 R465 C466I381-R477 HydrophobicContact CD1-CB 4.06Å; I381-R477 HydrophobicContact CD1-CG 4.19Å; I381-R477 HydrophobicContact CG2-CG 4.49Å; I381-R477 PolarHBondContact O-NH1 3.31Å; I381-R477 VanDerWaalsContact O-NH1 3.16Å; V382-R477 PolarHBondContact O-NH1 3.1Å; L384-R477 HydrophobicContact CD2-CB 3.81Å; R465-R477 CarbonylContact C-O 3.55Å; R465-R477 WeakPolarHBondContact CA-O 3.49Å; C466-R477 PolarHBondContact N-O 3.21Å; C466-R477 PolarHBondContact O-N 2.81Å
478E86.9Confident76.7Confident89 Ų8974.9 Ų74.942%0.41642%0.416SS..EExtended strand (participates in β ladder)trans-123146.4-179.363.8177.4-139.200112W427 V464 R465W427-E478 HydrophobicContact CH2-CB 4.13Å; W427-E478 WeakPolarHBondContact CZ2-OE2 3.38Å; V464-E478 CarbonylContact O-C 3.53Å; V464-E478 VanDerWaalsContact O-CA 3.24Å; V464-E478 WeakPolarHBondContact O-CA 3.01Å; R465-E478 HydrophobicContact CB-CB 4.29Å
479I86.6Confident74.8Confident25 Ų2583.3 Ų83.313%0.12846%0.456CS..EExtended strand (participates in β ladder)trans-133.1147.4175.6-166.9161000109.8L384 D386 A397 V464L384-I479 HydrophobicContact CD1-CG2 4.47Å; L384-I479 HydrophobicContact CD2-CB 3.91Å; L384-I479 HydrophobicContact CD2-CG2 4.02Å; L384-I479 HydrophobicContact CG-CB 4.19Å; L384-I479 HydrophobicContact CG-CG2 4.13Å; D386-I479 HydrophobicContact CB-CD1 3.7Å; D386-I479 HydrophobicContact CB-CG1 4.46Å; A397-I479 HydrophobicContact CB-CG2 4.3Å; V464-I479 HydrophobicContact CB-CG2 4.19Å; V464-I479 PolarHBondContact N-O 2.99Å; V464-I479 PolarHBondContact O-N 2.92Å
480K83.1Confident73Confident116 Ų11687.1 Ų87.150%0.50448%0.479SS..EExtended strand (participates in β ladder)trans-106.1118.3-179.6-68.1176.5-175.3169.40109.5I417I417-K480 HydrophobicContact CG2-CD 4.48Å
481L79.3Confident71.3Confident1 Ų190.1 Ų90.11%0.00550%0.498CS..EExtended strand (participates in β ladder)trans-87.3117173.7-63.9-178.6000109D386 F455 L458 T461 L462 V464D386-L481 HydrophobicContact CB-CD2 3.78Å; F455-L481 HydrophobicContact CD2-CD1 3.39Å; F455-L481 HydrophobicContact CE2-CD1 3.53Å; F455-L481 HydrophobicContact CG-CD1 4.17Å; F455-L481 HydrophobicContact CZ-CD1 4.4Å; L458-L481 HydrophobicContact CD1-CB 4.07Å; L458-L481 HydrophobicContact CD1-CD1 4.17Å; T461-L481 WeakPolarHBondContact CA-O 3.21Å; L462-L481 PolarHBondContact N-O 3.48Å; L462-L481 PolarHBondContact O-N 2.98Å; V464-L481 HydrophobicContact CG2-CD1 3.69Å; V464-L481 HydrophobicContact CG2-CG 4.11Å
482V70.4Confident70.1Confident79 Ų7986.7 Ų86.748%0.47949%0.488SS..PPolyproline II helixtrans-93.2128.5-174.1-1770000110.5Q395 T461Q395-V482 PolarHBondContact NE2-O 2.81Å; T461-V482 HydrophobicContact CG2-CG1 4.16Å
483S63.9Low68.7Low36 Ų3686.7 Ų86.725%0.25250%0.498SS..PPolyproline II helixtrans-84.3128.3170.5-176.50000109.2L458 G485L458-S483 PolarHBondContact O-OG 2.82Å; S483-G485 PolarHBondContact O-N 3.33Å
484N55.3Low67.5Low149 Ų14988.3 Ų88.380%0.79751%0.509SS*.  trans-71.488.1179.4-79.4-4.4000110.9
485G53.6Low66.2Low45 Ų4587.2 Ų87.246%0.46450%0.5SS..PPolyproline II helixtrans-99.8152.2163.800000111.5S483 H487S483-G485 PolarHBondContact O-N 3.33Å; G485-H487 PolarHBondContact O-N 3.35Å
486P49.7Very low65.2Low132 Ų13288.8 Ų88.886%0.85751%0.509SS*.PPolyproline II helixtrans-75.6119.6-178.230.9-30.8000109.8
487H48.2Very low64.3Low171 Ų17192.7 Ų92.779%0.79253%0.526SS*.PPolyproline II helixtrans-101.9141.5170.6-82.1-59000111.4G485G485-H487 PolarHBondContact O-N 3.35Å
488P52.2Low63.9Low91 Ų9191.2 Ų91.259%0.59153%0.531SS*.PPolyproline II helixtrans-83.3138.7176.833.2-30.5000110.7L490 T491P488-L490 PolarHBondContact O-N 3.32Å; P488-T491 PolarHBondContact O-OG1 3.4Å
489E53.4Low63.4Low178 Ų17892 Ų9283%0.83254%0.537SS*.THydrogen-bonded Turntrans-58.8-3-171-62.4180152.800116.2
490L51.9Low63Low154 Ų15495.6 Ų95.681%0.80656%0.556SS**Hα-helixtrans-81-22.4-174.8-132.179.2000114.4P488P488-L490 PolarHBondContact O-N 3.32Å
491T54.8Low63.1Low88 Ų8893.9 Ų93.954%0.5456%0.555SS.*Hα-helixtrans-79.4-27179.647.60000112.9P488 A495P488-T491 PolarHBondContact O-OG1 3.4Å; T491-A495 WeakPolarHBondContact O-CB 3.33Å; T491-A495 PolarHBondContact O-N 3.17Å
492V58.2Low63.1Low96 Ų9698.1 Ų98.158%0.58258%0.577SS**Hα-helixtrans-70-40.7-179.5-177.70000110.5A494 A495 V496V492-A494 PolarHBondContact O-N 3.34Å; V492-A495 PolarHBondContact O-N 2.95Å; V492-V496 HydrophobicContact CG1-CG2 4.47Å; V492-V496 WeakPolarHBondContact O-CG2 3.41Å; V492-V496 PolarHBondContact O-N 2.84Å
493A56.1Low63.6Low64 Ų6497.8 Ų97.853%0.52958%0.575SS.*Hα-helixtrans-66.4-38.4178.500000113L497A493-L497 PolarHBondContact O-N 2.83Å
494A58.6Low64.5Low58 Ų58100.3 Ų100.348%0.47959%0.585SS.*Hα-helixtrans-71.7-36.8176.400000112.3V492 L497 V498V492-A494 PolarHBondContact O-N 3.34Å; A494-L497 PolarHBondContact O-N 2.85Å; A494-V498 WeakPolarHBondContact O-CG2 3.28Å; A494-V498 PolarHBondContact O-N 2.04Å
495A60.8Low65.8Low50 Ų5097.7 Ų97.741%0.41357%0.57SS.*Hα-helixtrans-67.1-38.2176.600000112.3T491 V492 L497 V498 L499T491-A495 WeakPolarHBondContact O-CB 3.33Å; T491-A495 PolarHBondContact O-N 3.17Å; V492-A495 PolarHBondContact O-N 2.95Å; A495-L497 VanDerWaalsContact C-N 3.34Å; A495-L497 PolarHBondContact O-N 2.86Å; A495-V498 PolarHBondContact O-N 2.93Å; A495-L499 WeakPolarHBondContact O-CB 3.39Å; A495-L499 PolarHBondContact O-N 3.18Å
496V70.1Confident66.8Low81 Ų8198.1 Ų98.149%0.49157%0.566SS.*Hα-helixtrans-64-39.4176.6170.80000111.4V492 L499 L500V492-V496 HydrophobicContact CG1-CG2 4.47Å; V492-V496 WeakPolarHBondContact O-CG2 3.41Å; V492-V496 PolarHBondContact O-N 2.84Å; V496-L499 PolarHBondContact O-N 3.41Å; V496-L500 WeakPolarHBondContact O-CB 3.43Å; V496-L500 PolarHBondContact O-N 2.96Å
497L70.4Confident68.2Low122 Ų12296.5 Ų96.564%0.63955%0.549SS*.Hα-helixtrans-66.9-39.4177.2-115.1157.4000112.4A493 A494 A495 V501A493-L497 PolarHBondContact O-N 2.83Å; A494-L497 PolarHBondContact O-N 2.85Å; A495-L497 VanDerWaalsContact C-N 3.34Å; A495-L497 PolarHBondContact O-N 2.86Å; L497-V501 WeakPolarHBondContact O-CG2 3.44Å; L497-V501 PolarHBondContact O-N 3.49Å
498V78.1Confident69.7Low90 Ų9093.1 Ų93.155%0.54554%0.536SS..Hα-helixtrans-71.2-38.8176.1174.30000111.6A494 A495 L500 V501 I502A494-V498 WeakPolarHBondContact O-CG2 3.28Å; A494-V498 PolarHBondContact O-N 2.04Å; A495-V498 PolarHBondContact O-N 2.93Å; V498-L500 VanDerWaalsContact C-N 3.32Å; V498-L500 PolarHBondContact O-N 2.77Å; V498-V501 PolarHBondContact O-N 3.49Å; V498-I502 HydrophobicContact CG1-CD1 3.87Å; V498-I502 HydrophobicContact CG1-CG1 4.49Å; V498-I502 WeakPolarHBondContact O-CG1 3.39Å; V498-I502 PolarHBondContact O-N 3.39Å
499L76.6Confident70.8Confident106 Ų10692.1 Ų92.156%0.55553%0.528SS*.Hα-helixtrans-62.2-39.3174.5-108.1150000111.9A495 V496 V501 I502 V503A495-L499 WeakPolarHBondContact O-CB 3.39Å; A495-L499 PolarHBondContact O-N 3.18Å; V496-L499 PolarHBondContact O-N 3.41Å; L499-V501 PolarHBondContact O-N 2.92Å; L499-I502 PolarHBondContact O-N 3.39Å; L499-V503 WeakPolarHBondContact O-CB 3.42Å; L499-V503 WeakPolarHBondContact O-CG2 3.09Å; L499-V503 PolarHBondContact O-N 3.47Å
500L79.3Confident71.7Confident101 Ų10188.3 Ų88.353%0.52951%0.513SS..Hα-helixtrans-61.3-42.8175.9-113.4154.9000112V496 V498 V503 I504V496-L500 WeakPolarHBondContact O-CB 3.43Å; V496-L500 PolarHBondContact O-N 2.96Å; V498-L500 VanDerWaalsContact C-N 3.32Å; V498-L500 PolarHBondContact O-N 2.77Å; L500-V503 PolarHBondContact O-N 3.15Å; L500-I504 HydrophobicContact CD2-CD1 4.32Å; L500-I504 WeakPolarHBondContact O-CD1 3.37Å; L500-I504 VanDerWaalsContact O-CG1 3.25Å; L500-I504 WeakPolarHBondContact O-CG1 3.25Å; L500-I504 PolarHBondContact O-N 3.24Å
501V83.3Confident72.6Confident79 Ų7985.1 Ų85.148%0.47950%0.5SS..Hα-helixtrans-66.6-41.5176.3176.20000111.3L497 V498 L499 I504 I505L497-V501 WeakPolarHBondContact O-CG2 3.44Å; L497-V501 PolarHBondContact O-N 3.49Å; V498-V501 PolarHBondContact O-N 3.49Å; L499-V501 PolarHBondContact O-N 2.92Å; V501-I504 PolarHBondContact O-N 2.89Å; V501-I505 HydrophobicContact CG1-CD1 3.85Å; V501-I505 HydrophobicContact CG1-CG1 4.48Å; V501-I505 VanDerWaalsContact O-CG1 3.32Å; V501-I505 WeakPolarHBondContact O-CG1 3.26Å; V501-I505 PolarHBondContact O-N 2.94Å
502I81.3Confident73.2Confident91 Ų9184.4 Ų84.447%0.46750%0.495SS..Hα-helixtrans-66.1-37.9177.3-67.8168.9000111.3V498 L499 I505 S506V498-I502 HydrophobicContact CG1-CD1 3.87Å; V498-I502 HydrophobicContact CG1-CG1 4.49Å; V498-I502 WeakPolarHBondContact O-CG1 3.39Å; V498-I502 PolarHBondContact O-N 3.39Å; L499-I502 PolarHBondContact O-N 3.39Å; I502-I505 PolarHBondContact O-N 3.32Å; I502-S506 WeakPolarHBondContact O-CB 3.33Å; I502-S506 PolarHBondContact O-N 3.47Å; I502-S506 PolarHBondContact O-OG 2.84Å
503V80.6Confident73.3Confident72 Ų7284 Ų8444%0.43649%0.488SS..Hα-helixtrans-66.9-41.3176.2169.10000110.8L499 L500 S506 L507L499-V503 WeakPolarHBondContact O-CB 3.42Å; L499-V503 WeakPolarHBondContact O-CG2 3.09Å; L499-V503 PolarHBondContact O-N 3.47Å; L500-V503 PolarHBondContact O-N 3.15Å; V503-S506 PolarHBondContact O-N 3.23Å; V503-L507 HydrophobicContact CG1-CD1 3.91Å; V503-L507 VanDerWaalsContact O-CB 3.31Å; V503-L507 WeakPolarHBondContact O-CB 3.45Å; V503-L507 WeakPolarHBondContact O-CG 3.31Å; V503-L507 PolarHBondContact O-N 3.35Å
504I81.9Confident73.1Confident89 Ų8989.8 Ų89.846%0.45650%0.497SS..Hα-helixtrans-64.9-45.1175.6-68165.5000110.8L500 V501 S506 L507 I508L500-I504 HydrophobicContact CD2-CD1 4.32Å; L500-I504 WeakPolarHBondContact O-CD1 3.37Å; L500-I504 VanDerWaalsContact O-CG1 3.25Å; L500-I504 WeakPolarHBondContact O-CG1 3.25Å; L500-I504 PolarHBondContact O-N 3.24Å; V501-I504 PolarHBondContact O-N 2.89Å; I504-S506 VanDerWaalsContact C-N 3.35Å; I504-L507 PolarHBondContact O-N 2.92Å; I504-I508 HydrophobicContact CG2-CD1 3.95Å; I504-I508 VanDerWaalsContact O-CG1 3.27Å; I504-I508 WeakPolarHBondContact O-CG1 3.44Å; I504-I508 PolarHBondContact O-N 3.15Å
505I81.9Confident72.9Confident94 Ų9494.9 Ų94.948%0.48251%0.508SS..Hα-helixtrans-64.9-40.8176-68171.3000110.7V501 I502 L507 I508 V509V501-I505 HydrophobicContact CG1-CD1 3.85Å; V501-I505 HydrophobicContact CG1-CG1 4.48Å; V501-I505 VanDerWaalsContact O-CG1 3.32Å; V501-I505 WeakPolarHBondContact O-CG1 3.26Å; V501-I505 PolarHBondContact O-N 2.94Å; I502-I505 PolarHBondContact O-N 3.32Å; I505-L507 VanDerWaalsContact C-N 3.34Å; I505-L507 PolarHBondContact O-N 3.33Å; I505-I508 PolarHBondContact O-N 3.4Å; I505-V509 HydrophobicContact CG2-CG2 4.29Å; I505-V509 WeakPolarHBondContact O-CB 3.47Å; I505-V509 VanDerWaalsContact O-CG2 3.26Å; I505-V509 WeakPolarHBondContact O-CG2 3.31Å; I505-V509 PolarHBondContact O-N 3.02Å
506S76.4Confident72.1Confident54 Ų5499.2 Ų99.238%0.37852%0.52SS..Hα-helixtrans-66.5-35.5176.8-61.40000111.8I502 V503 I504 L510I502-S506 WeakPolarHBondContact O-CB 3.33Å; I502-S506 PolarHBondContact O-N 3.47Å; I502-S506 PolarHBondContact O-OG 2.84Å; V503-S506 PolarHBondContact O-N 3.23Å; I504-S506 VanDerWaalsContact C-N 3.35Å; S506-L510 WeakPolarHBondContact O-CB 3.29Å; S506-L510 WeakPolarHBondContact O-CD1 3.47Å; S506-L510 VanDerWaalsContact O-CG 3.26Å; S506-L510 WeakPolarHBondContact O-CG 3.23Å; S506-L510 PolarHBondContact O-N 3.49Å
507L77.8Confident71.1Confident98 Ų98100.7 Ų100.751%0.51352%0.519SS..Hα-helixtrans-66.9-42.3171.9-84.6162000111.4V503 I504 I505 L510 V511V503-L507 HydrophobicContact CG1-CD1 3.91Å; V503-L507 VanDerWaalsContact O-CB 3.31Å; V503-L507 WeakPolarHBondContact O-CB 3.45Å; V503-L507 WeakPolarHBondContact O-CG 3.31Å; V503-L507 PolarHBondContact O-N 3.35Å; I504-L507 PolarHBondContact O-N 2.92Å; I505-L507 VanDerWaalsContact C-N 3.34Å; I505-L507 PolarHBondContact O-N 3.33Å; L507-L510 PolarHBondContact O-N 3.38Å; L507-V511 WeakPolarHBondContact O-CB 3.03Å; L507-V511 WeakPolarHBondContact O-CG2 3.49Å; L507-V511 PolarHBondContact O-N 3.2Å
508I79.6Confident70Confident99 Ų9996.7 Ų96.751%0.50850%0.501SS..Hα-helixtrans-64-44.7174.9-67.9165.3000110.4I504 I505 V511 V512I504-I508 HydrophobicContact CG2-CD1 3.95Å; I504-I508 VanDerWaalsContact O-CG1 3.27Å; I504-I508 WeakPolarHBondContact O-CG1 3.44Å; I504-I508 PolarHBondContact O-N 3.15Å; I505-I508 PolarHBondContact O-N 3.4Å; I508-V511 PolarHBondContact O-N 3.38Å; I508-V512 HydrophobicContact CG2-CG2 4.48Å; I508-V512 WeakPolarHBondContact O-CB 3.49Å; I508-V512 VanDerWaalsContact O-CG2 3.25Å; I508-V512 WeakPolarHBondContact O-CG2 3.3Å; I508-V512 PolarHBondContact O-N 2.66Å
509V76.5Confident68.8Low71 Ų71101.1 Ų101.143%0.4351%0.508SS..Hα-helixtrans-64.9-42.1175.9170.20000110.8I505 V511 V512 I513I505-V509 HydrophobicContact CG2-CG2 4.29Å; I505-V509 WeakPolarHBondContact O-CB 3.47Å; I505-V509 VanDerWaalsContact O-CG2 3.26Å; I505-V509 WeakPolarHBondContact O-CG2 3.31Å; I505-V509 PolarHBondContact O-N 3.02Å; V509-V511 VanDerWaalsContact C-N 3.33Å; V509-V511 PolarHBondContact O-N 3.31Å; V509-V512 PolarHBondContact O-N 2.77Å; V509-I513 HydrophobicContact CG1-CD1 3.59Å; V509-I513 HydrophobicContact CG1-CG1 4.2Å; V509-I513 WeakPolarHBondContact O-CB 3.46Å; V509-I513 WeakPolarHBondContact O-CG1 3.33Å; V509-I513 PolarHBondContact O-N 2.91Å
510L70.8Confident67.5Low98 Ų9896.8 Ų96.851%0.51348%0.484SS..Hα-helixtrans-61.6-40.8173.8-86.2163.6000111.4S506 L507 I513 W514S506-L510 WeakPolarHBondContact O-CB 3.29Å; S506-L510 WeakPolarHBondContact O-CD1 3.47Å; S506-L510 VanDerWaalsContact O-CG 3.26Å; S506-L510 WeakPolarHBondContact O-CG 3.23Å; S506-L510 PolarHBondContact O-N 3.49Å; L507-L510 PolarHBondContact O-N 3.38Å; L510-I513 PolarHBondContact O-N 3.44Å; L510-W514 WeakPolarHBondContact O-CB 3.07Å; L510-W514 PolarHBondContact O-N 3.19Å
511V71.6Confident66.3Low87 Ų8797 Ų9753%0.52748%0.483SS..Hα-helixtrans-67.2-38.4175.3168.10000111.2L507 I508 V509 W514 K515L507-V511 WeakPolarHBondContact O-CB 3.03Å; L507-V511 WeakPolarHBondContact O-CG2 3.49Å; L507-V511 PolarHBondContact O-N 3.2Å; I508-V511 PolarHBondContact O-N 3.38Å; V509-V511 VanDerWaalsContact C-N 3.33Å; V509-V511 PolarHBondContact O-N 3.31Å; V511-W514 PolarHBondContact O-N 3.45Å; V511-K515 WeakPolarHBondContact O-CB 3.47Å; V511-K515 PolarHBondContact O-N 3.12Å
512V67.9Low64.9Low72 Ų7294.1 Ų94.144%0.43646%0.464SS..Hα-helixtrans-67.7-44.6174.51700000110.9I508 V509 W514 K515 Q516I508-V512 HydrophobicContact CG2-CG2 4.48Å; I508-V512 WeakPolarHBondContact O-CB 3.49Å; I508-V512 VanDerWaalsContact O-CG2 3.25Å; I508-V512 WeakPolarHBondContact O-CG2 3.3Å; I508-V512 PolarHBondContact O-N 2.66Å; V509-V512 PolarHBondContact O-N 2.77Å; V512-W514 VanDerWaalsContact C-N 3.33Å; V512-K515 CarbonylContact O-C 3.32Å; V512-K515 PolarHBondContact O-N 2.88Å; V512-Q516 WeakPolarHBondContact O-CB 3.48Å; V512-Q516 WeakPolarHBondContact O-CG 3.39Å; V512-Q516 PolarHBondContact O-N 3.41Å
513I59.6Low63.9Low87 Ų8791.2 Ų91.245%0.44645%0.447SS..Hα-helixtrans-65.3-36.9174.2-67.9171.3000110.6V509 L510 Q516 K517V509-I513 HydrophobicContact CG1-CD1 3.59Å; V509-I513 HydrophobicContact CG1-CG1 4.2Å; V509-I513 WeakPolarHBondContact O-CB 3.46Å; V509-I513 WeakPolarHBondContact O-CG1 3.33Å; V509-I513 PolarHBondContact O-N 2.91Å; L510-I513 PolarHBondContact O-N 3.44Å; I513-Q516 PolarHBondContact O-N 3.3Å; I513-K517 PolarHBondContact O-N 3.48Å
514W53Low62.8Low186 Ų18688.6 Ų88.671%0.70543%0.43SS*.Hα-helixtrans-65.7-39.7173.3-112.556000112.1L510 V511 V512 Q516L510-W514 WeakPolarHBondContact O-CB 3.07Å; L510-W514 PolarHBondContact O-N 3.19Å; V511-W514 PolarHBondContact O-N 3.45Å; V512-W514 VanDerWaalsContact C-N 3.33Å; W514-Q516 VanDerWaalsContact C-N 3.34Å
515K52.5Low62.1Low166 Ų16687.5 Ų87.572%0.72242%0.42SS*.Hα-helixtrans-73-22.3174.1-87.6-150.5173.2-174.40113.5V511 V512V511-K515 WeakPolarHBondContact O-CB 3.47Å; V511-K515 PolarHBondContact O-N 3.12Å; V512-K515 CarbonylContact O-C 3.32Å; V512-K515 PolarHBondContact O-N 2.88Å
516Q45.7Very low61Low140 Ų14083.6 Ų83.665%0.65440%0.4SS*.Hα-helixtrans-87.3-7.7179.2-82.5-173.7-3.500114.8V512 I513 W514V512-Q516 WeakPolarHBondContact O-CB 3.48Å; V512-Q516 WeakPolarHBondContact O-CG 3.39Å; V512-Q516 PolarHBondContact O-N 3.41Å; I513-Q516 PolarHBondContact O-N 3.3Å; W514-Q516 VanDerWaalsContact C-N 3.34Å
517K48Very low60.5Low112 Ų11281.9 Ų81.949%0.48739%0.387SS..SBendtrans-65.7123.4173.6-77.4-169.5173.3-170.20110I513 R519I513-K517 PolarHBondContact O-N 3.48Å; K517-R519 PolarHBondContact O-N 2.8Å
518P48.2Very low59.5Low39 Ų3983.1 Ų83.125%0.25339%0.39SS..PPolyproline II helixtrans-60.5136.4-174.923.6-32.4000110.4M807 F819P518-M807 HydrophobicContact CG-SD 4.14Å; P518-F819 HydrophobicContact CB-CE2 4.24Å; P518-F819 HydrophobicContact CG-CE2 4.34Å
519R52.6Low58Low182 Ų18281 Ų8169%0.68738%0.384SS*.PPolyproline II helixtrans-94.4136177.1-66.6179.7179165.9-3.6108.7K517 E521K517-R519 PolarHBondContact O-N 2.8Å; R519-E521 PolarHBondContact O-N 3.15Å
520Y49Very low57.1Low16 Ų1681 Ų816%0.06338%0.384CS..PPolyproline II helixtrans-68.9122.2167.4179.2-106.4000109.1I522 F569 A605 L802Y520-I522 HydrophobicContact CE1-CG1 4.49Å; Y520-F569 HydrophobicContact CD2-CB 4.37Å; Y520-F569 AromaticContact CD2-CD2 3.57Å; Y520-F569 HydrophobicContact CD2-CD2 3.57Å; Y520-F569 HydrophobicContact CD2-CE2 4.11Å; Y520-F569 HydrophobicContact CD2-CG 4.09Å; Y520-F569 HydrophobicContact CG-CB 4.27Å; Y520-F569 HydrophobicContact CG-CD2 4.05Å; Y520-F569 HydrophobicContact CG-CG 4.12Å; Y520-A605 HydrophobicContact CD1-CB 3.44Å; Y520-A605 VanDerWaalsContact CD1-CB 3.44Å; Y520-A605 HydrophobicContact CE1-CB 3.65Å; Y520-L802 HydrophobicContact CD1-CD2 3.73Å; Y520-L802 HydrophobicContact CD2-CD2 3.97Å; Y520-L802 HydrophobicContact CE1-CD1 4.22Å; Y520-L802 HydrophobicContact CE1-CD2 3.41Å; Y520-L802 VanDerWaalsContact CE1-CD2 3.41Å; Y520-L802 HydrophobicContact CE1-CG 3.76Å; Y520-L802 HydrophobicContact CE2-CD2 3.66Å; Y520-L802 HydrophobicContact CE2-CG 3.77Å; Y520-L802 HydrophobicContact CG-CD2 4.04Å; Y520-L802 VanDerWaalsContact CZ-CD2 3.42Å; Y520-L802 WeakPolarHBondContact OH-CG 3.39Å
521E54Low55.9Low106 Ų10677.5 Ų77.550%0.49537%0.368SS..  trans-126.6134.9176.4-162.7-175163.600107.9R519 R525R519-E521 PolarHBondContact O-N 3.15Å; E521-R525 IonicContact OE1-CZ 2.76Å; E521-R525 IonicContact OE1-NH2 3.41Å; E521-R525 PolarHBondContact OE1-NH2 3.41Å
522I54.3Low54.5Low17 Ų1779.9 Ų79.99%0.08739%0.385CS..  trans-67.3142.3-177.7-55.1152.7000109.3Y520 W524 A605 I612Y520-I522 HydrophobicContact CE1-CG1 4.49Å; I522-W524 HydrophobicContact CG2-CB 4.41Å; I522-A605 HydrophobicContact CD1-CB 4.34Å; I522-A605 WeakPolarHBondContact CD1-O 3.37Å; I522-A605 HydrophobicContact CG1-CB 4.03Å; I522-A605 VanDerWaalsContact CG1-O 3.29Å; I522-A605 WeakPolarHBondContact CG1-O 3.24Å; I522-I612 HydrophobicContact CG2-CD1 4.14Å
523R60.9Low53.4Low30 Ų3082.6 Ų82.611%0.11340%0.397CS..SBendtrans-84-35-176.6-57.7-173.7159.5164.7-2.6111.8R780 D781 D799 Y812R523-R780 WeakPolarHBondContact O-CD 3.43Å; R523-R780 PolarHBondContact O-NH1 2.77Å; R523-D781 IonicContact CZ-OD2 2.66Å; R523-D781 IonicContact NE-OD2 2.68Å; R523-D781 VanDerWaalsContact NH1-CG 3.3Å; R523-D781 IonicContact NH1-OD1 2.66Å; R523-D781 IonicContact NH1-OD2 2.72Å; R523-D781 PolarHBondContact NH1-OD2 2.92Å; R523-D799 WeakPolarHBondContact CB-OD2 3.17Å; R523-D799 PolarHBondContact N-OD2 3.16Å; R523-Y812 PolarHBondContact NH1-OH 3.31Å
524W55.6Low53Low18 Ų1880.3 Ų80.37%0.06840%0.395CS..  trans-71.2133.7178.6-6616.3000111.6I522 I612 L616 I622 L772 V778 H779I522-W524 HydrophobicContact CG2-CB 4.41Å; W524-I612 HydrophobicContact CB-CD1 4.46Å; W524-I612 HydrophobicContact CB-CG2 4.34Å; W524-I612 HydrophobicContact CE3-CG2 3.99Å; W524-L616 HydrophobicContact CE3-CD1 3.5Å; W524-L616 HydrophobicContact CH2-CD1 4.49Å; W524-L616 HydrophobicContact CZ3-CD1 3.28Å; W524-I622 HydrophobicContact CH2-CG2 4.08Å; W524-L772 HydrophobicContact CH2-CD2 4.37Å; W524-L772 HydrophobicContact CZ3-CD2 4.21Å; W524-V778 WeakPolarHBondContact CA-O 3.47Å; W524-H779 AromaticContact CE2-CD2 3.58Å; W524-H779 AromaticContact CE2-NE2 3.8Å; W524-H779 AromaticContact CZ2-CD2 3.71Å; W524-H779 AromaticContact CZ2-NE2 3.83Å; W524-H779 AromaticContact NE1-CD2 3.1Å; W524-H779 PolarHBondContact NE1-CD2 3.5Å; W524-H779 AromaticContact NE1-CE1 3.81Å; W524-H779 AromaticContact NE1-CG 3.7Å; W524-H779 AromaticContact NE1-NE2 3.18Å; W524-H779 PolarHBondContact NE1-NE2 3.22Å; W524-H779 VanDerWaalsContact NE1-NE2 3.18Å
525R68.8Low52.8Low66 Ų6679.3 Ų79.325%0.24940%0.398CS..EExtended strand (participates in β ladder)trans-134.4135.5173.8-66.1-171.1173.9-171.50.2110.4E521 Y539 V778E521-R525 IonicContact OE1-CZ 2.76Å; E521-R525 IonicContact OE1-NH2 3.41Å; E521-R525 PolarHBondContact OE1-NH2 3.41Å; R525-Y539 HydrophobicContact CB-CD1 3.53Å; R525-Y539 HydrophobicContact CB-CE1 4.05Å; R525-Y539 HydrophobicContact CB-CG 4.24Å; R525-Y539 HydrophobicContact CG-CD1 4.29Å; R525-V778 PolarHBondContact N-O 3.2Å; R525-V778 PolarHBondContact O-N 2.81Å
526V58.7Low52.8Low11 Ų1177.9 Ų77.97%0.06739%0.393CS..EExtended strand (participates in β ladder)trans-94.1128.4174-1770000108.1Y539 V540 I612 N776V526-Y539 CarbonylContact O-C 3.46Å; V526-Y539 WeakPolarHBondContact O-CA 3.3Å; V526-V540 HydrophobicContact CB-CB 4.37Å; V526-V540 HydrophobicContact CB-CG2 4.26Å; V526-V540 HydrophobicContact CG1-CG2 4.11Å; V526-V540 PolarHBondContact O-N 2.87Å; V526-I612 HydrophobicContact CG2-CG2 4.48Å; V526-N776 WeakPolarHBondContact CA-O 3.45Å
527I66.1Low53.5Low19 Ų1973.7 Ų73.710%0.09737%0.372CS..EExtended strand (participates in β ladder)trans-84.4122178.2-59.5164.3000108.3V530 Y537 Y539 N776 V778I527-V530 HydrophobicContact CG2-CG2 4.33Å; I527-Y537 HydrophobicContact CD1-CD1 3.95Å; I527-Y537 HydrophobicContact CD1-CE1 4.41Å; I527-Y537 HydrophobicContact CG1-CD1 4.49Å; I527-Y537 HydrophobicContact CG2-CD1 4.09Å; I527-Y539 HydrophobicContact CG1-CD1 4.11Å; I527-Y539 HydrophobicContact CG1-CE1 4.08Å; I527-N776 HydrophobicContact CB-CB 4.3Å; I527-N776 PolarHBondContact N-O 3.19Å; I527-V778 HydrophobicContact CD1-CG2 3.61Å; I527-V778 HydrophobicContact CG1-CG2 4.2Å
528E55.3Low54.4Low124 Ų12472.4 Ų72.458%0.57937%0.369SS*.EExtended strand (participates in β ladder)trans-83.5-46.5179.3-165.1172.9179.100111.5I538 V540E528-I538 HydrophobicContact CB-CG2 4.47Å; E528-I538 PolarHBondContact N-O 2.98Å; E528-V540 HydrophobicContact CB-CG2 3.51Å; E528-V540 HydrophobicContact CG-CG2 3.9Å
529S49Very low55.3Low55 Ų5573.1 Ų73.139%0.38537%0.367SS..EExtended strand (participates in β ladder)trans-157.4156.3178.3570000111.5I538S529-I538 PolarHBondContact N-O 3.22Å; S529-I538 PolarHBondContact O-N 3.16Å
530V57.7Low56Low71 Ų7165.7 Ų65.743%0.4334%0.343SS..EExtended strand (participates in β ladder)trans-107.3134.8171.5-175.70000107.1I527 Y537I527-V530 HydrophobicContact CG2-CG2 4.33Å; V530-Y537 HydrophobicContact CG1-CE1 4.4Å; V530-Y537 HydrophobicContact CG2-CD1 3.83Å; V530-Y537 HydrophobicContact CG2-CE1 3.81Å
531S44.6Very low57Low24 Ų2468.6 Ų68.617%0.16836%0.359CS..  trans-56.7151.4176.269.10000110.8D533 G534 E536S531-D533 PolarHBondContact O-N 3.45Å; S531-G534 PolarHBondContact O-N 2.89Å; S531-E536 PolarHBondContact N-O 3.36Å; S531-E536 PolarHBondContact OG-N 2.94Å
532P43.4Very low57.6Low136 Ų13664.6 Ų64.688%0.88334%0.342SS*.THydrogen-bonded Turntrans-54.8-22.7179.3-24.833.6000113.7
533D43.7Very low58.2Low130 Ų13066.3 Ų66.370%0.69535%0.35SS*.THydrogen-bonded Turntrans-87.3-8-178.9-54.1-19.1000112.8S531 H535S531-D533 PolarHBondContact O-N 3.45Å; D533-H535 VanDerWaalsContact C-N 3.28Å; D533-H535 PolarHBondContact O-CE1 2.9Å; D533-H535 PolarHBondContact O-N 2.86Å; D533-H535 PolarHBondContact O-ND1 2.85Å
534G51.9Low58.8Low39 Ų3971.8 Ų71.840%0.40238%0.378SS..SBendtrans77.4-1.5176.800000116.2S531S531-G534 PolarHBondContact O-N 2.89Å
535H48.6Very low59.9Low165 Ų16572.2 Ų72.276%0.76438%0.381SS*.SBendtrans-105.3-5.2-170.8-65.491.9000114.6D533D533-H535 VanDerWaalsContact C-N 3.28Å; D533-H535 PolarHBondContact O-CE1 2.9Å; D533-H535 PolarHBondContact O-N 2.86Å; D533-H535 PolarHBondContact O-ND1 2.85Å
536E52.1Low60.3Low136 Ų13674.4 Ų74.464%0.63640%0.404SS*.  trans-132.4124.3-180-165.2171.6-161.900110.7S531S531-E536 PolarHBondContact N-O 3.36Å; S531-E536 PolarHBondContact OG-N 2.94Å
537Y62.1Low61.4Low51 Ų5176.5 Ų76.520%0.241%0.411CS..EExtended strand (participates in β ladder)trans-105120-178.6-68.1-100000109I527 V530 L834 T836I527-Y537 HydrophobicContact CD1-CD1 3.95Å; I527-Y537 HydrophobicContact CD1-CE1 4.41Å; I527-Y537 HydrophobicContact CG1-CD1 4.49Å; I527-Y537 HydrophobicContact CG2-CD1 4.09Å; V530-Y537 HydrophobicContact CG1-CE1 4.4Å; V530-Y537 HydrophobicContact CG2-CD1 3.83Å; V530-Y537 HydrophobicContact CG2-CE1 3.81Å; Y537-L834 HydrophobicContact CD2-CD1 3.66Å; Y537-L834 HydrophobicContact CE2-CD1 3.92Å; Y537-T836 HydrophobicContact CD1-CG2 4.48Å; Y537-T836 HydrophobicContact CD2-CG2 4.22Å; Y537-T836 HydrophobicContact CE1-CG2 3.93Å; Y537-T836 HydrophobicContact CE2-CG2 3.64Å; Y537-T836 VanDerWaalsContact CZ-CG2 3.48Å
538I66.4Low62.2Low85 Ų8577.7 Ų77.744%0.43642%0.417SS..EExtended strand (participates in β ladder)trans-91.2118175.1-58.3178.5000107.6E528 S529E528-I538 HydrophobicContact CB-CG2 4.47Å; E528-I538 PolarHBondContact N-O 2.98Å; S529-I538 PolarHBondContact N-O 3.22Å; S529-I538 PolarHBondContact O-N 3.16Å
539Y66.9Low63.5Low54 Ų5475.4 Ų75.421%0.21242%0.415CS..EExtended strand (participates in β ladder)trans-91.6137.3177.6-55.7-82.8000110R525 V526 I527 D541 Y835R525-Y539 HydrophobicContact CB-CD1 3.53Å; R525-Y539 HydrophobicContact CB-CE1 4.05Å; R525-Y539 HydrophobicContact CB-CG 4.24Å; R525-Y539 HydrophobicContact CG-CD1 4.29Å; V526-Y539 CarbonylContact O-C 3.46Å; V526-Y539 WeakPolarHBondContact O-CA 3.3Å; I527-Y539 HydrophobicContact CG1-CD1 4.11Å; I527-Y539 HydrophobicContact CG1-CE1 4.08Å; Y539-D541 PolarHBondContact O-N 2.83Å; Y539-Y835 PolarHBondContact OH-O 3.28Å
540V67Low65.3Low27 Ų2776.7 Ų76.716%0.16441%0.412CS..PPolyproline II helixtrans-61.3126.9171.3-177.60000108.1V526 E528 P542 L545V526-V540 HydrophobicContact CB-CB 4.37Å; V526-V540 HydrophobicContact CB-CG2 4.26Å; V526-V540 HydrophobicContact CG1-CG2 4.11Å; V526-V540 PolarHBondContact O-N 2.87Å; E528-V540 HydrophobicContact CB-CG2 3.51Å; E528-V540 HydrophobicContact CG-CG2 3.9Å; V540-P542 WeakPolarHBondContact O-CD 3.34Å; V540-L545 HydrophobicContact CG1-CD2 4.17Å; V540-L545 HydrophobicContact CG1-CG 4.19Å
541D69.3Low66.8Low76 Ų7673.8 Ų73.841%0.40639%0.393SS..  trans-68.7111.7166.4179.61.8000108.3Y539 M543 Q544Y539-D541 PolarHBondContact O-N 2.83Å; D541-M543 PolarHBondContact O-N 2.8Å; D541-M543 WeakPolarHBondContact OD1-CB 3.32Å; D541-M543 PolarHBondContact OD1-N 3.06Å; D541-M543 VanDerWaalsContact OD1-N 3.08Å; D541-Q544 HydrophobicContact CB-CG 4.08Å; D541-Q544 WeakPolarHBondContact O-CB 3.48Å; D541-Q544 PolarHBondContact O-N 3.36Å
542P66.9Low69Low23 Ų2374.6 Ų74.615%0.14939%0.394CS..G310 helixtrans-64.2-15.3-174.8-15.529000112.6V540 Q544 L545 K611 I612V540-P542 WeakPolarHBondContact O-CD 3.34Å; P542-Q544 PolarHBondContact O-N 2.86Å; P542-L545 HydrophobicContact CB-CD1 4.41Å; P542-L545 WeakPolarHBondContact O-CB 3.38Å; P542-L545 PolarHBondContact O-N 3.42Å; P542-K611 WeakPolarHBondContact O-CD 3.46Å; P542-I612 HydrophobicContact CB-CD1 4.05Å; P542-I612 HydrophobicContact CB-CG1 4Å; P542-I612 HydrophobicContact CG-CD1 3.86Å; P542-I612 HydrophobicContact CG-CG1 4.25Å
543M67.9Low71.3Confident52 Ų5268.3 Ų68.326%0.25635%0.353SS..G310 helixtrans-63.8-27.7171.6-76.4-74.3107.100113.6D541 L545 Q604 M607 S608 K611D541-M543 PolarHBondContact O-N 2.8Å; D541-M543 WeakPolarHBondContact OD1-CB 3.32Å; D541-M543 PolarHBondContact OD1-N 3.06Å; D541-M543 VanDerWaalsContact OD1-N 3.08Å; M543-L545 VanDerWaalsContact C-N 3.32Å; M543-Q604 HydrophobicContact CE-CG 3.61Å; M543-Q604 WeakPolarHBondContact CE-O 3.47Å; M543-Q604 HydrophobicContact CG-CG 4.09Å; M543-Q604 VanDerWaalsContact CG-NE2 3.27Å; M543-Q604 HydrophobicContact SD-CG 3.32Å; M543-Q604 WeakPolarHBondContact SD-CG 3.43Å; M543-Q604 PolarHBondContact SD-NE2 2.83Å; M543-M607 HydrophobicContact CE-CB 4.33Å; M543-S608 WeakPolarHBondContact CE-OG 3.43Å; M543-K611 PolarHBondContact O-NZ 3.12Å
544Q73.9Confident73.5Confident146 Ų14664.5 Ų64.568%0.68234%0.335SS*.G310 helixtrans-81.2-14.7179.5-58.1-177.424.800112.5D541 P542D541-Q544 HydrophobicContact CB-CG 4.08Å; D541-Q544 WeakPolarHBondContact O-CB 3.48Å; D541-Q544 PolarHBondContact O-N 3.36Å; P542-Q544 PolarHBondContact O-N 2.86Å
545L77.3Confident75.3Confident27 Ų2765.6 Ų65.614%0.14133%0.327CS..SBendtrans-69.4136.1174.6-66173000110.6V540 P542 M543 K611 H615V540-L545 HydrophobicContact CG1-CD2 4.17Å; V540-L545 HydrophobicContact CG1-CG 4.19Å; P542-L545 HydrophobicContact CB-CD1 4.41Å; P542-L545 WeakPolarHBondContact O-CB 3.38Å; P542-L545 PolarHBondContact O-N 3.42Å; M543-L545 VanDerWaalsContact C-N 3.32Å; L545-K611 HydrophobicContact CB-CB 4.08Å; L545-K611 HydrophobicContact CB-CD 4.26Å; L545-K611 HydrophobicContact CD1-CB 4.44Å; L545-K611 VanDerWaalsContact O-CD 3.24Å; L545-K611 WeakPolarHBondContact O-CD 3.43Å; L545-K611 WeakPolarHBondContact O-CE 3.27Å; L545-K611 PolarHBondContact O-NZ 3.09Å; L545-H615 HydrophobicContact CD1-CB 4.44Å
546P77.3Confident77.1Confident112 Ų11264 Ų6473%0.72732%0.324SS*.PPolyproline II helixtrans-70.4142.7175.328.6-33.2000110.8
547Y82.3Confident78.9Confident54 Ų5462.2 Ų62.221%0.21231%0.312CS..PPolyproline II helixtrans-92.6125.3168.4173.3-113.2000109.5W551 E552 M607 L610 T630Y547-W551 HydrophobicContact CE2-CB 4.12Å; Y547-E552 PolarHBondContact OH-N 2.88Å; Y547-E552 PolarHBondContact OH-OE2 2.99Å; Y547-M607 HydrophobicContact CD1-CE 3.91Å; Y547-M607 HydrophobicContact CD2-CE 3.67Å; Y547-M607 HydrophobicContact CE1-CE 4.44Å; Y547-M607 HydrophobicContact CE2-CE 4.25Å; Y547-M607 HydrophobicContact CG-CE 3.49Å; Y547-M607 VanDerWaalsContact CG-CE 3.49Å; Y547-L610 HydrophobicContact CD2-CD2 3.94Å; Y547-L610 HydrophobicContact CD2-CG 4.09Å; Y547-L610 HydrophobicContact CE2-CD1 4.29Å; Y547-L610 HydrophobicContact CE2-CD2 3.48Å; Y547-L610 VanDerWaalsContact CE2-CD2 3.48Å; Y547-L610 HydrophobicContact CE2-CG 3.84Å; Y547-T630 HydrophobicContact CE1-CG2 4.06Å
548D82.2Confident80.2Confident44 Ų4460.5 Ų60.524%0.23531%0.306CS..PPolyproline II helixtrans-89.7119.4178.9177.93.8000111.6R550 W551D548-R550 PolarHBondContact O-N 3.48Å; D548-R550 VanDerWaalsContact O-N 3.11Å; D548-R550 WeakPolarHBondContact OD1-CB 3.25Å; D548-R550 WeakPolarHBondContact OD1-CG 3.34Å; D548-R550 PolarHBondContact OD1-N 3.35Å; D548-R550 IonicContact OD1-NE 3.79Å; D548-R550 PolarHBondContact OD1-NE 3.45Å; D548-R550 IonicContact OD2-CZ 2.8Å; D548-R550 IonicContact OD2-NE 3.32Å; D548-R550 PolarHBondContact OD2-NE 3.38Å; D548-R550 IonicContact OD2-NH2 3.63Å; D548-R550 PolarHBondContact OD2-NH2 3.45Å; D548-W551 PolarHBondContact O-N 3.25Å
549S83.8Confident81.4Confident77 Ų7760.2 Ų60.254%0.53831%0.308SS..G310 helixtrans-64.1-12-179.468.30000115W551 E552S549-W551 PolarHBondContact O-N 3.23Å; S549-E552 WeakPolarHBondContact O-CB 3.45Å; S549-E552 PolarHBondContact O-N 2.98Å
550R85.5Confident82.4Confident82 Ų8260.7 Ų60.731%0.30931%0.314SS..G310 helixtrans-63.1-23.5172.1-68.9-175.7-62.9-175.9-2.1113.1D548 E552 E946D548-R550 PolarHBondContact O-N 3.48Å; D548-R550 VanDerWaalsContact O-N 3.11Å; D548-R550 WeakPolarHBondContact OD1-CB 3.25Å; D548-R550 WeakPolarHBondContact OD1-CG 3.34Å; D548-R550 PolarHBondContact OD1-N 3.35Å; D548-R550 IonicContact OD1-NE 3.79Å; D548-R550 PolarHBondContact OD1-NE 3.45Å; D548-R550 IonicContact OD2-CZ 2.8Å; D548-R550 IonicContact OD2-NE 3.32Å; D548-R550 PolarHBondContact OD2-NE 3.38Å; D548-R550 IonicContact OD2-NH2 3.63Å; D548-R550 PolarHBondContact OD2-NH2 3.45Å; R550-E552 VanDerWaalsContact C-N 3.25Å; R550-E946 IonicContact CZ-OE1 2.65Å; R550-E946 IonicContact NH1-OE1 3.74Å; R550-E946 IonicContact NH2-OE1 3.93Å; R550-E946 PolarHBondContact NH2-OE1 3.04Å
551W89.5Confident83.3Confident10 Ų1061.7 Ų61.74%0.03833%0.329CS..G310 helixtrans-78.6-9.7174.1-65.597.2000112.7Y547 D548 S549 F553 T614 L625 G627 A628 R942 V943Y547-W551 HydrophobicContact CE2-CB 4.12Å; D548-W551 PolarHBondContact O-N 3.25Å; S549-W551 PolarHBondContact O-N 3.23Å; W551-F553 PolarHBondContact O-N 2.74Å; W551-T614 VanDerWaalsContact CD1-CG2 3.45Å; W551-T614 HydrophobicContact CD2-CG2 4.1Å; W551-T614 HydrophobicContact CG-CG2 3.82Å; W551-L625 HydrophobicContact CD2-CD2 3.62Å; W551-L625 HydrophobicContact CD2-CG 4.27Å; W551-L625 HydrophobicContact CE3-CB 4.43Å; W551-L625 HydrophobicContact CE3-CD2 3.51Å; W551-L625 HydrophobicContact CE3-CG 3.63Å; W551-L625 HydrophobicContact CG-CD2 4.15Å; W551-L625 HydrophobicContact CH2-CB 4.34Å; W551-L625 HydrophobicContact CH2-CD2 4.24Å; W551-L625 HydrophobicContact CH2-CG 4.38Å; W551-L625 HydrophobicContact CZ2-CD2 4.35Å; W551-L625 HydrophobicContact CZ3-CB 4.01Å; W551-L625 HydrophobicContact CZ3-CD2 3.86Å; W551-L625 HydrophobicContact CZ3-CG 3.71Å; W551-L625 WeakPolarHBondContact CZ3-O 3.42Å; W551-G627 CarbonylContact O-C 3.6Å; W551-G627 VanDerWaalsContact O-CA 3.28Å; W551-G627 WeakPolarHBondContact O-CA 3.33Å; W551-A628 PolarHBondContact O-N 3.14Å; W551-R942 HydrophobicContact CH2-CB 4.16Å; W551-R942 HydrophobicContact CZ2-CB 4.27Å; W551-R942 HydrophobicContact CZ3-CB 4.29Å; W551-V943 HydrophobicContact CH2-CG2 4.22Å; W551-V943 HydrophobicContact CZ2-CG2 3.75Å
552E92.3Very high84Confident41 Ų4164.7 Ų64.719%0.19234%0.335CS..BIsolated β-bridgetrans-67.7124.9-179.5-165.372.2-165.200111Y547 S549 R550 A628 T630 K631Y547-E552 PolarHBondContact OH-N 2.88Å; Y547-E552 PolarHBondContact OH-OE2 2.99Å; S549-E552 WeakPolarHBondContact O-CB 3.45Å; S549-E552 PolarHBondContact O-N 2.98Å; R550-E552 VanDerWaalsContact C-N 3.25Å; E552-A628 CarbonylContact C-O 3.45Å; E552-A628 VanDerWaalsContact CA-O 3.29Å; E552-A628 WeakPolarHBondContact CA-O 3.43Å; E552-T630 PolarHBondContact OE1-N 2.79Å; E552-T630 PolarHBondContact OE2-N 2.76Å; E552-T630 PolarHBondContact OE2-OG1 2.72Å; E552-K631 HydrophobicContact CG-CD 3.97Å; E552-K631 HydrophobicContact CG-CG 4.31Å; E552-K631 PolarHBondContact OE1-N 3.49Å; E552-K631 VanDerWaalsContact OE1-N 3.08Å
553F91.5Very high84.8Confident4 Ų465.1 Ų65.12%0.01834%0.335CS..  trans-115.6133.5178.9-173.8-103.9000110.9W551 R555 R557 L558 A577 Y578 L580 A628 C629 I638W551-F553 PolarHBondContact O-N 2.74Å; F553-R555 PolarHBondContact O-N 3.47Å; F553-R557 HydrophobicContact CE1-CB 3.88Å; F553-R557 HydrophobicContact CZ-CB 3.68Å; F553-L558 HydrophobicContact CD1-CB 4.39Å; F553-L558 HydrophobicContact CE1-CB 4.03Å; F553-A577 HydrophobicContact CE1-CB 4.3Å; F553-A577 HydrophobicContact CZ-CB 4.19Å; F553-Y578 WeakPolarHBondContact CZ-O 3.11Å; F553-L580 HydrophobicContact CD2-CD1 3.39Å; F553-L580 HydrophobicContact CE2-CB 4.18Å; F553-L580 HydrophobicContact CE2-CD1 3.52Å; F553-L580 HydrophobicContact CE2-CG 4.48Å; F553-L580 HydrophobicContact CG-CD1 4Å; F553-L580 HydrophobicContact CZ-CD1 4.22Å; F553-A628 PolarHBondContact N-O 2.93Å; F553-C629 PolarHBondContact O-SG 3Å; F553-I638 HydrophobicContact CB-CD1 3.88Å; F553-I638 HydrophobicContact CD1-CD1 3.65Å; F553-I638 HydrophobicContact CG-CD1 3.99Å
554P88.9Confident85.4Confident49 Ų4964.4 Ų64.432%0.31833%0.332SS..  trans-62.8124.2177.9-2336000112D556 R557P554-D556 VanDerWaalsContact C-N 3.3Å; P554-D556 WeakPolarHBondContact CB-OD1 3.15Å; P554-D556 PolarHBondContact O-N 3.42Å; P554-R557 HydrophobicContact CB-CG 4.49Å; P554-R557 VanDerWaalsContact CD-NH2 3.34Å; P554-R557 PolarHBondContact O-N 3.13Å; P554-R557 VanDerWaalsContact O-N 3.15Å
555R89.6Confident85.4Confident62 Ų6257.5 Ų57.523%0.23430%0.3CS..G310 helixtrans-65.2-32.9-174.6-172.5-172.5-58.7-78.7-3.3112.9F553 R557 L558 S632 P634 Y636F553-R555 PolarHBondContact O-N 3.47Å; R555-R557 PolarHBondContact O-N 2.99Å; R555-L558 PolarHBondContact O-N 3.09Å; R555-S632 PolarHBondContact NE-O 3.31Å; R555-S632 PolarHBondContact NH2-O 3.37Å; R555-P634 PolarHBondContact NH1-O 2.8Å; R555-P634 PolarHBondContact NH2-O 3.07Å; R555-Y636 HydrophobicContact CG-CE2 4.49Å; R555-Y636 VanDerWaalsContact NH1-CZ 3.27Å
556D87.6Confident85.3Confident131 Ų13157.2 Ų57.270%0.70130%0.301SS*.G310 helixtrans-58.1-24.117554.9-58.8000112.9P554P554-D556 VanDerWaalsContact C-N 3.3Å; P554-D556 WeakPolarHBondContact CB-OD1 3.15Å; P554-D556 PolarHBondContact O-N 3.42Å
557R89.2Confident84.9Confident99 Ų9952 Ų5237%0.37427%0.267SS..G310 helixtrans-96.412.3177.3-60.5-166.7-66.8165.80113.5F553 P554 R555 Y578F553-R557 HydrophobicContact CE1-CB 3.88Å; F553-R557 HydrophobicContact CZ-CB 3.68Å; P554-R557 HydrophobicContact CB-CG 4.49Å; P554-R557 VanDerWaalsContact CD-NH2 3.34Å; P554-R557 PolarHBondContact O-N 3.13Å; P554-R557 VanDerWaalsContact O-N 3.15Å; R555-R557 PolarHBondContact O-N 2.99Å; R557-Y578 PolarHBondContact O-N 3.26Å
558L89.9Confident84.1Confident16 Ų1651.1 Ų51.18%0.08427%0.272CS..EExtended strand (participates in β ladder)trans-121.2112.8178.4-177.666.2000110.3F553 R555 L560 A577 V589 V591 Y636 I638F553-L558 HydrophobicContact CD1-CB 4.39Å; F553-L558 HydrophobicContact CE1-CB 4.03Å; R555-L558 PolarHBondContact O-N 3.09Å; L558-L560 HydrophobicContact CD2-CD2 4.08Å; L558-L560 HydrophobicContact CG-CD2 4.15Å; L558-A577 HydrophobicContact CD1-CB 4.07Å; L558-V589 HydrophobicContact CD1-CG2 3.88Å; L558-V591 HydrophobicContact CD1-CG2 4.01Å; L558-V591 HydrophobicContact CD2-CG1 4.26Å; L558-V591 HydrophobicContact CD2-CG2 4.05Å; L558-V591 HydrophobicContact CG-CG2 4.46Å; L558-Y636 HydrophobicContact CD2-CD2 3.85Å; L558-I638 HydrophobicContact CD1-CD1 4.45Å; L558-I638 HydrophobicContact CD2-CD1 3.96Å; L558-I638 HydrophobicContact CD2-CG1 4.17Å
559V90.1Very high83.4Confident79 Ų7950.3 Ų50.348%0.47927%0.266SS..EExtended strand (participates in β ladder)trans-98.4122.5174.4178.50000108.8G575 T576 Y578V559-G575 CarbonylContact O-C 3.58Å; V559-G575 WeakPolarHBondContact O-CA 3.4Å; V559-T576 PolarHBondContact N-O 3.41Å; V559-T576 PolarHBondContact O-N 2.63Å; V559-Y578 HydrophobicContact CB-CE2 4.44Å; V559-Y578 HydrophobicContact CG2-CE2 3.78Å
560L89.1Confident83.1Confident64 Ų6446.7 Ų46.734%0.33524%0.24SC..EExtended strand (participates in β ladder)trans-85.3137.2177.9-55.1176.9000110.3L558 V573 V591 M593 Y636L558-L560 HydrophobicContact CD2-CD2 4.08Å; L558-L560 HydrophobicContact CG-CD2 4.15Å; L560-V573 HydrophobicContact CB-CG2 4.32Å; L560-V573 HydrophobicContact CD2-CG2 3.86Å; L560-V591 HydrophobicContact CD2-CB 4.12Å; L560-V591 HydrophobicContact CD2-CG1 4.06Å; L560-V591 HydrophobicContact CD2-CG2 4Å; L560-M593 HydrophobicContact CD1-CE 3.77Å; L560-M593 HydrophobicContact CD2-CE 3.92Å; L560-M593 HydrophobicContact CG-CE 4.48Å; L560-Y636 HydrophobicContact CD1-CE2 3.99Å; L560-Y636 HydrophobicContact CD2-CE2 4.32Å
561G85.2Confident83.1Confident47 Ų4744.4 Ų44.449%0.48523%0.233SC..EExtended strand (participates in β ladder)trans-113.2-144.2178.300000112.6E574G561-E574 WeakPolarHBondContact CA-O 3.33Å; G561-E574 PolarHBondContact N-O 3.45Å
562R83.4Confident83Confident140 Ų14044 Ų4453%0.52823%0.232SC..EExtended strand (participates in β ladder)trans-65.8154.6-176.564.2178.3172175.70.4113L564 V573 E574 Y641R562-L564 PolarHBondContact O-N 2.98Å; R562-V573 CarbonylContact O-C 3.53Å; R562-V573 WeakPolarHBondContact O-CA 3.49Å; R562-E574 HydrophobicContact CG-CB 4.07Å; R562-E574 WeakPolarHBondContact CG-OE2 3.19Å; R562-E574 IonicContact CZ-OE2 3.9Å; R562-E574 IonicContact NE-OE2 3.77Å; R562-E574 PolarHBondContact NE-OE2 3.24Å; R562-E574 IonicContact NH2-OE2 2.84Å; R562-E574 PolarHBondContact NH2-OE2 3.39Å; R562-E574 PolarHBondContact O-N 2.9Å; R562-Y641 PolarHBondContact NH2-OH 3.46Å
563I85.1Confident82.9Confident31 Ų3142.3 Ų42.316%0.15922%0.224CC..EExtended strand (participates in β ladder)trans-74.6124173.2-58.1173.2000108.9K571 V573 A702I563-K571 HydrophobicContact CD1-CD 4.32Å; I563-V573 HydrophobicContact CB-CG1 4.47Å; I563-V573 HydrophobicContact CG1-CG1 3.98Å; I563-A702 HydrophobicContact CD1-CB 4.31Å
564L80.4Confident82.8Confident37 Ų3743 Ų4319%0.19423%0.227CC..EExtended strand (participates in β ladder)trans-85.4-35.4174.6-61.2175.4000111R562 V572 E574 A590 Y641 M699R562-L564 PolarHBondContact O-N 2.98Å; L564-V572 PolarHBondContact N-O 3.17Å; L564-E574 HydrophobicContact CD1-CB 4.24Å; L564-E574 HydrophobicContact CD2-CB 4.11Å; L564-E574 HydrophobicContact CG-CB 4.16Å; L564-A590 HydrophobicContact CD1-CB 4.15Å; L564-Y641 HydrophobicContact CD1-CD2 3.85Å; L564-Y641 HydrophobicContact CD1-CE2 3.71Å; L564-Y641 HydrophobicContact CD2-CE2 3.89Å; L564-Y641 HydrophobicContact CG-CE2 4.47Å; L564-M699 VanDerWaalsContact O-CE 3.31Å; L564-M699 WeakPolarHBondContact O-CE 3.35Å
565G74.3Confident82.9Confident1 Ų140.8 Ų40.81%0.0121%0.213CC..EExtended strand (participates in β ladder)trans-164.4147.8173.600000111.8K571 V572G565-K571 CarbonylContact O-C 3.57Å; G565-K571 WeakPolarHBondContact O-CA 3.42Å; G565-V572 PolarHBondContact N-O 3.16Å; G565-V572 VanDerWaalsContact N-O 3.15Å; G565-V572 PolarHBondContact O-N 3.48Å
566S74.7Confident82.9Confident21 Ų2139.6 Ų39.615%0.14721%0.213CC..EExtended strand (participates in β ladder)trans-132.8125.1177.6174.90000110.6K595 A803S566-K595 WeakPolarHBondContact OG-CE 3.35Å; S566-K595 PolarHBondContact OG-NZ 3.49Å; S566-A803 CarbonylContact C-O 3.42Å; S566-A803 PolarHBondContact N-O 2.95Å
567G69.3Low83Confident2 Ų233.4 Ų33.42%0.02118%0.179CC..  trans-105.4-171.1176.700000113.6F569 G570 K595 L802 A803 R804G567-F569 VanDerWaalsContact C-N 3.26Å; G567-F569 PolarHBondContact O-N 2.87Å; G567-G570 PolarHBondContact N-O 3.02Å; G567-K595 VanDerWaalsContact O-CE 3.24Å; G567-K595 WeakPolarHBondContact O-CE 3.44Å; G567-K595 PolarHBondContact O-NZ 3.32Å; G567-L802 WeakPolarHBondContact CA-O 3.32Å; G567-L802 PolarHBondContact N-O 3.47Å; G567-A803 VanDerWaalsContact CA-C 3.47Å; G567-A803 VanDerWaalsContact N-C 3.25Å; G567-A803 PolarHBondContact N-O 3.17Å; G567-R804 WeakPolarHBondContact CA-O 3.36Å
568A64.6Low82.9Confident37 Ų3733.7 Ų33.731%0.30618%0.181SC..SBendtrans-63.9-33.517800000112.2R804A568-R804 PolarHBondContact N-O 2.82Å
569F66.9Low82.5Confident27 Ų2734.6 Ų34.612%0.11819%0.194CC..SBendtrans-109.7-26.8-168.9-48.2-71.9000113.7Y520 G567 L594 K595 E602 L802Y520-F569 HydrophobicContact CD2-CB 4.37Å; Y520-F569 AromaticContact CD2-CD2 3.57Å; Y520-F569 HydrophobicContact CD2-CD2 3.57Å; Y520-F569 HydrophobicContact CD2-CE2 4.11Å; Y520-F569 HydrophobicContact CD2-CG 4.09Å; Y520-F569 HydrophobicContact CG-CB 4.27Å; Y520-F569 HydrophobicContact CG-CD2 4.05Å; Y520-F569 HydrophobicContact CG-CG 4.12Å; G567-F569 VanDerWaalsContact C-N 3.26Å; G567-F569 PolarHBondContact O-N 2.87Å; F569-L594 WeakPolarHBondContact O-CD2 3.35Å; F569-K595 PolarHBondContact O-N 2.69Å; F569-E602 HydrophobicContact CD1-CG 4.42Å; F569-E602 WeakPolarHBondContact CD1-OE1 3.41Å; F569-L802 HydrophobicContact CB-CD2 4Å
570G78Confident82.1Confident0 Ų031.1 Ų31.10%017%0.173CC..EExtended strand (participates in β ladder)trans-152.1-175.7-176.800000113.3G567 M593 L802G567-G570 PolarHBondContact N-O 3.02Å; G570-M593 CarbonylContact C-O 3.56Å; G570-M593 VanDerWaalsContact CA-O 3.27Å; G570-M593 WeakPolarHBondContact CA-O 3.27Å; G570-L802 CarbonylContact C-O 3.49Å; G570-L802 PolarHBondContact N-O 2.87Å; G570-L802 VanDerWaalsContact O-O 3.09Å
571K85Confident81.4Confident34 Ų3428.6 Ų28.615%0.14816%0.161CC..EExtended strand (participates in β ladder)trans-141.5153.6172.765.1179.3-178.5178.70110.5I563 G565 V573 M593I563-K571 HydrophobicContact CD1-CD 4.32Å; G565-K571 CarbonylContact O-C 3.57Å; G565-K571 WeakPolarHBondContact O-CA 3.42Å; K571-V573 HydrophobicContact CD-CG1 4.18Å; K571-V573 HydrophobicContact CG-CG1 4.26Å; K571-M593 VanDerWaalsContact CE-SD 3.58Å; K571-M593 HydrophobicContact CG-CG 3.68Å; K571-M593 HydrophobicContact CG-SD 4.22Å; K571-M593 PolarHBondContact N-O 3.41Å; K571-M593 PolarHBondContact O-N 3.41Å
572V87.9Confident80.6Confident3 Ų337.9 Ų37.92%0.01818%0.181CC..EExtended strand (participates in β ladder)trans-117128.2173-173.40000107.4L564 G565 A590 V591 K592 F800 A803L564-V572 PolarHBondContact N-O 3.17Å; G565-V572 PolarHBondContact N-O 3.16Å; G565-V572 VanDerWaalsContact N-O 3.15Å; G565-V572 PolarHBondContact O-N 3.48Å; V572-A590 HydrophobicContact CG1-CB 4.17Å; V572-V591 WeakPolarHBondContact CA-O 3.39Å; V572-K592 HydrophobicContact CG1-CG 4.27Å; V572-K592 HydrophobicContact CG2-CB 4.33Å; V572-K592 HydrophobicContact CG2-CG 3.81Å; V572-F800 HydrophobicContact CB-CE1 4.42Å; V572-F800 HydrophobicContact CG1-CE1 4.22Å; V572-F800 HydrophobicContact CG2-CD1 4.11Å; V572-F800 HydrophobicContact CG2-CE1 4.08Å; V572-A803 HydrophobicContact CB-CB 4.36Å; V572-A803 HydrophobicContact CG2-CB 3.58Å
573V89.7Confident79.6Confident5 Ų533.6 Ų33.63%0.0317%0.173CC..EExtended strand (participates in β ladder)trans-122.2149.6-177.9-53.40000110L560 R562 I563 K571 A590 V591 M593L560-V573 HydrophobicContact CB-CG2 4.32Å; L560-V573 HydrophobicContact CD2-CG2 3.86Å; R562-V573 CarbonylContact O-C 3.53Å; R562-V573 WeakPolarHBondContact O-CA 3.49Å; I563-V573 HydrophobicContact CB-CG1 4.47Å; I563-V573 HydrophobicContact CG1-CG1 3.98Å; K571-V573 HydrophobicContact CD-CG1 4.18Å; K571-V573 HydrophobicContact CG-CG1 4.26Å; V573-A590 CarbonylContact O-C 3.59Å; V573-V591 HydrophobicContact CG2-CB 3.87Å; V573-V591 PolarHBondContact N-O 3.28Å; V573-V591 PolarHBondContact O-N 3.49Å; V573-M593 HydrophobicContact CG1-CE 4.41Å; V573-M593 HydrophobicContact CG2-CE 3.46Å; V573-M593 VanDerWaalsContact CG2-CE 3.46Å
574E89.5Confident78.6Confident19 Ų1933 Ų339%0.08917%0.169CC..EExtended strand (participates in β ladder)trans-64.4144.6165-170.8172.3169.200107.9G561 R562 L564 K588 V589 Y641G561-E574 WeakPolarHBondContact CA-O 3.33Å; G561-E574 PolarHBondContact N-O 3.45Å; R562-E574 HydrophobicContact CG-CB 4.07Å; R562-E574 WeakPolarHBondContact CG-OE2 3.19Å; R562-E574 IonicContact CZ-OE2 3.9Å; R562-E574 IonicContact NE-OE2 3.77Å; R562-E574 PolarHBondContact NE-OE2 3.24Å; R562-E574 IonicContact NH2-OE2 2.84Å; R562-E574 PolarHBondContact NH2-OE2 3.39Å; R562-E574 PolarHBondContact O-N 2.9Å; L564-E574 HydrophobicContact CD1-CB 4.24Å; L564-E574 HydrophobicContact CD2-CB 4.11Å; L564-E574 HydrophobicContact CG-CB 4.16Å; E574-K588 WeakPolarHBondContact OE1-CE 3.42Å; E574-K588 IonicContact OE1-NZ 3.7Å; E574-K588 PolarHBondContact OE1-NZ 3.17Å; E574-V589 CarbonylContact C-O 3.58Å; E574-Y641 HydrophobicContact CG-CD2 4.49Å; E574-Y641 HydrophobicContact CG-CE2 4.27Å
575G90.3Very high78.2Confident1 Ų135.6 Ų35.61%0.0119%0.188CC..EExtended strand (participates in β ladder)trans-141.5157.417600000111V559 K588 V589V559-G575 CarbonylContact O-C 3.58Å; V559-G575 WeakPolarHBondContact O-CA 3.4Å; G575-K588 WeakPolarHBondContact O-CA 3.3Å; G575-V589 PolarHBondContact N-O 3.08Å; G575-V589 WeakPolarHBondContact O-CG2 3.38Å; G575-V589 PolarHBondContact O-N 3.38Å
576T90.1Very high78.6Confident38 Ų3838.7 Ų38.723%0.23321%0.207CC..EExtended strand (participates in β ladder)trans-117.4115.1171.1-56.90000107.9V559 Y578 V586 M587V559-T576 PolarHBondContact N-O 3.41Å; V559-T576 PolarHBondContact O-N 2.63Å; T576-Y578 HydrophobicContact CG2-CE2 3.97Å; T576-V586 HydrophobicContact CG2-CG1 3.38Å; T576-M587 WeakPolarHBondContact CA-O 3.38Å
577A89.4Confident79Confident0 Ų038.3 Ų38.30%020%0.203CC..EExtended strand (participates in β ladder)trans-103.1129.5-178.200000110.7F553 L558 L580 M587 V589F553-A577 HydrophobicContact CE1-CB 4.3Å; F553-A577 HydrophobicContact CZ-CB 4.19Å; L558-A577 HydrophobicContact CD1-CB 4.07Å; A577-L580 HydrophobicContact CB-CB 4.08Å; A577-L580 HydrophobicContact CB-CD2 3.95Å; A577-L580 HydrophobicContact CB-CG 4.5Å; A577-M587 PolarHBondContact N-O 2.76Å; A577-M587 PolarHBondContact O-N 3.04Å; A577-V589 HydrophobicContact CB-CG1 4.01Å; A577-V589 HydrophobicContact CB-CG2 4.1Å
578Y88.1Confident80Confident105 Ų10542.7 Ų42.741%0.41222%0.221SC..EExtended strand (participates in β ladder)trans-100.9121.3-178.7-64.8-91.9000111.6F553 R557 V559 T576 P585 V586F553-Y578 WeakPolarHBondContact CZ-O 3.11Å; R557-Y578 PolarHBondContact O-N 3.26Å; V559-Y578 HydrophobicContact CB-CE2 4.44Å; V559-Y578 HydrophobicContact CG2-CE2 3.78Å; T576-Y578 HydrophobicContact CG2-CE2 3.97Å; Y578-P585 CarbonylContact C-O 3.5Å; Y578-P585 VanDerWaalsContact CA-O 3.24Å; Y578-P585 WeakPolarHBondContact CA-O 3.09Å; Y578-V586 HydrophobicContact CD1-CB 4.5Å; Y578-V586 HydrophobicContact CD1-CG1 4.35Å; Y578-V586 HydrophobicContact CD1-CG2 3.71Å; Y578-V586 HydrophobicContact CE1-CB 4.45Å; Y578-V586 HydrophobicContact CE1-CG1 3.97Å; Y578-V586 HydrophobicContact CE1-CG2 3.69Å
579G81.6Confident81.3Confident35 Ų3540.9 Ų40.936%0.36121%0.207SC..SBendtrans72.329.917900000114.3P585G579-P585 PolarHBondContact N-O 2.86Å
580L81.4Confident82.6Confident6 Ų639.9 Ų39.93%0.03120%0.204CC..SBendtrans-77.3-32.7175.8-164.869.8000112.4F553 A577 M587 V589 L626 I638 P938 R942F553-L580 HydrophobicContact CD2-CD1 3.39Å; F553-L580 HydrophobicContact CE2-CB 4.18Å; F553-L580 HydrophobicContact CE2-CD1 3.52Å; F553-L580 HydrophobicContact CE2-CG 4.48Å; F553-L580 HydrophobicContact CG-CD1 4Å; F553-L580 HydrophobicContact CZ-CD1 4.22Å; A577-L580 HydrophobicContact CB-CB 4.08Å; A577-L580 HydrophobicContact CB-CD2 3.95Å; A577-L580 HydrophobicContact CB-CG 4.5Å; L580-M587 HydrophobicContact CD2-SD 3.96Å; L580-V589 HydrophobicContact CD2-CG1 3.84Å; L580-L626 HydrophobicContact CD2-CB 3.68Å; L580-L626 HydrophobicContact CD2-CD1 3.93Å; L580-L626 HydrophobicContact CD2-CG 4.44Å; L580-L626 HydrophobicContact CG-CB 4.45Å; L580-I638 HydrophobicContact CD2-CG2 4.44Å; L580-P938 HydrophobicContact CD2-CG 4.45Å; L580-P938 HydrophobicContact CG-CB 4.24Å; L580-P938 HydrophobicContact CG-CG 4.18Å; L580-R942 PolarHBondContact O-NH1 3.32Å; L580-R942 PolarHBondContact O-NH2 3.2Å
581S75.2Confident83.3Confident11 Ų1139.9 Ų39.98%0.07720%0.204CC..SBendtrans-116.7156.3172.1-177.40000110.4S583 Q584 D936S581-S583 PolarHBondContact OG-N 2.91Å; S581-S583 PolarHBondContact OG-OG 3.31Å; S581-Q584 VanDerWaalsContact O-O 3.12Å; S581-D936 PolarHBondContact OG-O 2.84Å
582R68.6Low83.6Confident243 Ų24338.8 Ų38.892%0.91720%0.199SC*.SBendtrans-76.9-33176-71.5-175.2176.1-178.20.8112.1
583S61.4Low83.6Confident50 Ų5039.1 Ų39.135%0.3520%0.2SC..SBendtrans-91.4-27.5-17451.60000113.1S581 Y727 D936S581-S583 PolarHBondContact OG-N 2.91Å; S581-S583 PolarHBondContact OG-OG 3.31Å; S583-Y727 WeakPolarHBondContact CA-OH 3.11Å; S583-Y727 WeakPolarHBondContact CB-OH 3.46Å; S583-Y727 PolarHBondContact O-OH 3.37Å; S583-Y727 WeakPolarHBondContact OG-CE2 3.42Å; S583-Y727 PolarHBondContact OG-OH 3.01Å; S583-D936 WeakPolarHBondContact CB-OD1 3.49Å; S583-D936 WeakPolarHBondContact CB-OD2 3.31Å; S583-D936 PolarHBondContact N-OD2 3.38Å; S583-D936 PolarHBondContact OG-OD1 2.92Å; S583-D936 PolarHBondContact OG-OD2 3.42Å
584Q64.3Low83.5Confident17 Ų1740 Ų408%0.07921%0.205CC..  trans-117.6117.7160.8-75.8159.329.400111.7S581 V586 N726 Y727S581-Q584 VanDerWaalsContact O-O 3.12Å; Q584-V586 PolarHBondContact O-N 3.5Å; Q584-N726 PolarHBondContact NE2-O 3.06Å; Q584-N726 VanDerWaalsContact NE2-O 3.13Å; Q584-Y727 HydrophobicContact CB-CD2 3.73Å; Q584-Y727 HydrophobicContact CB-CE2 3.22Å; Q584-Y727 VanDerWaalsContact CD-CG 3.45Å; Q584-Y727 HydrophobicContact CG-CD2 3.59Å; Q584-Y727 HydrophobicContact CG-CE2 3.2Å; Q584-Y727 HydrophobicContact CG-CG 4.42Å; Q584-Y727 WeakPolarHBondContact CG-OH 3.25Å; Q584-Y727 VanDerWaalsContact N-CE2 3.34Å; Q584-Y727 PolarHBondContact N-OH 2.75Å; Q584-Y727 VanDerWaalsContact NE2-CA 3.33Å; Q584-Y727 VanDerWaalsContact NE2-CE2 3.28Å
585P73Confident83.2Confident92 Ų9242.1 Ų42.160%0.59721%0.214SC*.SBendtrans-70.7-16.1173.929.2-33000112.2Y578 G579Y578-P585 CarbonylContact C-O 3.5Å; Y578-P585 VanDerWaalsContact CA-O 3.24Å; Y578-P585 WeakPolarHBondContact CA-O 3.09Å; G579-P585 PolarHBondContact N-O 2.86Å
586V82.2Confident82.6Confident66 Ų6648.6 Ų48.640%0.426%0.256SS..EExtended strand (participates in β ladder)trans-133.8122179.5-170.60000109.3T576 Y578 Q584T576-V586 HydrophobicContact CG2-CG1 3.38Å; Y578-V586 HydrophobicContact CD1-CB 4.5Å; Y578-V586 HydrophobicContact CD1-CG1 4.35Å; Y578-V586 HydrophobicContact CD1-CG2 3.71Å; Y578-V586 HydrophobicContact CE1-CB 4.45Å; Y578-V586 HydrophobicContact CE1-CG1 3.97Å; Y578-V586 HydrophobicContact CE1-CG2 3.69Å; Q584-V586 PolarHBondContact O-N 3.5Å
587M83.2Confident81.9Confident14 Ų1452.9 Ų52.97%0.06928%0.282CS..EExtended strand (participates in β ladder)trans-132.4136.2-177.2177.2179.4-82.300110.9T576 A577 L580 V589 L626 Y727 P938T576-M587 WeakPolarHBondContact CA-O 3.38Å; A577-M587 PolarHBondContact N-O 2.76Å; A577-M587 PolarHBondContact O-N 3.04Å; L580-M587 HydrophobicContact CD2-SD 3.96Å; M587-V589 HydrophobicContact CG-CG1 4.08Å; M587-V589 HydrophobicContact SD-CG1 4.34Å; M587-L626 HydrophobicContact SD-CD1 3.96Å; M587-Y727 HydrophobicContact CE-CD2 3.31Å; M587-Y727 HydrophobicContact CE-CE2 4.04Å; M587-Y727 HydrophobicContact CE-CG 4.13Å; M587-P938 HydrophobicContact CE-CG 3.99Å; M587-P938 HydrophobicContact SD-CG 4.11Å
588K89Confident81Confident93 Ų9353.6 Ų53.640%0.40429%0.288SS..EExtended strand (participates in β ladder)trans-76134.5168.1-75.2-166.5174-154.20110.6E574 G575 Y641E574-K588 WeakPolarHBondContact OE1-CE 3.42Å; E574-K588 IonicContact OE1-NZ 3.7Å; E574-K588 PolarHBondContact OE1-NZ 3.17Å; G575-K588 WeakPolarHBondContact O-CA 3.3Å; K588-Y641 HydrophobicContact CB-CD1 4.2Å; K588-Y641 HydrophobicContact CB-CG 4.46Å; K588-Y641 HydrophobicContact CD-CD1 4.4Å; K588-Y641 HydrophobicContact CD-CE1 4.42Å
589V93.1Very high80.4Confident0 Ų053 Ų530%028%0.284CS..EExtended strand (participates in β ladder)trans-137.1158.9-175.6-62.60000110.5L558 E574 G575 A577 L580 M587 V591 L626 I638L558-V589 HydrophobicContact CD1-CG2 3.88Å; E574-V589 CarbonylContact C-O 3.58Å; G575-V589 PolarHBondContact N-O 3.08Å; G575-V589 WeakPolarHBondContact O-CG2 3.38Å; G575-V589 PolarHBondContact O-N 3.38Å; A577-V589 HydrophobicContact CB-CG1 4.01Å; A577-V589 HydrophobicContact CB-CG2 4.1Å; L580-V589 HydrophobicContact CD2-CG1 3.84Å; M587-V589 HydrophobicContact CG-CG1 4.08Å; M587-V589 HydrophobicContact SD-CG1 4.34Å; V589-V591 HydrophobicContact CG2-CG2 3.98Å; V589-L626 HydrophobicContact CG1-CD1 3.74Å; V589-I638 HydrophobicContact CB-CG2 3.63Å; V589-I638 HydrophobicContact CG1-CG2 3.83Å; V589-I638 HydrophobicContact CG2-CG2 3.7Å
590A93.6Very high80.1Confident6 Ų656.1 Ų56.15%0.0530%0.301CS..EExtended strand (participates in β ladder)trans-101.4132.6165.700000108.9L564 V572 V573 T639L564-A590 HydrophobicContact CD1-CB 4.15Å; V572-A590 HydrophobicContact CG1-CB 4.17Å; V573-A590 CarbonylContact O-C 3.59Å; A590-T639 PolarHBondContact N-O 3.39Å; A590-T639 PolarHBondContact O-N 2.85Å; A590-T639 PolarHBondContact O-OG1 3.21Å
591V92.9Very high79.6Confident0 Ų057.6 Ų57.60%031%0.312CS..EExtended strand (participates in β ladder)trans-116.8111.9-176.7-173.40000109.3L558 L560 V572 V573 V589 M593 Y636 I637L558-V591 HydrophobicContact CD1-CG2 4.01Å; L558-V591 HydrophobicContact CD2-CG1 4.26Å; L558-V591 HydrophobicContact CD2-CG2 4.05Å; L558-V591 HydrophobicContact CG-CG2 4.46Å; L560-V591 HydrophobicContact CD2-CB 4.12Å; L560-V591 HydrophobicContact CD2-CG1 4.06Å; L560-V591 HydrophobicContact CD2-CG2 4Å; V572-V591 WeakPolarHBondContact CA-O 3.39Å; V573-V591 HydrophobicContact CG2-CB 3.87Å; V573-V591 PolarHBondContact N-O 3.28Å; V573-V591 PolarHBondContact O-N 3.49Å; V589-V591 HydrophobicContact CG2-CG2 3.98Å; V591-M593 HydrophobicContact CB-CE 4.27Å; V591-M593 HydrophobicContact CG1-CE 3.73Å; V591-Y636 HydrophobicContact CG1-CD1 4.36Å; V591-Y636 HydrophobicContact CG1-CD2 4.17Å; V591-Y636 HydrophobicContact CG1-CG 3.87Å; V591-I637 CarbonylContact C-O 3.52Å; V591-I637 WeakPolarHBondContact CA-O 3.05Å
592K91Very high79.6Confident10 Ų1058 Ų584%0.04331%0.312CS..EExtended strand (participates in β ladder)trans-85132.6172.6-54.9-173.6162.9173.40110V572 E609 Y636 I637 D799V572-K592 HydrophobicContact CG1-CG 4.27Å; V572-K592 HydrophobicContact CG2-CB 4.33Å; V572-K592 HydrophobicContact CG2-CG 3.81Å; K592-E609 WeakPolarHBondContact CD-OE1 3.32Å; K592-E609 IonicContact NZ-OE1 3.61Å; K592-E609 PolarHBondContact NZ-OE1 2.91Å; K592-Y636 WeakPolarHBondContact O-CA 3.25Å; K592-I637 HydrophobicContact CB-CB 4.24Å; K592-I637 PolarHBondContact N-O 3.5Å; K592-I637 PolarHBondContact O-N 3.12Å; K592-D799 PolarHBondContact NZ-O 2.95Å
593M88.9Confident80.3Confident10 Ų1051.9 Ų51.95%0.04929%0.293CS..EExtended strand (participates in β ladder)trans-148.7157.3178.265.6-173.866.600111.8L560 G570 K571 V573 V591 Y636L560-M593 HydrophobicContact CD1-CE 3.77Å; L560-M593 HydrophobicContact CD2-CE 3.92Å; L560-M593 HydrophobicContact CG-CE 4.48Å; G570-M593 CarbonylContact C-O 3.56Å; G570-M593 VanDerWaalsContact CA-O 3.27Å; G570-M593 WeakPolarHBondContact CA-O 3.27Å; K571-M593 VanDerWaalsContact CE-SD 3.58Å; K571-M593 HydrophobicContact CG-CG 3.68Å; K571-M593 HydrophobicContact CG-SD 4.22Å; K571-M593 PolarHBondContact N-O 3.41Å; K571-M593 PolarHBondContact O-N 3.41Å; V573-M593 HydrophobicContact CG1-CE 4.41Å; V573-M593 HydrophobicContact CG2-CE 3.46Å; V573-M593 VanDerWaalsContact CG2-CE 3.46Å; V591-M593 HydrophobicContact CB-CE 4.27Å; V591-M593 HydrophobicContact CG1-CE 3.73Å; M593-Y636 HydrophobicContact CB-CD1 3.58Å; M593-Y636 HydrophobicContact CB-CE1 3.7Å; M593-Y636 HydrophobicContact CE-CD1 3.92Å; M593-Y636 HydrophobicContact CE-CE1 3.61Å; M593-Y636 HydrophobicContact CE-CE2 4.44Å; M593-Y636 HydrophobicContact CG-CE1 4.37Å; M593-Y636 HydrophobicContact SD-CD1 4.46Å; M593-Y636 HydrophobicContact SD-CE1 3.8Å
594L86.6Confident81.2Confident25 Ų2554.3 Ų54.313%0.13130%0.298CS..EExtended strand (participates in β ladder)trans-84.2156174.9-68.1169.3000111.8F569 A598 E602 K603 L606 L802F569-L594 WeakPolarHBondContact O-CD2 3.35Å; L594-A598 HydrophobicContact CB-CB 3.68Å; L594-A598 HydrophobicContact CD1-CB 4.15Å; L594-A598 HydrophobicContact CD2-CB 4.43Å; L594-A598 HydrophobicContact CG-CB 4.29Å; L594-E602 HydrophobicContact CD1-CB 4.35Å; L594-E602 HydrophobicContact CD2-CB 4.2Å; L594-K603 VanDerWaalsContact CD1-CA 3.45Å; L594-K603 HydrophobicContact CD1-CB 4.14Å; L594-K603 HydrophobicContact CD1-CG 3.68Å; L594-L606 HydrophobicContact CD1-CB 4.1Å; L594-L606 HydrophobicContact CD1-CD2 4.08Å; L594-L606 HydrophobicContact CG-CB 4.36Å; L594-L606 HydrophobicContact CG-CD2 3.88Å; L594-L802 HydrophobicContact CD2-CD2 3.85Å
595K83.1Confident81.8Confident63 Ų6353.9 Ų53.927%0.27430%0.298SS..  trans-68153.2170.4-73.9179.2169.9175.20110.5S566 G567 F569 T597 A598S566-K595 WeakPolarHBondContact OG-CE 3.35Å; S566-K595 PolarHBondContact OG-NZ 3.49Å; G567-K595 VanDerWaalsContact O-CE 3.24Å; G567-K595 WeakPolarHBondContact O-CE 3.44Å; G567-K595 PolarHBondContact O-NZ 3.32Å; F569-K595 PolarHBondContact O-N 2.69Å; K595-T597 PolarHBondContact O-N 3Å; K595-T597 VanDerWaalsContact O-N 3.1Å; K595-A598 WeakPolarHBondContact O-CB 3.42Å; K595-A598 PolarHBondContact O-N 3.23Å
596P78.1Confident82.3Confident137 Ų13749.5 Ų49.589%0.8927%0.27SS*.THydrogen-bonded Turntrans-57.3-27.9178.8-25.634.6000113.9A598P596-A598 PolarHBondContact O-N 3.06Å
597T75.1Confident82.3Confident127 Ų12747.9 Ų47.978%0.77926%0.258SS*.THydrogen-bonded Turntrans-78.45.2177.654.80000114.1K595K595-T597 PolarHBondContact O-N 3Å; K595-T597 VanDerWaalsContact O-N 3.1Å
598A71.3Confident82.3Confident15 Ų1547.5 Ų47.512%0.12426%0.257CS..  trans-72.3138.8-171.100000113.9L594 K595 P596 E602L594-A598 HydrophobicContact CB-CB 3.68Å; L594-A598 HydrophobicContact CD1-CB 4.15Å; L594-A598 HydrophobicContact CD2-CB 4.43Å; L594-A598 HydrophobicContact CG-CB 4.29Å; K595-A598 WeakPolarHBondContact O-CB 3.42Å; K595-A598 PolarHBondContact O-N 3.23Å; P596-A598 PolarHBondContact O-N 3.06Å; A598-E602 WeakPolarHBondContact CA-OE2 3.29Å; A598-E602 HydrophobicContact CB-CB 4.37Å; A598-E602 VanDerWaalsContact CB-OE2 3.31Å; A598-E602 WeakPolarHBondContact CB-OE2 3.34Å
599R74.8Confident82.1Confident92 Ų9243.6 Ų43.635%0.34724%0.24SC..  trans-76.7160.7-179-64.6175.4171.6-164-10.6111.8S601 E602 K603R599-S601 PolarHBondContact O-N 3.3Å; R599-E602 HydrophobicContact CB-CG 4.43Å; R599-E602 PolarHBondContact N-OE2 3.39Å; R599-E602 WeakPolarHBondContact O-CB 3.35Å; R599-E602 PolarHBondContact O-N 2.87Å; R599-K603 PolarHBondContact O-N 2.77Å; R599-K603 VanDerWaalsContact O-N 3.08Å
600S75.3Confident81.8Confident101 Ų10143.6 Ų43.671%0.70624%0.24SC*.Hα-helixtrans-56.8-37.5174.251.40000112.9E602 K603 Q604S600-E602 VanDerWaalsContact C-N 3.31Å; S600-E602 PolarHBondContact O-N 3Å; S600-K603 PolarHBondContact O-N 3.47Å; S600-Q604 WeakPolarHBondContact O-CB 3.25Å; S600-Q604 PolarHBondContact O-N 2.81Å
601S70.7Confident81.5Confident38 Ų3844.5 Ų44.527%0.26624%0.243SC..Hα-helixtrans-63.4-34.5175.457.30000113.2R599 Q604 A605R599-S601 PolarHBondContact O-N 3.3Å; S601-Q604 PolarHBondContact O-N 3.21Å; S601-A605 WeakPolarHBondContact O-CB 3.36Å; S601-A605 PolarHBondContact O-N 3.34Å
602E76.1Confident81.1Confident18 Ų1844.6 Ų44.68%0.08424%0.243CC..Hα-helixtrans-74.9-38178-68.3157.2-176.900110.8F569 L594 A598 R599 S600 Q604 A605 L606F569-E602 HydrophobicContact CD1-CG 4.42Å; F569-E602 WeakPolarHBondContact CD1-OE1 3.41Å; L594-E602 HydrophobicContact CD1-CB 4.35Å; L594-E602 HydrophobicContact CD2-CB 4.2Å; A598-E602 WeakPolarHBondContact CA-OE2 3.29Å; A598-E602 HydrophobicContact CB-CB 4.37Å; A598-E602 VanDerWaalsContact CB-OE2 3.31Å; A598-E602 WeakPolarHBondContact CB-OE2 3.34Å; R599-E602 HydrophobicContact CB-CG 4.43Å; R599-E602 PolarHBondContact N-OE2 3.39Å; R599-E602 WeakPolarHBondContact O-CB 3.35Å; R599-E602 PolarHBondContact O-N 2.87Å; S600-E602 VanDerWaalsContact C-N 3.31Å; S600-E602 PolarHBondContact O-N 3Å; E602-Q604 VanDerWaalsContact C-N 3.31Å; E602-Q604 PolarHBondContact O-N 2.98Å; E602-A605 PolarHBondContact O-N 3.22Å; E602-L606 PolarHBondContact O-N 3.01Å
603K81.9Confident80.9Confident115 Ų11545.2 Ų45.250%0.525%0.247SC..Hα-helixtrans-59.2-43.6170.1-66.4-179.5-177.6-177.80111.5L594 R599 S600 A605 L606 M607L594-K603 VanDerWaalsContact CD1-CA 3.45Å; L594-K603 HydrophobicContact CD1-CB 4.14Å; L594-K603 HydrophobicContact CD1-CG 3.68Å; R599-K603 PolarHBondContact O-N 2.77Å; R599-K603 VanDerWaalsContact O-N 3.08Å; S600-K603 PolarHBondContact O-N 3.47Å; K603-A605 VanDerWaalsContact C-N 3.35Å; K603-L606 PolarHBondContact O-N 3.03Å; K603-M607 WeakPolarHBondContact O-CB 3.35Å; K603-M607 PolarHBondContact O-N 3.34Å
604Q80.3Confident80.7Confident101 Ų10145.9 Ų45.947%0.47225%0.251SS..Hα-helixtrans-62.3-43.3176.7-166.5176.81.300111.4M543 S600 S601 E602 M607 S608M543-Q604 HydrophobicContact CE-CG 3.61Å; M543-Q604 WeakPolarHBondContact CE-O 3.47Å; M543-Q604 HydrophobicContact CG-CG 4.09Å; M543-Q604 VanDerWaalsContact CG-NE2 3.27Å; M543-Q604 HydrophobicContact SD-CG 3.32Å; M543-Q604 WeakPolarHBondContact SD-CG 3.43Å; M543-Q604 PolarHBondContact SD-NE2 2.83Å; S600-Q604 WeakPolarHBondContact O-CB 3.25Å; S600-Q604 PolarHBondContact O-N 2.81Å; S601-Q604 PolarHBondContact O-N 3.21Å; E602-Q604 VanDerWaalsContact C-N 3.31Å; E602-Q604 PolarHBondContact O-N 2.98Å; Q604-M607 PolarHBondContact O-N 2.96Å; Q604-S608 WeakPolarHBondContact O-CB 3.15Å; Q604-S608 PolarHBondContact O-N 2.86Å; Q604-S608 PolarHBondContact O-OG 3.06Å
605A76.9Confident80.6Confident9 Ų949.7 Ų49.77%0.07427%0.268CS..Hα-helixtrans-63.6-45176.900000112.6Y520 I522 S601 E602 K603 M607 S608 E609Y520-A605 HydrophobicContact CD1-CB 3.44Å; Y520-A605 VanDerWaalsContact CD1-CB 3.44Å; Y520-A605 HydrophobicContact CE1-CB 3.65Å; I522-A605 HydrophobicContact CD1-CB 4.34Å; I522-A605 WeakPolarHBondContact CD1-O 3.37Å; I522-A605 HydrophobicContact CG1-CB 4.03Å; I522-A605 VanDerWaalsContact CG1-O 3.29Å; I522-A605 WeakPolarHBondContact CG1-O 3.24Å; S601-A605 WeakPolarHBondContact O-CB 3.36Å; S601-A605 PolarHBondContact O-N 3.34Å; E602-A605 PolarHBondContact O-N 3.22Å; K603-A605 VanDerWaalsContact C-N 3.35Å; A605-M607 VanDerWaalsContact C-N 3.27Å; A605-M607 PolarHBondContact O-N 3.28Å; A605-S608 WeakPolarHBondContact O-CB 3.31Å; A605-S608 PolarHBondContact O-N 3.3Å; A605-E609 PolarHBondContact O-N 2.83Å
606L83.7Confident80.8Confident0 Ų047 Ų470%026%0.257CS..Hα-helixtrans-59.9-39.5174.1-175.770.1000111.4L594 E602 K603 E609 L610 I635 I637 L802L594-L606 HydrophobicContact CD1-CB 4.1Å; L594-L606 HydrophobicContact CD1-CD2 4.08Å; L594-L606 HydrophobicContact CG-CB 4.36Å; L594-L606 HydrophobicContact CG-CD2 3.88Å; E602-L606 PolarHBondContact O-N 3.01Å; K603-L606 PolarHBondContact O-N 3.03Å; L606-E609 WeakPolarHBondContact O-CB 3.35Å; L606-E609 PolarHBondContact O-N 3.08Å; L606-L610 PolarHBondContact O-N 2.99Å; L606-I635 HydrophobicContact CD2-CB 3.89Å; L606-I635 HydrophobicContact CD2-CG2 3.69Å; L606-I635 HydrophobicContact CG-CG2 4.28Å; L606-I637 HydrophobicContact CD1-CD1 3.39Å; L606-I637 HydrophobicContact CD1-CG1 4Å; L606-I637 HydrophobicContact CG-CD1 3.8Å; L606-I637 HydrophobicContact CG-CG1 4.21Å; L606-I637 WeakPolarHBondContact O-CD1 3.48Å; L606-L802 HydrophobicContact CD1-CD1 3.47Å; L606-L802 VanDerWaalsContact CD1-CD1 3.47Å
607M83.8Confident81.1Confident31 Ų3141.3 Ų41.315%0.15322%0.224CC..Hα-helixtrans-69.8-36179.8-161.859.7-158.600112.7M543 Y547 K603 Q604 A605 E609 L610 K611 T630M543-M607 HydrophobicContact CE-CB 4.33Å; Y547-M607 HydrophobicContact CD1-CE 3.91Å; Y547-M607 HydrophobicContact CD2-CE 3.67Å; Y547-M607 HydrophobicContact CE1-CE 4.44Å; Y547-M607 HydrophobicContact CE2-CE 4.25Å; Y547-M607 HydrophobicContact CG-CE 3.49Å; Y547-M607 VanDerWaalsContact CG-CE 3.49Å; K603-M607 WeakPolarHBondContact O-CB 3.35Å; K603-M607 PolarHBondContact O-N 3.34Å; Q604-M607 PolarHBondContact O-N 2.96Å; A605-M607 VanDerWaalsContact C-N 3.27Å; A605-M607 PolarHBondContact O-N 3.28Å; M607-E609 VanDerWaalsContact C-N 3.34Å; M607-L610 HydrophobicContact CE-CD2 3.72Å; M607-L610 HydrophobicContact CE-CG 4.5Å; M607-L610 WeakPolarHBondContact O-CB 3.2Å; M607-L610 PolarHBondContact O-N 2.99Å; M607-L610 HydrophobicContact SD-CD2 3.82Å; M607-K611 WeakPolarHBondContact O-CG 3.26Å; M607-K611 PolarHBondContact O-N 2.94Å; M607-T630 HydrophobicContact CE-CG2 4.2Å; M607-T630 HydrophobicContact SD-CG2 4.28Å
608S82.4Confident81.9Confident7 Ų736.4 Ų36.45%0.04919%0.194CC..Hα-helixtrans-64.4-37170.6-81.60000112M543 Q604 A605 K611 I612M543-S608 WeakPolarHBondContact CE-OG 3.43Å; Q604-S608 WeakPolarHBondContact O-CB 3.15Å; Q604-S608 PolarHBondContact O-N 2.86Å; Q604-S608 PolarHBondContact O-OG 3.06Å; A605-S608 WeakPolarHBondContact O-CB 3.31Å; A605-S608 PolarHBondContact O-N 3.3Å; S608-K611 PolarHBondContact O-N 3.37Å; S608-I612 VanDerWaalsContact O-CG1 3.3Å; S608-I612 WeakPolarHBondContact O-CG1 3.39Å; S608-I612 PolarHBondContact O-N 3.29Å
609E84.4Confident83Confident10 Ų1036.8 Ų36.85%0.04719%0.193CC..Hα-helixtrans-62.2-46.3175-176.6-176.8164.800110.3K592 A605 L606 M607 K611 I612 M613 I637 L802K592-E609 WeakPolarHBondContact CD-OE1 3.32Å; K592-E609 IonicContact NZ-OE1 3.61Å; K592-E609 PolarHBondContact NZ-OE1 2.91Å; A605-E609 PolarHBondContact O-N 2.83Å; L606-E609 WeakPolarHBondContact O-CB 3.35Å; L606-E609 PolarHBondContact O-N 3.08Å; M607-E609 VanDerWaalsContact C-N 3.34Å; E609-K611 VanDerWaalsContact C-N 3.33Å; E609-K611 PolarHBondContact O-N 2.81Å; E609-I612 PolarHBondContact O-N 3.14Å; E609-M613 HydrophobicContact CG-SD 4.47Å; E609-M613 WeakPolarHBondContact O-CG 3.41Å; E609-M613 PolarHBondContact O-N 2.82Å; E609-I637 HydrophobicContact CB-CD1 4.42Å; E609-I637 HydrophobicContact CG-CD1 4.47Å; E609-L802 WeakPolarHBondContact OE2-CD1 3.49Å
610L87.8Confident83.9Confident0 Ų032.9 Ų32.90%018%0.179CC..Hα-helixtrans-55.3-48.1174.217856.7000111.6Y547 L606 M607 I612 M613 T614 L625 A628 T630 I637Y547-L610 HydrophobicContact CD2-CD2 3.94Å; Y547-L610 HydrophobicContact CD2-CG 4.09Å; Y547-L610 HydrophobicContact CE2-CD1 4.29Å; Y547-L610 HydrophobicContact CE2-CD2 3.48Å; Y547-L610 VanDerWaalsContact CE2-CD2 3.48Å; Y547-L610 HydrophobicContact CE2-CG 3.84Å; L606-L610 PolarHBondContact O-N 2.99Å; M607-L610 HydrophobicContact CE-CD2 3.72Å; M607-L610 HydrophobicContact CE-CG 4.5Å; M607-L610 WeakPolarHBondContact O-CB 3.2Å; M607-L610 PolarHBondContact O-N 2.99Å; M607-L610 HydrophobicContact SD-CD2 3.82Å; L610-I612 PolarHBondContact O-N 2.84Å; L610-M613 PolarHBondContact O-N 3.21Å; L610-T614 HydrophobicContact CD1-CG2 4.37Å; L610-T614 WeakPolarHBondContact O-CG2 3.34Å; L610-T614 PolarHBondContact O-N 3.21Å; L610-T614 PolarHBondContact O-OG1 3.05Å; L610-L625 HydrophobicContact CD1-CD1 3.71Å; L610-L625 HydrophobicContact CD1-CD2 3.65Å; L610-L625 HydrophobicContact CD1-CG 4.35Å; L610-A628 HydrophobicContact CD1-CB 3.72Å; L610-A628 HydrophobicContact CD2-CB 3.58Å; L610-A628 HydrophobicContact CG-CB 4.33Å; L610-T630 HydrophobicContact CD2-CG2 3.82Å; L610-I637 HydrophobicContact CB-CD1 3.87Å; L610-I637 HydrophobicContact CB-CG1 4.26Å; L610-I637 HydrophobicContact CD1-CG2 4.38Å
611K86.6Confident84.9Confident26 Ų2628 Ų2811%0.11315%0.145CC..Hα-helixtrans-63-40179.4-71.3173.2174.8-158.30113P542 M543 L545 M607 S608 E609 T614 H615P542-K611 WeakPolarHBondContact O-CD 3.46Å; M543-K611 PolarHBondContact O-NZ 3.12Å; L545-K611 HydrophobicContact CB-CB 4.08Å; L545-K611 HydrophobicContact CB-CD 4.26Å; L545-K611 HydrophobicContact CD1-CB 4.44Å; L545-K611 VanDerWaalsContact O-CD 3.24Å; L545-K611 WeakPolarHBondContact O-CD 3.43Å; L545-K611 WeakPolarHBondContact O-CE 3.27Å; L545-K611 PolarHBondContact O-NZ 3.09Å; M607-K611 WeakPolarHBondContact O-CG 3.26Å; M607-K611 PolarHBondContact O-N 2.94Å; S608-K611 PolarHBondContact O-N 3.37Å; E609-K611 VanDerWaalsContact C-N 3.33Å; E609-K611 PolarHBondContact O-N 2.81Å; K611-T614 WeakPolarHBondContact CA-OG1 3.48Å; K611-T614 PolarHBondContact O-N 3.17Å; K611-T614 PolarHBondContact O-OG1 3.35Å; K611-H615 WeakPolarHBondContact O-CB 3.16Å; K611-H615 PolarHBondContact O-N 2.84Å
612I84.5Confident86Confident2 Ų226.6 Ų26.61%0.0113%0.134CC..Hα-helixtrans-62.8-48.2175.1-68.6163.6000109.9I522 W524 V526 P542 S608 E609 L610 T614 H615 L616I522-I612 HydrophobicContact CG2-CD1 4.14Å; W524-I612 HydrophobicContact CB-CD1 4.46Å; W524-I612 HydrophobicContact CB-CG2 4.34Å; W524-I612 HydrophobicContact CE3-CG2 3.99Å; V526-I612 HydrophobicContact CG2-CG2 4.48Å; P542-I612 HydrophobicContact CB-CD1 4.05Å; P542-I612 HydrophobicContact CB-CG1 4Å; P542-I612 HydrophobicContact CG-CD1 3.86Å; P542-I612 HydrophobicContact CG-CG1 4.25Å; S608-I612 VanDerWaalsContact O-CG1 3.3Å; S608-I612 WeakPolarHBondContact O-CG1 3.39Å; S608-I612 PolarHBondContact O-N 3.29Å; E609-I612 PolarHBondContact O-N 3.14Å; L610-I612 PolarHBondContact O-N 2.84Å; I612-T614 VanDerWaalsContact C-N 3.29Å; I612-T614 PolarHBondContact O-N 2.93Å; I612-H615 PolarHBondContact O-N 3.37Å; I612-L616 HydrophobicContact CG2-CD1 3.8Å; I612-L616 HydrophobicContact CG2-CG 4.23Å; I612-L616 WeakPolarHBondContact O-CG 3.47Å; I612-L616 PolarHBondContact O-N 2.87Å
613M85.9Confident86.8Confident22 Ų2226.1 Ų26.111%0.10813%0.132CC..Hα-helixtrans-61.5-37.2178.9-67.1-174.778.500112.4E609 L610 H615 V623 L625 I637 T639E609-M613 HydrophobicContact CG-SD 4.47Å; E609-M613 WeakPolarHBondContact O-CG 3.41Å; E609-M613 PolarHBondContact O-N 2.82Å; L610-M613 PolarHBondContact O-N 3.21Å; M613-H615 VanDerWaalsContact C-N 3.33Å; M613-H615 PolarHBondContact O-N 2.6Å; M613-V623 VanDerWaalsContact CE-O 3.29Å; M613-V623 WeakPolarHBondContact CE-O 2.91Å; M613-L625 HydrophobicContact CB-CB 4.17Å; M613-L625 HydrophobicContact CB-CD2 4.32Å; M613-L625 HydrophobicContact CE-CB 4.08Å; M613-I637 HydrophobicContact SD-CG2 4.36Å; M613-T639 HydrophobicContact CE-CG2 3.87Å; M613-T639 HydrophobicContact SD-CG2 4.43Å
614T85.9Confident87.3Confident25 Ų2520.8 Ų20.815%0.15311%0.11CC..Hα-helixtrans-65.6-35.1173.754.50000112.7W551 L610 K611 I612 L625W551-T614 VanDerWaalsContact CD1-CG2 3.45Å; W551-T614 HydrophobicContact CD2-CG2 4.1Å; W551-T614 HydrophobicContact CG-CG2 3.82Å; L610-T614 HydrophobicContact CD1-CG2 4.37Å; L610-T614 WeakPolarHBondContact O-CG2 3.34Å; L610-T614 PolarHBondContact O-N 3.21Å; L610-T614 PolarHBondContact O-OG1 3.05Å; K611-T614 WeakPolarHBondContact CA-OG1 3.48Å; K611-T614 PolarHBondContact O-N 3.17Å; K611-T614 PolarHBondContact O-OG1 3.35Å; I612-T614 VanDerWaalsContact C-N 3.29Å; I612-T614 PolarHBondContact O-N 2.93Å; T614-L625 HydrophobicContact CG2-CD2 3.45Å; T614-L625 VanDerWaalsContact CG2-CD2 3.45Å
615H84.2Confident88Confident104 Ų10416.3 Ų16.348%0.4819%0.089SC..Hα-helixtrans-76.6-35.2-177.8-176.472.7000113.1L545 K611 I612 M613L545-H615 HydrophobicContact CD1-CB 4.44Å; K611-H615 WeakPolarHBondContact O-CB 3.16Å; K611-H615 PolarHBondContact O-N 2.84Å; I612-H615 PolarHBondContact O-N 3.37Å; M613-H615 VanDerWaalsContact C-N 3.33Å; M613-H615 PolarHBondContact O-N 2.6Å
616L86.1Confident88.7Confident6 Ų615.9 Ų15.93%0.0319%0.085CC..Hα-helixtrans-66.1-40.8-178.1-70170.7000112.4W524 I612 F771 L772 K775 C777W524-L616 HydrophobicContact CE3-CD1 3.5Å; W524-L616 HydrophobicContact CH2-CD1 4.49Å; W524-L616 HydrophobicContact CZ3-CD1 3.28Å; I612-L616 HydrophobicContact CG2-CD1 3.8Å; I612-L616 HydrophobicContact CG2-CG 4.23Å; I612-L616 WeakPolarHBondContact O-CG 3.47Å; I612-L616 PolarHBondContact O-N 2.87Å; L616-F771 VanDerWaalsContact O-CZ 3.31Å; L616-F771 WeakPolarHBondContact O-CZ 3.24Å; L616-L772 HydrophobicContact CD1-CD2 3.98Å; L616-L772 HydrophobicContact CD2-CD2 4.25Å; L616-K775 HydrophobicContact CD2-CB 3.72Å; L616-K775 HydrophobicContact CD2-CG 4.27Å; L616-K775 WeakPolarHBondContact O-CE 3.45Å; L616-C777 HydrophobicContact CD2-CB 3.59Å
617G86.1Confident89.1Confident19 Ų1915.9 Ų15.920%0.1969%0.085CC..  trans81.1174.6-172.200000113.1
618P91.5Very high89.6Confident23 Ų2314.4 Ų14.415%0.1498%0.078CC..  trans-78.8145.2-172.631.4-36.2000113N624 F932 A939 V940P618-N624 WeakPolarHBondContact CA-OD1 3.47Å; P618-F932 HydrophobicContact CB-CE1 4.25Å; P618-F932 HydrophobicContact CB-CZ 4.15Å; P618-A939 HydrophobicContact CB-CB 3.92Å; P618-V940 HydrophobicContact CB-CG2 4.17Å; P618-V940 HydrophobicContact CG-CG2 4.07Å
619H93.6Very high90.1Very high23 Ų2314.2 Ų14.211%0.1068%0.076CC..  trans-148.2146.2171-176.3-94.5000110.6N621 I622 N624 F771H619-N621 VanDerWaalsContact C-N 3.32Å; H619-N621 PolarHBondContact ND1-N 3.5Å; H619-N621 VanDerWaalsContact ND1-N 3.13Å; H619-N621 PolarHBondContact O-N 3.41Å; H619-I622 HydrophobicContact CB-CB 4.24Å; H619-I622 HydrophobicContact CB-CG1 3.9Å; H619-I622 PolarHBondContact O-N 2.85Å; H619-N624 PolarHBondContact N-OD1 3.21Å; H619-N624 PolarHBondContact O-ND2 2.95Å; H619-N624 PolarHBondContact O-OD1 3.3Å; H619-F771 HydrophobicContact CB-CD1 3.63Å; H619-F771 HydrophobicContact CB-CD2 4.07Å; H619-F771 HydrophobicContact CB-CE1 3.69Å; H619-F771 HydrophobicContact CB-CE2 4.12Å; H619-F771 HydrophobicContact CB-CG 3.81Å; H619-F771 HydrophobicContact CB-CZ 3.92Å; H619-F771 AromaticContact CD2-CD2 3.71Å; H619-F771 AromaticContact CD2-CG 3.62Å; H619-F771 AromaticContact CG-CD1 3.89Å; H619-F771 AromaticContact CG-CG 3.66Å
620L93.3Very high90.4Very high10 Ų1015.5 Ų15.55%0.0529%0.085CC..THydrogen-bonded Turntrans-56.5-45-175.7-179.763.8000112.3I794 K796 Y925 V928 N929 F932L620-I794 HydrophobicContact CD1-CG2 4.17Å; L620-I794 HydrophobicContact CG-CG2 4.19Å; L620-K796 PolarHBondContact O-NZ 2.91Å; L620-Y925 HydrophobicContact CD2-CD2 4.43Å; L620-Y925 HydrophobicContact CD2-CE2 3.82Å; L620-V928 HydrophobicContact CD1-CG1 4.37Å; L620-V928 HydrophobicContact CD2-CG1 3.96Å; L620-N929 HydrophobicContact CD2-CB 4.01Å; L620-F932 HydrophobicContact CB-CD1 4.24Å; L620-F932 HydrophobicContact CD1-CB 4.09Å; L620-F932 HydrophobicContact CD1-CD2 4.34Å; L620-F932 HydrophobicContact CD1-CG 4.09Å
621N96.3Very high90.1Very high0 Ų022.5 Ų22.50%012%0.115CC..THydrogen-bonded Turntrans-95.121.1-178.3-56.6125000115.3H619 Q764 V795 K796 I797 Y925H619-N621 VanDerWaalsContact C-N 3.32Å; H619-N621 PolarHBondContact ND1-N 3.5Å; H619-N621 VanDerWaalsContact ND1-N 3.13Å; H619-N621 PolarHBondContact O-N 3.41Å; N621-Q764 WeakPolarHBondContact CB-O 3.5Å; N621-Q764 PolarHBondContact ND2-OE1 2.96Å; N621-Q764 PolarHBondContact OD1-O 3.01Å; N621-V795 VanDerWaalsContact CA-O 3.27Å; N621-V795 WeakPolarHBondContact CA-O 3.26Å; N621-V795 WeakPolarHBondContact CB-O 3.43Å; N621-V795 PolarHBondContact ND2-O 3.38Å; N621-K796 WeakPolarHBondContact O-CA 3.36Å; N621-I797 PolarHBondContact O-N 3.19Å; N621-Y925 WeakPolarHBondContact OD1-CE2 3.33Å; N621-Y925 PolarHBondContact OD1-OH 2.84Å
622I94.4Very high89.5Confident7 Ų725.9 Ų25.94%0.03614%0.142CC..BIsolated β-bridgetrans-116.3144.5167.3-58.3-60.6000107.4W524 H619 N624 F771 L772 I797W524-I622 HydrophobicContact CH2-CG2 4.08Å; H619-I622 HydrophobicContact CB-CB 4.24Å; H619-I622 HydrophobicContact CB-CG1 3.9Å; H619-I622 PolarHBondContact O-N 2.85Å; I622-N624 PolarHBondContact O-N 2.87Å; I622-N624 VanDerWaalsContact O-N 3.09Å; I622-N624 PolarHBondContact O-ND2 3.09Å; I622-F771 HydrophobicContact CG1-CD1 3.86Å; I622-F771 HydrophobicContact CG1-CE1 4.22Å; I622-L772 HydrophobicContact CD1-CD1 4.02Å; I622-L772 HydrophobicContact CD1-CD2 4.13Å; I622-L772 HydrophobicContact CD1-CG 3.9Å; I622-I797 HydrophobicContact CD1-CB 3.87Å; I622-I797 HydrophobicContact CD1-CD1 4.25Å; I622-I797 HydrophobicContact CD1-CG1 4.43Å
623V93.4Very high89.5Confident8 Ų828.4 Ų28.45%0.04817%0.169CC..  trans-68.1107.7169.8173.20000108.2M613 E640 L788 K796 I797 C798M613-V623 VanDerWaalsContact CE-O 3.29Å; M613-V623 WeakPolarHBondContact CE-O 2.91Å; V623-E640 HydrophobicContact CG1-CB 4.48Å; V623-L788 HydrophobicContact CG2-CD1 3.84Å; V623-L788 HydrophobicContact CG2-CG 4.46Å; V623-K796 HydrophobicContact CG2-CB 3.57Å; V623-I797 PolarHBondContact N-O 2.72Å; V623-C798 HydrophobicContact CB-CB 3.9Å; V623-C798 HydrophobicContact CG2-CB 3.61Å
624N93.1Very high89.5Confident4 Ų430.6 Ų30.62%0.02119%0.185CC..  trans-80.5146.9-171-62.3-65.3000112.6P618 H619 I622 T639 E640 F932 A939P618-N624 WeakPolarHBondContact CA-OD1 3.47Å; H619-N624 PolarHBondContact N-OD1 3.21Å; H619-N624 PolarHBondContact O-ND2 2.95Å; H619-N624 PolarHBondContact O-OD1 3.3Å; I622-N624 PolarHBondContact O-N 2.87Å; I622-N624 VanDerWaalsContact O-N 3.09Å; I622-N624 PolarHBondContact O-ND2 3.09Å; N624-T639 VanDerWaalsContact O-CA 3.29Å; N624-T639 WeakPolarHBondContact O-CA 3.43Å; N624-T639 WeakPolarHBondContact O-CB 3.3Å; N624-E640 HydrophobicContact CB-CG 4.11Å; N624-E640 PolarHBondContact N-OE2 3.16Å; N624-E640 VanDerWaalsContact ND2-CD 3.34Å; N624-E640 PolarHBondContact ND2-OE1 2.86Å; N624-E640 PolarHBondContact ND2-OE2 2.93Å; N624-E640 PolarHBondContact O-N 2.82Å; N624-E640 VanDerWaalsContact O-N 3.12Å; N624-F932 VanDerWaalsContact ND2-CZ 3.35Å; N624-F932 WeakPolarHBondContact ND2-CZ 3.37Å; N624-A939 HydrophobicContact CB-CB 3.77Å
625L93.3Very high89.7Confident6 Ų631.1 Ų31.13%0.03119%0.187CC..EExtended strand (participates in β ladder)trans-70.9133.9166.9-177.668000109.2W551 L610 M613 T614 G627 I637 A939W551-L625 HydrophobicContact CD2-CD2 3.62Å; W551-L625 HydrophobicContact CD2-CG 4.27Å; W551-L625 HydrophobicContact CE3-CB 4.43Å; W551-L625 HydrophobicContact CE3-CD2 3.51Å; W551-L625 HydrophobicContact CE3-CG 3.63Å; W551-L625 HydrophobicContact CG-CD2 4.15Å; W551-L625 HydrophobicContact CH2-CB 4.34Å; W551-L625 HydrophobicContact CH2-CD2 4.24Å; W551-L625 HydrophobicContact CH2-CG 4.38Å; W551-L625 HydrophobicContact CZ2-CD2 4.35Å; W551-L625 HydrophobicContact CZ3-CB 4.01Å; W551-L625 HydrophobicContact CZ3-CD2 3.86Å; W551-L625 HydrophobicContact CZ3-CG 3.71Å; W551-L625 WeakPolarHBondContact CZ3-O 3.42Å; L610-L625 HydrophobicContact CD1-CD1 3.71Å; L610-L625 HydrophobicContact CD1-CD2 3.65Å; L610-L625 HydrophobicContact CD1-CG 4.35Å; M613-L625 HydrophobicContact CB-CB 4.17Å; M613-L625 HydrophobicContact CB-CD2 4.32Å; M613-L625 HydrophobicContact CE-CB 4.08Å; T614-L625 HydrophobicContact CG2-CD2 3.45Å; T614-L625 VanDerWaalsContact CG2-CD2 3.45Å; L625-G627 WeakPolarHBondContact CD1-O 3.3Å; L625-I637 HydrophobicContact CD1-CG2 3.51Å; L625-A939 WeakPolarHBondContact O-CB 3.45Å
626L92.4Very high90.1Very high1 Ų126.8 Ų26.81%0.00517%0.166CC..EExtended strand (participates in β ladder)trans-112.3-28.8176.4-51.9178.1000112.1L580 M587 V589 I638 E640 H937 P938 A939 R942L580-L626 HydrophobicContact CD2-CB 3.68Å; L580-L626 HydrophobicContact CD2-CD1 3.93Å; L580-L626 HydrophobicContact CD2-CG 4.44Å; L580-L626 HydrophobicContact CG-CB 4.45Å; M587-L626 HydrophobicContact SD-CD1 3.96Å; V589-L626 HydrophobicContact CG1-CD1 3.74Å; L626-I638 HydrophobicContact CB-CG2 4.43Å; L626-I638 PolarHBondContact N-O 2.87Å; L626-E640 HydrophobicContact CD1-CG 4.32Å; L626-E640 HydrophobicContact CD2-CG 3.9Å; L626-E640 HydrophobicContact CG-CG 4.29Å; L626-H937 WeakPolarHBondContact CD2-CE1 3.49Å; L626-P938 HydrophobicContact CB-CB 4.21Å; L626-P938 HydrophobicContact CD2-CB 3.93Å; L626-P938 HydrophobicContact CD2-CG 4.34Å; L626-A939 HydrophobicContact CD2-CB 4.3Å; L626-R942 PolarHBondContact O-NH1 3Å
627G92Very high90.4Very high0 Ų026.5 Ų26.50%016%0.164CC..EExtended strand (participates in β ladder)trans178.6178.1178.600000112.3W551 L625 I638W551-G627 CarbonylContact O-C 3.6Å; W551-G627 VanDerWaalsContact O-CA 3.28Å; W551-G627 WeakPolarHBondContact O-CA 3.33Å; L625-G627 WeakPolarHBondContact CD1-O 3.3Å; G627-I638 PolarHBondContact N-O 3.5Å; G627-I638 WeakPolarHBondContact O-CA 2.85Å; G627-I638 VanDerWaalsContact O-CB 3.31Å; G627-I638 WeakPolarHBondContact O-CB 3.37Å; G627-I638 PolarHBondContact O-N 3.41Å
628A94.2Very high90.8Very high0 Ų025.6 Ų25.60%016%0.155CC..EExtended strand (participates in β ladder)trans-150.3154.7176.100000111.1W551 E552 F553 L610 T630 Y636W551-A628 PolarHBondContact O-N 3.14Å; E552-A628 CarbonylContact C-O 3.45Å; E552-A628 VanDerWaalsContact CA-O 3.29Å; E552-A628 WeakPolarHBondContact CA-O 3.43Å; F553-A628 PolarHBondContact N-O 2.93Å; L610-A628 HydrophobicContact CD1-CB 3.72Å; L610-A628 HydrophobicContact CD2-CB 3.58Å; L610-A628 HydrophobicContact CG-CB 4.33Å; A628-T630 HydrophobicContact CB-CG2 4.13Å; A628-Y636 CarbonylContact C-O 3.57Å; A628-Y636 WeakPolarHBondContact CA-O 3.3Å; A628-Y636 WeakPolarHBondContact CB-O 3.2Å
629C93.3Very high90.9Very high2 Ų224.7 Ų24.71%0.01415%0.149CC..EExtended strand (participates in β ladder)trans-119.1108.1172.6-49.70000107.8F553 I635 Y636F553-C629 PolarHBondContact O-SG 3Å; C629-I635 WeakPolarHBondContact O-CA 3.18Å; C629-Y636 HydrophobicContact CB-CD2 4.48Å; C629-Y636 PolarHBondContact N-O 3.24Å; C629-Y636 PolarHBondContact O-N 3.4Å
630T90.7Very high90.8Very high37 Ų3724.3 Ų24.323%0.22715%0.148CC..  trans-122.7-20.9-171.372.10000114Y547 E552 M607 L610 A628Y547-T630 HydrophobicContact CE1-CG2 4.06Å; E552-T630 PolarHBondContact OE1-N 2.79Å; E552-T630 PolarHBondContact OE2-N 2.76Å; E552-T630 PolarHBondContact OE2-OG1 2.72Å; M607-T630 HydrophobicContact CE-CG2 4.2Å; M607-T630 HydrophobicContact SD-CG2 4.28Å; L610-T630 HydrophobicContact CD2-CG2 3.82Å; A628-T630 HydrophobicContact CB-CG2 4.13Å
631K80.9Confident90.8Very high147 Ų14725.4 Ų25.464%0.63915%0.151SC*.SBendtrans-81.4-47.9-170.2-66.6177.4-176.2175.60115.2E552E552-K631 HydrophobicContact CG-CD 3.97Å; E552-K631 HydrophobicContact CG-CG 4.31Å; E552-K631 PolarHBondContact OE1-N 3.49Å; E552-K631 VanDerWaalsContact OE1-N 3.08Å
632S74.3Confident90.5Very high97 Ų9725.9 Ų25.968%0.67816%0.155SC*.SBendtrans-131.1101.7-173-53.70000110.9R555R555-S632 PolarHBondContact NE-O 3.31Å; R555-S632 PolarHBondContact NH2-O 3.37Å
633G83.6Confident90Very high56 Ų5631.6 Ų31.658%0.57718%0.179SC*.SBendtrans107.8-164.518000000114.5
634P87.3Confident89.6Confident67 Ų6733.9 Ų33.944%0.43519%0.189SC..SBendtrans-65.9143.2-179.426.8-33.8000111.9R555 Y636R555-P634 PolarHBondContact NH1-O 2.8Å; R555-P634 PolarHBondContact NH2-O 3.07Å; P634-Y636 HydrophobicContact CB-CE1 3.96Å; P634-Y636 HydrophobicContact CG-CE1 3.63Å; P634-Y636 PolarHBondContact O-N 3.36Å
635I89.4Confident89.4Confident37 Ų3734.9 Ų34.919%0.1920%0.201CC..  trans-66.6121.9179.5-58.3172.2000109.2L606 C629L606-I635 HydrophobicContact CD2-CB 3.89Å; L606-I635 HydrophobicContact CD2-CG2 3.69Å; L606-I635 HydrophobicContact CG-CG2 4.28Å; C629-I635 WeakPolarHBondContact O-CA 3.18Å
636Y93.3Very high89.2Confident12 Ų1234.9 Ų34.95%0.04720%0.201CC..EExtended strand (participates in β ladder)trans-115.1131.2173.1-66.1-13.9000110.1R555 L558 L560 V591 K592 M593 A628 C629 P634R555-Y636 HydrophobicContact CG-CE2 4.49Å; R555-Y636 VanDerWaalsContact NH1-CZ 3.27Å; L558-Y636 HydrophobicContact CD2-CD2 3.85Å; L560-Y636 HydrophobicContact CD1-CE2 3.99Å; L560-Y636 HydrophobicContact CD2-CE2 4.32Å; V591-Y636 HydrophobicContact CG1-CD1 4.36Å; V591-Y636 HydrophobicContact CG1-CD2 4.17Å; V591-Y636 HydrophobicContact CG1-CG 3.87Å; K592-Y636 WeakPolarHBondContact O-CA 3.25Å; M593-Y636 HydrophobicContact CB-CD1 3.58Å; M593-Y636 HydrophobicContact CB-CE1 3.7Å; M593-Y636 HydrophobicContact CE-CD1 3.92Å; M593-Y636 HydrophobicContact CE-CE1 3.61Å; M593-Y636 HydrophobicContact CE-CE2 4.44Å; M593-Y636 HydrophobicContact CG-CE1 4.37Å; M593-Y636 HydrophobicContact SD-CD1 4.46Å; M593-Y636 HydrophobicContact SD-CE1 3.8Å; A628-Y636 CarbonylContact C-O 3.57Å; A628-Y636 WeakPolarHBondContact CA-O 3.3Å; A628-Y636 WeakPolarHBondContact CB-O 3.2Å; C629-Y636 HydrophobicContact CB-CD2 4.48Å; C629-Y636 PolarHBondContact N-O 3.24Å; C629-Y636 PolarHBondContact O-N 3.4Å; P634-Y636 HydrophobicContact CB-CE1 3.96Å; P634-Y636 HydrophobicContact CG-CE1 3.63Å; P634-Y636 PolarHBondContact O-N 3.36Å
637I92.9Very high89.2Confident0 Ų034.9 Ų34.90%020%0.2CC..EExtended strand (participates in β ladder)trans-105.4120.6167.9-54.6-177.7000107.2V591 K592 L606 E609 L610 M613 L625 T639V591-I637 CarbonylContact C-O 3.52Å; V591-I637 WeakPolarHBondContact CA-O 3.05Å; K592-I637 HydrophobicContact CB-CB 4.24Å; K592-I637 PolarHBondContact N-O 3.5Å; K592-I637 PolarHBondContact O-N 3.12Å; L606-I637 HydrophobicContact CD1-CD1 3.39Å; L606-I637 HydrophobicContact CD1-CG1 4Å; L606-I637 HydrophobicContact CG-CD1 3.8Å; L606-I637 HydrophobicContact CG-CG1 4.21Å; L606-I637 WeakPolarHBondContact O-CD1 3.48Å; E609-I637 HydrophobicContact CB-CD1 4.42Å; E609-I637 HydrophobicContact CG-CD1 4.47Å; L610-I637 HydrophobicContact CB-CD1 3.87Å; L610-I637 HydrophobicContact CB-CG1 4.26Å; L610-I637 HydrophobicContact CD1-CG2 4.38Å; M613-I637 HydrophobicContact SD-CG2 4.36Å; L625-I637 HydrophobicContact CD1-CG2 3.51Å; I637-T639 HydrophobicContact CG2-CG2 3.93Å
638I93.9Very high89Confident0 Ų034.9 Ų34.90%020%0.201CC..EExtended strand (participates in β ladder)trans-101.6116.6-177.5-49.8171.4000107.9F553 L558 L580 V589 L626 G627F553-I638 HydrophobicContact CB-CD1 3.88Å; F553-I638 HydrophobicContact CD1-CD1 3.65Å; F553-I638 HydrophobicContact CG-CD1 3.99Å; L558-I638 HydrophobicContact CD1-CD1 4.45Å; L558-I638 HydrophobicContact CD2-CD1 3.96Å; L558-I638 HydrophobicContact CD2-CG1 4.17Å; L580-I638 HydrophobicContact CD2-CG2 4.44Å; V589-I638 HydrophobicContact CB-CG2 3.63Å; V589-I638 HydrophobicContact CG1-CG2 3.83Å; V589-I638 HydrophobicContact CG2-CG2 3.7Å; L626-I638 HydrophobicContact CB-CG2 4.43Å; L626-I638 PolarHBondContact N-O 2.87Å; G627-I638 PolarHBondContact N-O 3.5Å; G627-I638 WeakPolarHBondContact O-CA 2.85Å; G627-I638 VanDerWaalsContact O-CB 3.31Å; G627-I638 WeakPolarHBondContact O-CB 3.37Å; G627-I638 PolarHBondContact O-N 3.41Å
639T93.9Very high88.6Confident4 Ų437 Ų373%0.02521%0.212CC..EExtended strand (participates in β ladder)trans-123.1170.5-178.767.20000111.5A590 M613 N624 I637A590-T639 PolarHBondContact N-O 3.39Å; A590-T639 PolarHBondContact O-N 2.85Å; A590-T639 PolarHBondContact O-OG1 3.21Å; M613-T639 HydrophobicContact CE-CG2 3.87Å; M613-T639 HydrophobicContact SD-CG2 4.43Å; N624-T639 VanDerWaalsContact O-CA 3.29Å; N624-T639 WeakPolarHBondContact O-CA 3.43Å; N624-T639 WeakPolarHBondContact O-CB 3.3Å; I637-T639 HydrophobicContact CG2-CG2 3.93Å
640E92.1Very high88.5Confident16 Ų1638.4 Ų38.48%0.07522%0.217CC..EExtended strand (participates in β ladder)trans-54.5143.4171.1-66.2171.2154.600111.6V623 N624 L626 K796 H937V623-E640 HydrophobicContact CG1-CB 4.48Å; N624-E640 HydrophobicContact CB-CG 4.11Å; N624-E640 PolarHBondContact N-OE2 3.16Å; N624-E640 VanDerWaalsContact ND2-CD 3.34Å; N624-E640 PolarHBondContact ND2-OE1 2.86Å; N624-E640 PolarHBondContact ND2-OE2 2.93Å; N624-E640 PolarHBondContact O-N 2.82Å; N624-E640 VanDerWaalsContact O-N 3.12Å; L626-E640 HydrophobicContact CD1-CG 4.32Å; L626-E640 HydrophobicContact CD2-CG 3.9Å; L626-E640 HydrophobicContact CG-CG 4.29Å; E640-K796 VanDerWaalsContact CD-NZ 3.28Å; E640-K796 IonicContact OE1-NZ 3.43Å; E640-K796 PolarHBondContact OE1-NZ 2.83Å; E640-K796 WeakPolarHBondContact OE2-CD 3.45Å; E640-K796 VanDerWaalsContact OE2-CE 3.25Å; E640-K796 WeakPolarHBondContact OE2-CE 3.43Å; E640-K796 IonicContact OE2-NZ 3.6Å; E640-K796 PolarHBondContact OE2-NZ 3.12Å; E640-H937 IonicContact OE1-CE1 3.49Å; E640-H937 PolarHBondContact OE1-CE1 3.36Å; E640-H937 IonicContact OE1-NE2 2.85Å; E640-H937 PolarHBondContact OE1-NE2 3.27Å
641Y91.4Very high88.5Confident33 Ų3336.6 Ų36.613%0.12921%0.206CC..  trans-93.2123.7171.9176.9-109.7000109.7R562 L564 E574 K588 F643R562-Y641 PolarHBondContact NH2-OH 3.46Å; L564-Y641 HydrophobicContact CD1-CD2 3.85Å; L564-Y641 HydrophobicContact CD1-CE2 3.71Å; L564-Y641 HydrophobicContact CD2-CE2 3.89Å; L564-Y641 HydrophobicContact CG-CE2 4.47Å; E574-Y641 HydrophobicContact CG-CD2 4.49Å; E574-Y641 HydrophobicContact CG-CE2 4.27Å; K588-Y641 HydrophobicContact CB-CD1 4.2Å; K588-Y641 HydrophobicContact CB-CG 4.46Å; K588-Y641 HydrophobicContact CD-CD1 4.4Å; K588-Y641 HydrophobicContact CD-CE1 4.42Å; Y641-F643 HydrophobicContact CE1-CB 4.33Å; Y641-F643 HydrophobicContact CE1-CD2 4.19Å
642C90.3Very high88.8Confident10 Ų1032.7 Ų32.77%0.06819%0.19CC..  trans-102.3109.6176.6-62.90000110.3H644 G645 L788 L789C642-H644 PolarHBondContact O-N 2.67Å; C642-G645 PolarHBondContact O-N 2.94Å; C642-L788 HydrophobicContact CB-CB 3.61Å; C642-L788 HydrophobicContact CB-CD1 3.71Å; C642-L788 HydrophobicContact CB-CG 4.28Å; C642-L789 CarbonylContact C-O 3.54Å
643F84.9Confident89.3Confident126 Ų12636.6 Ų36.655%0.55320%0.195SC*.THydrogen-bonded Turntrans-59.7-39.6-168.6-179.6-99.2000114.6Y641 G645Y641-F643 HydrophobicContact CE1-CB 4.33Å; Y641-F643 HydrophobicContact CE1-CD2 4.19Å; F643-G645 VanDerWaalsContact C-N 3.34Å; F643-G645 PolarHBondContact O-N 3.38Å
644H84.3Confident89.4Confident57 Ų5735.4 Ų35.426%0.26418%0.175SC..THydrogen-bonded Turntrans-87.10.2-174-61.8-75.3000114.1C642 Y650 L789 S790C642-H644 PolarHBondContact O-N 2.67Å; H644-Y650 HydrophobicContact CB-CD2 3.96Å; H644-Y650 HydrophobicContact CB-CE2 4.27Å; H644-L789 HydrophobicContact CB-CB 3.9Å; H644-L789 HydrophobicContact CB-CD2 3.95Å; H644-L789 HydrophobicContact CB-CG 4.14Å; H644-L789 WeakPolarHBondContact CB-O 3.28Å; H644-L789 PolarHBondContact N-O 2.87Å; H644-S790 PolarHBondContact CD2-O 3.16Å
645G89Confident89.3Confident25 Ų2538.8 Ų38.826%0.25818%0.179SC..  trans75-155.1-17900000113.1C642 F643 L788 L789C642-G645 PolarHBondContact O-N 2.94Å; F643-G645 VanDerWaalsContact C-N 3.34Å; F643-G645 PolarHBondContact O-N 3.38Å; G645-L788 CarbonylContact O-C 3.48Å; G645-L788 VanDerWaalsContact O-CA 3.29Å; G645-L788 WeakPolarHBondContact O-CA 3.31Å; G645-L789 PolarHBondContact O-N 2.94Å
646D89.3Confident88.7Confident6 Ų646.5 Ų46.53%0.03222%0.215CC..BIsolated β-bridgetrans-79.9153.9-179.568.795.9000113.2V648 N649 Y650 V787 L788D646-V648 VanDerWaalsContact C-N 3.33Å; D646-V648 PolarHBondContact O-N 2.85Å; D646-V648 WeakPolarHBondContact OD1-CB 3.49Å; D646-V648 PolarHBondContact OD1-N 2.72Å; D646-N649 PolarHBondContact O-N 2.82Å; D646-N649 PolarHBondContact OD1-N 3.42Å; D646-N649 VanDerWaalsContact OD1-N 3.09Å; D646-N649 PolarHBondContact OD1-ND2 3.06Å; D646-N649 PolarHBondContact OD2-ND2 2.63Å; D646-Y650 PolarHBondContact O-N 3.41Å; D646-V787 CarbonylContact C-O 3.57Å; D646-V787 WeakPolarHBondContact CA-O 3.33Å; D646-L788 HydrophobicContact CB-CD2 3.97Å
647L91.9Very high87.8Confident0 Ų047.9 Ų47.90%023%0.226CC..Hα-helixtrans-68.7-29.1-172.1-172.261.4000112.7Y650 L651 F761 A784 V787 I851L647-Y650 HydrophobicContact CD1-CD1 4.44Å; L647-Y650 PolarHBondContact O-N 2.75Å; L647-L651 HydrophobicContact CD1-CD1 4.44Å; L647-L651 HydrophobicContact CD1-CG 4.2Å; L647-L651 HydrophobicContact CG-CD1 3.98Å; L647-L651 HydrophobicContact CG-CG 4.22Å; L647-L651 WeakPolarHBondContact O-CB 3.45Å; L647-L651 WeakPolarHBondContact O-CG 3.06Å; L647-L651 PolarHBondContact O-N 3.27Å; L647-F761 HydrophobicContact CD1-CD2 3.82Å; L647-F761 HydrophobicContact CD1-CE2 3.93Å; L647-F761 HydrophobicContact CD1-CG 4.3Å; L647-A784 WeakPolarHBondContact CB-O 3.28Å; L647-V787 HydrophobicContact CB-CB 4.13Å; L647-V787 HydrophobicContact CB-CG1 4.3Å; L647-V787 WeakPolarHBondContact CB-O 3.43Å; L647-V787 HydrophobicContact CD2-CB 4.22Å; L647-V787 HydrophobicContact CD2-CG1 3.97Å; L647-V787 PolarHBondContact N-O 3.06Å; L647-I851 HydrophobicContact CD2-CD1 4.16Å; L647-I851 HydrophobicContact CD2-CG1 4.04Å
648V88.3Confident87.3Confident1 Ų149.2 Ų49.21%0.00623%0.232CC..Hα-helixtrans-63.4-53177.31760000109.7D646 Y650 L651 H652 Y696 A784 R785D646-V648 VanDerWaalsContact C-N 3.33Å; D646-V648 PolarHBondContact O-N 2.85Å; D646-V648 WeakPolarHBondContact OD1-CB 3.49Å; D646-V648 PolarHBondContact OD1-N 2.72Å; V648-Y650 VanDerWaalsContact C-N 3.29Å; V648-Y650 PolarHBondContact O-N 3.11Å; V648-L651 PolarHBondContact O-N 2.83Å; V648-H652 PolarHBondContact O-N 2.96Å; V648-Y696 HydrophobicContact CB-CD1 4.42Å; V648-Y696 HydrophobicContact CB-CE1 4.11Å; V648-Y696 HydrophobicContact CG1-CD1 3.68Å; V648-Y696 HydrophobicContact CG1-CD2 4.14Å; V648-Y696 HydrophobicContact CG1-CE1 3.84Å; V648-Y696 HydrophobicContact CG1-CE2 4.32Å; V648-Y696 HydrophobicContact CG1-CG 3.89Å; V648-Y696 HydrophobicContact CG2-CE1 4.39Å; V648-Y696 HydrophobicContact CG2-CE2 4.42Å; V648-A784 HydrophobicContact CG2-CB 3.43Å; V648-A784 VanDerWaalsContact CG2-CB 3.43Å; V648-R785 HydrophobicContact CG2-CB 4.25Å
649N86.1Confident86.3Confident45 Ų4554.7 Ų54.724%0.24126%0.261CS..Hα-helixtrans-63.2-37.7179.8-74-25.4000111.9D646 H652 K653D646-N649 PolarHBondContact O-N 2.82Å; D646-N649 PolarHBondContact OD1-N 3.42Å; D646-N649 VanDerWaalsContact OD1-N 3.09Å; D646-N649 PolarHBondContact OD1-ND2 3.06Å; D646-N649 PolarHBondContact OD2-ND2 2.63Å; N649-H652 PolarHBondContact O-N 3.07Å; N649-K653 WeakPolarHBondContact O-CB 2.95Å; N649-K653 PolarHBondContact O-N 3.41Å
650Y89.9Confident84.6Confident30 Ų3058 Ų5812%0.11828%0.284CS..Hα-helixtrans-62.8-44.2174.4-174.6-93.6000112.4H644 D646 L647 V648 K653 N654 L753 F761 L789H644-Y650 HydrophobicContact CB-CD2 3.96Å; H644-Y650 HydrophobicContact CB-CE2 4.27Å; D646-Y650 PolarHBondContact O-N 3.41Å; L647-Y650 HydrophobicContact CD1-CD1 4.44Å; L647-Y650 PolarHBondContact O-N 2.75Å; V648-Y650 VanDerWaalsContact C-N 3.29Å; V648-Y650 PolarHBondContact O-N 3.11Å; Y650-K653 PolarHBondContact O-N 3.47Å; Y650-N654 PolarHBondContact O-N 3.01Å; Y650-N654 PolarHBondContact O-ND2 2.93Å; Y650-L753 HydrophobicContact CE1-CD1 4.19Å; Y650-F761 HydrophobicContact CE1-CE2 4.32Å; Y650-F761 HydrophobicContact CE1-CZ 4.04Å; Y650-L789 HydrophobicContact CD1-CD2 3.73Å; Y650-L789 HydrophobicContact CD2-CD2 3.62Å; Y650-L789 HydrophobicContact CE1-CD2 3.64Å; Y650-L789 HydrophobicContact CE2-CD2 3.52Å; Y650-L789 HydrophobicContact CG-CD2 3.72Å
651L90.8Very high82.3Confident0 Ų063.7 Ų63.70%031%0.314CS..Hα-helixtrans-66.9-40.6178.1-70170000111.9L647 V648 N654 R655 L753 L758 F761 I851 L854L647-L651 HydrophobicContact CD1-CD1 4.44Å; L647-L651 HydrophobicContact CD1-CG 4.2Å; L647-L651 HydrophobicContact CG-CD1 3.98Å; L647-L651 HydrophobicContact CG-CG 4.22Å; L647-L651 WeakPolarHBondContact O-CB 3.45Å; L647-L651 WeakPolarHBondContact O-CG 3.06Å; L647-L651 PolarHBondContact O-N 3.27Å; V648-L651 PolarHBondContact O-N 2.83Å; L651-N654 CarbonylContact O-C 3.59Å; L651-N654 PolarHBondContact O-N 3.25Å; L651-R655 PolarHBondContact O-N 2.89Å; L651-L753 HydrophobicContact CD2-CD2 3.81Å; L651-L758 HydrophobicContact CD2-CD2 3.73Å; L651-F761 HydrophobicContact CD2-CE2 4.42Å; L651-I851 HydrophobicContact CD1-CG1 4.42Å; L651-L854 HydrophobicContact CD2-CD2 4.36Å
652H87.5Confident79.6Confident65 Ų6566.2 Ų66.230%0.30134%0.337SS..Hα-helixtrans-61-45.8174.9-74.5167.2000112V648 N649 N654 R655 L854 G855V648-H652 PolarHBondContact O-N 2.96Å; N649-H652 PolarHBondContact O-N 3.07Å; H652-N654 PolarHBondContact O-N 2.9Å; H652-R655 WeakPolarHBondContact O-CB 3.49Å; H652-R655 PolarHBondContact O-N 3.06Å; H652-L854 PolarHBondContact CD2-O 3.28Å; H652-G855 PolarHBondContact NE2-O 3.4Å
653K85.8Confident77Confident178 Ų17872 Ų7277%0.77437%0.374SS*.Hα-helixtrans-62.1-32-179.8-174.1178.2177.1-174.30112.6N649 Y650N649-K653 WeakPolarHBondContact O-CB 2.95Å; N649-K653 PolarHBondContact O-N 3.41Å; Y650-K653 PolarHBondContact O-N 3.47Å
654N85.7Confident74.4Confident31 Ų3174.7 Ų74.717%0.16639%0.388CS..THydrogen-bonded Turntrans-103.714.6-177.8-64-75.8000113.3Y650 L651 H652 S657 F658 L753Y650-N654 PolarHBondContact O-N 3.01Å; Y650-N654 PolarHBondContact O-ND2 2.93Å; L651-N654 CarbonylContact O-C 3.59Å; L651-N654 PolarHBondContact O-N 3.25Å; H652-N654 PolarHBondContact O-N 2.9Å; N654-S657 WeakPolarHBondContact CA-OG 3.48Å; N654-S657 PolarHBondContact O-N 3.02Å; N654-S657 PolarHBondContact O-OG 3.27Å; N654-F658 PolarHBondContact O-N 3.17Å; N654-L753 HydrophobicContact CB-CB 3.95Å; N654-L753 HydrophobicContact CB-CD2 4.08Å
655R85.4Confident71.9Confident138 Ų13881.6 Ų81.652%0.52142%0.417SS..SBendtrans-67-38.2-177.9-173.9175.3-178.1-164.7-0.2112.5L651 H652 L854L651-R655 PolarHBondContact O-N 2.89Å; H652-R655 WeakPolarHBondContact O-CB 3.49Å; H652-R655 PolarHBondContact O-N 3.06Å; R655-L854 HydrophobicContact CB-CB 4.43Å; R655-L854 HydrophobicContact CG-CB 4.01Å; R655-L854 HydrophobicContact CG-CD1 3.95Å
656E75.3Confident69Low200 Ų20088.1 Ų88.194%0.93545%0.446SS*.THydrogen-bonded Turntrans-79.1-21.3-179.6-62.3-171.6169.800113
657S75.6Confident66Low41 Ų4197.8 Ų97.829%0.28749%0.488SS..THydrogen-bonded Turntrans-95.514.417856.20000113.6N654 L659 L753N654-S657 WeakPolarHBondContact CA-OG 3.48Å; N654-S657 PolarHBondContact O-N 3.02Å; N654-S657 PolarHBondContact O-OG 3.27Å; S657-L659 PolarHBondContact O-N 3.07Å; S657-L753 PolarHBondContact O-N 3.23Å
658F82.3Confident63.2Low28 Ų28106.6 Ų106.612%0.12353%0.526CS..EExtended strand (participates in β ladder)trans-74.7120.2-178.2-176.7-104.8000112.1N654 L753 T755 L758 L854 H883N654-F658 PolarHBondContact O-N 3.17Å; F658-L753 WeakPolarHBondContact CA-O 3.28Å; F658-L753 HydrophobicContact CD2-CB 4.23Å; F658-L753 HydrophobicContact CD2-CD2 4.18Å; F658-L753 HydrophobicContact CD2-CG 4.04Å; F658-L753 WeakPolarHBondContact CD2-O 3.44Å; F658-T755 HydrophobicContact CE1-CG2 4.45Å; F658-T755 HydrophobicContact CE2-CG2 4.45Å; F658-T755 HydrophobicContact CZ-CG2 3.66Å; F658-L758 HydrophobicContact CE2-CD1 3.67Å; F658-L758 HydrophobicContact CE2-CG 4.13Å; F658-L758 HydrophobicContact CZ-CD1 3.95Å; F658-L854 HydrophobicContact CB-CD1 3.88Å; F658-L854 HydrophobicContact CD1-CD1 4.19Å; F658-L854 HydrophobicContact CD2-CD1 4.27Å; F658-L854 HydrophobicContact CD2-CD2 4Å; F658-L854 HydrophobicContact CE2-CD2 4.26Å; F658-L854 HydrophobicContact CG-CD1 3.85Å; F658-L854 HydrophobicContact CG-CD2 4.43Å; F658-H883 AromaticContact CD1-ND1 3.93Å; F658-H883 HydrophobicContact CE1-CB 3.99Å; F658-H883 AromaticContact CE1-CG 3.69Å; F658-H883 AromaticContact CE1-ND1 3.49Å; F658-H883 WeakPolarHBondContact CE1-ND1 3.39Å; F658-H883 HydrophobicContact CZ-CB 4.05Å
659L71.8Confident60.3Low115 Ų115116 Ų11660%0.60257%0.57SS**EExtended strand (participates in β ladder)trans-100.4103.1178.8-64.2172.6000109.9S657 L661 L753S657-L659 PolarHBondContact O-N 3.07Å; L659-L661 PolarHBondContact O-N 3.48Å; L659-L753 PolarHBondContact N-O 2.62Å
660S58.3Low57.6Low73 Ų73120.8 Ų120.851%0.5160%0.595SS.*  trans-79.1118.6175.7179.30000111.1S662S660-S662 PolarHBondContact O-N 3.29Å
661L45.6Very low54.8Low135 Ų135126.2 Ų126.271%0.70763%0.626SS**  trans-79.392.5164.7-83.3152.7000109.6L659L659-L661 PolarHBondContact O-N 3.48Å
662S33.9Very low51.9Low87 Ų87134.2 Ų134.261%0.60867%0.667SS**  trans-147.9118152.661.10000112.3S660S660-S662 PolarHBondContact O-N 3.29Å
663P35.5Very low49.3Very low130 Ų130141 Ų14184%0.84470%0.696SS**  trans-90.796.4163.232.4-24.5000108.8
664E29.9Very low46.5Very low184 Ų184136.1 Ų136.186%0.8670%0.697SS**  trans-121.3103.2163.7-78.1-162.3156.100111.7
665K31.3Very low43.7Very low201 Ų201141.9 Ų141.987%0.87473%0.726SS**  trans8.4115154.1-68.7175.7178173.10117.7K667K665-K667 PolarHBondContact O-N 2.93Å
666N28.3Very low41Very low162 Ų162142.6 Ų142.687%0.86674%0.74SS**  trans6.6110.3136.8-71.8-34.4000116.8
667K27.5Very low39.1Very low209 Ų209138.4 Ų138.491%0.90973%0.73SS**  trans-118.1108.3137.9-99-177.8176.8176.20109.1K665K665-K667 PolarHBondContact O-N 2.93Å
668K33.4Very low36.9Very low185 Ų185140.7 Ų140.780%0.80475%0.752SS**  trans-55.2137.4162.6-72.2174.4172.4177.20109.2
669E25.9Very low34.4Very low198 Ų198147.2 Ų147.293%0.92579%0.788SS**  trans-142.4128.9137-137167.8-164.800110
670L29.9Very low32.4Very low147 Ų147150.9 Ų150.977%0.7780%0.802SS**  trans-73.5159.4-179.1-100.380.3000111.5
671D31.5Very low31Very low143 Ų143154.6 Ų154.677%0.76582%0.816SS**  trans-27.3150.1160.9-63-44.7000117
672I30.7Very low30.1Very low168 Ų168153.6 Ų153.686%0.86282%0.82SS**  171.9130.4113.7-86.4156.3000111.2
673F32.3Very low29.8Very low207 Ų207160.9 Ų160.991%0.90884%0.835SS**  trans-51.1135.9165.8-87.6-100.7000113.2
674G25.7Very low29.2Very low76 Ų76159.8 Ų159.878%0.78483%0.83SS**  trans-177.195.7167.800000114.2
675I28.4Very low28.9Very low153 Ų153161.6 Ų161.679%0.78583%0.831SS**  trans-74.9132.9172.7-57.3168.4000109.4
676N28Very low28.6Very low153 Ų153157.5 Ų157.582%0.81882%0.822SS**  -174.4153.8120-102.1-13.8000115.4
677P35.8Very low28.5Very low111 Ų111157.6 Ų157.672%0.72182%0.821SS**  trans-104.5136.3-160.838.4-28.3000112.5
678A29.2Very low28.3Very low90 Ų90153.4 Ų153.474%0.74481%0.808SS**  trans-169.994.7156.700000108.5
679D29.1Very low27.9Very low164 Ų164150 Ų15088%0.87781%0.807SS**  164.9102.2125.6-88.9-13000110N681D679-N681 PolarHBondContact O-N 3Å
680E31.3Very low27.8Very low192 Ų192148.6 Ų148.690%0.89780%0.798SS**  trans-65.6113.5156-76-172.5141.100109
681N27.8Very low27.6Very low152 Ų152149.8 Ų149.881%0.81380%0.8SS**  178.6105.1117.6-121.9-12000110.5D679D679-N681 PolarHBondContact O-N 3Å
682S27.1Very low27.4Very low114 Ų114148 Ų14880%0.79780%0.798SS**SBendtrans171.297.8134.2-77.60000110.5
683R26.8Very low27.3Very low240 Ų240148.7 Ų148.791%0.90679%0.794SS**  trans42.794.7150.1-72.5177.6130.8110.1-2.8117.1Y685R683-Y685 PolarHBondContact O-N 2.01Å
684S22.4Very low27.4Very low107 Ų107141 Ų14175%0.74877%0.774SS**  trans-49.4122.4158.1-46.40000112.5
685Y24.7Very low27.6Very low222 Ų222143.2 Ų143.287%0.87177%0.768SS**  trans-121.2108.5132.7-79.9-78.8000106.6R683 I687R683-Y685 PolarHBondContact O-N 2.01Å; Y685-I687 PolarHBondContact O-N 3.08Å
686V25.7Very low28Very low115 Ų115137.1 Ų137.170%0.69774%0.735SS**  trans-61.9119.8169.1176.90000106.7L688V686-L688 HydrophobicContact CG1-CG 4.24Å; V686-L688 PolarHBondContact O-N 2.78Å
687I25.8Very low28.5Very low163 Ų163134.2 Ų134.284%0.83672%0.718SS**  trans-70.688.9164.5-62.4175.8000105.6Y685 S689Y685-I687 PolarHBondContact O-N 3.08Å; I687-S689 PolarHBondContact O-N 3Å
688L22.7Very low28.6Very low121 Ų121133.9 Ų133.963%0.63471%0.71SS**  trans-67.5114.3157.2-82.1158000105.8V686 F690V686-L688 HydrophobicContact CG1-CG 4.24Å; V686-L688 PolarHBondContact O-N 2.78Å; L688-F690 HydrophobicContact CB-CD2 4.05Å; L688-F690 HydrophobicContact CB-CE2 3.97Å; L688-F690 HydrophobicContact CD1-CE2 4.43Å; L688-F690 PolarHBondContact O-N 3.44Å
689S24.9Very low28.8Very low114 Ų114131.7 Ų131.780%0.79769%0.685SS**  trans-55.590.316145.30000108.5I687 E691I687-S689 PolarHBondContact O-N 3Å; S689-E691 PolarHBondContact O-N 3.15Å
690F23.6Very low28.9Very low169 Ų169131 Ų13174%0.74167%0.674SS**  trans-77.4115.2164-87.9-85.8000107.2L688 C692L688-F690 HydrophobicContact CB-CD2 4.05Å; L688-F690 HydrophobicContact CB-CE2 3.97Å; L688-F690 HydrophobicContact CD1-CE2 4.43Å; L688-F690 PolarHBondContact O-N 3.44Å; F690-C692 VanDerWaalsContact C-N 3.31Å; F690-C692 PolarHBondContact O-N 3.25Å
691E27.2Very low28.8Very low171 Ų171129.1 Ų129.180%0.79967%0.665SS**  trans-50.2102.3151-74.4172.8161.600107.5S689 K693S689-E691 PolarHBondContact O-N 3.15Å; E691-K693 PolarHBondContact O-N 2.92Å
692C27.2Very low28.8Very low107 Ų107123.5 Ų123.572%0.72364%0.639SS**  trans-67.888.5167.2-88.80000107.7F690 G694F690-C692 VanDerWaalsContact C-N 3.31Å; F690-C692 PolarHBondContact O-N 3.25Å; C692-G694 PolarHBondContact O-N 3.4Å
693K28.1Very low29Very low181 Ų181123.9 Ų123.979%0.78763%0.632SS**  trans-62.3114.9154.6-74.4-175.9176.4179.90106.5E691 D695E691-K693 PolarHBondContact O-N 2.92Å; K693-D695 PolarHBondContact O-N 3.25Å
694G34.2Very low29.2Very low46 Ų46116.7 Ų116.747%0.47461%0.612SS.*  trans-64.9126-177.700000110.9C692 Y696C692-G694 PolarHBondContact O-N 3.4Å; G694-Y696 PolarHBondContact O-N 3.06Å
695D29.8Very low29.4Very low123 Ų123115.8 Ų115.866%0.65860%0.602SS**  trans-74.542.6168.8-73.9-32.5000111.3K693K693-D695 PolarHBondContact O-N 3.25Å
696Y37Very low29.5Very low25 Ų25114 Ų11410%0.09860%0.602CS.*  trans-89.9108.6173-154.8-96.9000107.5V648 G694 D698 R785V648-Y696 HydrophobicContact CB-CD1 4.42Å; V648-Y696 HydrophobicContact CB-CE1 4.11Å; V648-Y696 HydrophobicContact CG1-CD1 3.68Å; V648-Y696 HydrophobicContact CG1-CD2 4.14Å; V648-Y696 HydrophobicContact CG1-CE1 3.84Å; V648-Y696 HydrophobicContact CG1-CE2 4.32Å; V648-Y696 HydrophobicContact CG1-CG 3.89Å; V648-Y696 HydrophobicContact CG2-CE1 4.39Å; V648-Y696 HydrophobicContact CG2-CE2 4.42Å; G694-Y696 PolarHBondContact O-N 3.06Å; Y696-D698 PolarHBondContact O-N 3.47Å; Y696-D698 VanDerWaalsContact O-N 3.16Å; Y696-R785 HydrophobicContact CE1-CB 4.48Å; Y696-R785 WeakPolarHBondContact OH-CB 3.41Å; Y696-R785 WeakPolarHBondContact OH-CD 3.36Å; Y696-R785 WeakPolarHBondContact OH-CG 3.27Å
697M37.4Very low29.5Very low92 Ų92116.7 Ų116.745%0.45360%0.601SS.*  trans-70.3112.6176-83.1-74.7-148.100109H808M697-H808 HydrophobicContact CE-CB 4.38Å
698D38.2Very low29.5Very low104 Ų104114.3 Ų114.356%0.55659%0.593SS**  trans-50147.7173.3-73.3-34.2000111.4Y696 K700Y696-D698 PolarHBondContact O-N 3.47Å; Y696-D698 VanDerWaalsContact O-N 3.16Å; D698-K700 PolarHBondContact O-N 2.9Å
699M32.9Very low29.7Very low44 Ų44113.8 Ų113.822%0.21760%0.597CS.*  trans-61.486.7161.5-162.1154.172.300107L564 Q701L564-M699 VanDerWaalsContact O-CE 3.31Å; L564-M699 WeakPolarHBondContact O-CE 3.35Å; M699-Q701 PolarHBondContact O-N 3.42Å
700K31.8Very low29.5Very low150 Ų150117 Ų11765%0.65260%0.602SS**  trans-53.6117-177.1-77.7-171.8177-176.70108.1D698 A702D698-K700 PolarHBondContact O-N 2.9Å; K700-A702 VanDerWaalsContact C-N 3.32Å; K700-A702 PolarHBondContact O-N 3.49Å
701Q29.5Very low29.9Very low152 Ų152117.2 Ų117.271%0.7161%0.61SS**  trans-55.5106.3156.9-73.7179.51.500105.1M699 D703M699-Q701 PolarHBondContact O-N 3.42Å; Q701-D703 PolarHBondContact O-N 3.22Å
702A28.5Very low29.7Very low33 Ų33118.2 Ų118.227%0.27362%0.615SS.*  trans-70.7120.1-175.900000108.5I563 K700 N704I563-A702 HydrophobicContact CD1-CB 4.31Å; K700-A702 VanDerWaalsContact C-N 3.32Å; K700-A702 PolarHBondContact O-N 3.49Å; A702-N704 PolarHBondContact O-N 3.14Å
703D30.2Very low29.5Very low122 Ų122121.6 Ų121.665%0.65262%0.622SS**  trans-49.3131.4159.9-72.1-34.6000110.4R347 Q701 T705R347-D703 IonicContact NH2-OD2 2.81Å; Q701-D703 PolarHBondContact O-N 3.22Å; D703-T705 PolarHBondContact O-N 3.1Å
704N32.1Very low29.4Very low89 Ų89117.3 Ų117.348%0.47662%0.615SS.*  trans2.4105.3170.5-77.2-14.2000117.1A325 A702A325-N704 PolarHBondContact O-ND2 3.06Å; A702-N704 PolarHBondContact O-N 3.14Å
705T25.9Very low28.8Very low88 Ų88121.4 Ų121.454%0.5463%0.631SS.*  trans-116.5116.5148.6450000109.6D703D703-T705 PolarHBondContact O-N 3.1Å
706Q26.7Very low28.6Very low186 Ų186122.1 Ų122.187%0.86964%0.64SS**  trans-50.9132.9-177.3-165.5171.19.200113.7
707Y25.3Very low28Very low171 Ų171126.3 Ų126.367%0.67167%0.673SS**  trans-121.5136.3161.5-173.8-100.5000108.4
708V26.2Very low27.8Very low112 Ų112131.6 Ų131.668%0.67969%0.693SS**PPolyproline II helixtrans-87.8120.4178.9179.20000108.4
709P27Very low27.3Very low110 Ų110136.4 Ų136.471%0.71471%0.705SS**PPolyproline II helixtrans-77.2128172.1-723.7000110.3
710M21.8Very low27Very low183 Ų183138.6 Ų138.690%0.90173%0.725SS**PPolyproline II helixtrans-72.2136.1157.2-102.1171.453.700108.6
711L30.1Very low26.9Very low173 Ų173139.5 Ų139.591%0.90674%0.737SS**PPolyproline II helixtrans-52.1135.8179.8-77.4108.5000112.4
712E23.6Very low27Very low192 Ų192139 Ų13990%0.89774%0.737SS**  trans-127147.2149.7-84.5-161.8169.400113.7
713M23Very low26.9Very low177 Ų177146.2 Ų146.287%0.87277%0.765SS**  trans-54.3144.7-169-152.493.3173.800114.1
714S25.5Very low27.1Very low92 Ų92143.7 Ų143.764%0.64377%0.768SS**  trans-48.2134.416654.70000113.4
715T22.6Very low27Very low132 Ų132141.8 Ų141.881%0.8176%0.762SS**  -178.1138105.630.30000112.9
716T25.8Very low27.2Very low137 Ų137143.1 Ų143.184%0.8477%0.766SS**  trans-38.8126167.835.40000116.8
717S23.1Very low27.8Very low113 Ų113137.8 Ų137.879%0.7974%0.738SS**  trans-168.6130.7133.244.90000112.6
718K34.3Very low28.3Very low204 Ų204132.3 Ų132.389%0.88772%0.72SS**  trans-35.8131.9174.7-68.1171.1172.4178.90114.5
719Y26.7Very low28.6Very low204 Ų204132.3 Ų132.380%0.871%0.713SS**  trans-140.2122.6151.8-109.1-88.5000111.2I722Y719-I722 HydrophobicContact CD1-CD1 4Å; Y719-I722 HydrophobicContact CD1-CG1 4.44Å; Y719-I722 HydrophobicContact CE1-CD1 4.43Å
720S26.6Very low28.6Very low91 Ų91130.2 Ų130.264%0.63670%0.699SS**  trans-64.3158.2168.940.80000112.3I722S720-I722 WeakPolarHBondContact O-CG1 3.41Å; S720-I722 PolarHBondContact O-N 3.11Å
721D31.1Very low28.7Very low169 Ų169126.1 Ų126.190%0.90469%0.687SS**  trans-33.4119.4171.3-55.5-55.5000113.2
722I30.1Very low28.5Very low140 Ų140123.5 Ų123.572%0.71868%0.683SS**  trans-105.1124.7175.2-59.4-178.3000108.8Y719 S720Y719-I722 HydrophobicContact CD1-CD1 4Å; Y719-I722 HydrophobicContact CD1-CG1 4.44Å; Y719-I722 HydrophobicContact CE1-CD1 4.43Å; S720-I722 WeakPolarHBondContact O-CG1 3.41Å; S720-I722 PolarHBondContact O-N 3.11Å
723Q28.3Very low28.8Very low185 Ų185121.8 Ų121.886%0.86468%0.675SS**  trans-44.5149.1170.9-72.9166.1-42.900113.7
724G32.5Very low29.1Very low69 Ų69122.9 Ų122.971%0.71167%0.674SS**  trans-62.4136177.400000114N726G724-N726 PolarHBondContact O-N 3.13Å
725S30.8Very low29.3Very low50 Ų50126.1 Ų126.135%0.3568%0.684SS.*  6338107.5119.60000121Y727S725-Y727 PolarHBondContact O-N 3.32Å
726N31Very low29.4Very low116 Ų116124.5 Ų124.562%0.6268%0.679SS**THydrogen-bonded Turntrans-71.224.9-177-108.7-6.6000116.9Q584 G724Q584-N726 PolarHBondContact NE2-O 3.06Å; Q584-N726 VanDerWaalsContact NE2-O 3.13Å; G724-N726 PolarHBondContact O-N 3.13Å
727Y38.7Very low29.7Very low73 Ų73122.4 Ų122.429%0.28668%0.684SS.*THydrogen-bonded Turntrans-109-3.5179-97.6-35.9000112.9S583 Q584 M587 S725 H729S583-Y727 WeakPolarHBondContact CA-OH 3.11Å; S583-Y727 WeakPolarHBondContact CB-OH 3.46Å; S583-Y727 PolarHBondContact O-OH 3.37Å; S583-Y727 WeakPolarHBondContact OG-CE2 3.42Å; S583-Y727 PolarHBondContact OG-OH 3.01Å; Q584-Y727 HydrophobicContact CB-CD2 3.73Å; Q584-Y727 HydrophobicContact CB-CE2 3.22Å; Q584-Y727 VanDerWaalsContact CD-CG 3.45Å; Q584-Y727 HydrophobicContact CG-CD2 3.59Å; Q584-Y727 HydrophobicContact CG-CE2 3.2Å; Q584-Y727 HydrophobicContact CG-CG 4.42Å; Q584-Y727 WeakPolarHBondContact CG-OH 3.25Å; Q584-Y727 VanDerWaalsContact N-CE2 3.34Å; Q584-Y727 PolarHBondContact N-OH 2.75Å; Q584-Y727 VanDerWaalsContact NE2-CA 3.33Å; Q584-Y727 VanDerWaalsContact NE2-CE2 3.28Å; M587-Y727 HydrophobicContact CE-CD2 3.31Å; M587-Y727 HydrophobicContact CE-CE2 4.04Å; M587-Y727 HydrophobicContact CE-CG 4.13Å; S725-Y727 PolarHBondContact O-N 3.32Å; Y727-H729 PolarHBondContact O-N 3.38Å
728D36Very low29.7Very low56 Ų56120.1 Ų120.130%0.29968%0.678SS.*SBendtrans-87.812.4169.7-67.2-59000112.4Q791D728-Q791 HydrophobicContact CB-CB 3.68Å; D728-Q791 HydrophobicContact CB-CG 3.73Å; D728-Q791 WeakPolarHBondContact OD1-CB 3.45Å; D728-Q791 PolarHBondContact OD2-OE1 3.21Å; D728-Q791 VanDerWaalsContact OD2-OE1 3.06Å
729H32.9Very low29.6Very low113 Ų113116.8 Ų116.852%0.52368%0.678SS.*SBendtrans-120.1130.9173.8-65.3-59.1000110.8Y727Y727-H729 PolarHBondContact O-N 3.38Å
730P25.7Very low29.7Very low66 Ų66116.7 Ų116.743%0.42968%0.684SS.*  trans-58.9152.6158.4-10.324.7000109S732P730-S732 PolarHBondContact O-N 2.97Å; P730-S732 VanDerWaalsContact O-N 3.1Å
731P24.8Very low29.8Very low97 Ų97117 Ų11763%0.6369%0.687SS**  trans-60.1119.4-173.223.6-30.8000111.1Q733P731-Q733 PolarHBondContact O-N 3.2Å; P731-Q733 VanDerWaalsContact O-N 3.1Å
732S25.8Very low29.9Very low118 Ų118115.5 Ų115.583%0.82568%0.679SS**  trans-64109.3165.558.80000108.4P730 K734P730-S732 PolarHBondContact O-N 2.97Å; P730-S732 VanDerWaalsContact O-N 3.1Å; S732-K734 PolarHBondContact O-N 2.84Å
733Q29.4Very low30.2Very low156 Ų156114.5 Ų114.573%0.72968%0.675SS**  trans-60.2124.6167.1-77.6-174.5-23.700108.8P731 D735P731-Q733 PolarHBondContact O-N 3.2Å; P731-Q733 VanDerWaalsContact O-N 3.1Å; Q733-D735 PolarHBondContact O-N 3.39Å
734K28.8Very low31Very low199 Ų199110 Ų11087%0.86566%0.657SS**  trans-64.2115.6150.7-96.4179.2170.8177.70107.4S732S732-K734 PolarHBondContact O-N 2.84Å
735D29.4Very low31.7Very low160 Ų160107.9 Ų107.986%0.85663%0.628SS**  trans21.9106.3161.7-65.9-36000118.6Q733Q733-D735 PolarHBondContact O-N 3.39Å
736S25.2Very low32.2Very low98 Ų98108.5 Ų108.569%0.68563%0.633SS**  trans-152.5123.9134.333.10000108.8
737G32.8Very low32.7Very low93 Ų93107.8 Ų107.896%0.95963%0.629SS**  trans-66.3147.8-156.900000117.8
738G22.9Very low33Very low65 Ų65108.6 Ų108.667%0.6764%0.639SS**  trans-171.6148166.800000109.2
739P31.3Very low33.3Very low134 Ų134113.3 Ų113.387%0.8766%0.661SS**  trans-71.3141.8-16629.2-33.2000112.6
740E29.9Very low34Very low202 Ų202110.8 Ų110.894%0.94466%0.656SS**  trans-60.2134-176.4-64.5-174.2149.900112.5
741S28.2Very low35.4Very low98 Ų98116.9 Ų116.969%0.68568%0.678SS**  trans-120.8129.8175.163.30000109.6N743S741-N743 PolarHBondContact O-N 3.28Å
742D33Very low37.4Very low138 Ų138112.9 Ų112.974%0.73866%0.655SS**  trans-23.7113.6176.3-63-34.4000115.8L744D742-L744 HydrophobicContact CB-CD1 4.16Å; D742-L744 PolarHBondContact O-N 3.08Å
743N36.3Very low40.2Very low119 Ų119107.3 Ų107.364%0.63662%0.616SS**  trans-77.280.8175.6-82.9-28.9000111.5S741 S746S741-N743 PolarHBondContact O-N 3.28Å; N743-S746 WeakPolarHBondContact CB-OG 3.37Å
744L45.4Very low43Very low91 Ų91101.6 Ų101.648%0.47659%0.592SS.*SBendtrans-83.80.2178.7-94.7136.4000115.2D742D742-L744 HydrophobicContact CB-CD1 4.16Å; D742-L744 PolarHBondContact O-N 3.08Å
745L46.8Very low45.8Very low23 Ų2393.4 Ų93.412%0.1256%0.558CS.*SBendtrans-132.610-177.6-86.1172.2000114.1Y921 H924L745-Y921 HydrophobicContact CD1-CD2 3.94Å; L745-Y921 HydrophobicContact CD1-CE2 3.47Å; L745-Y921 VanDerWaalsContact CD1-CE2 3.47Å; L745-Y921 HydrophobicContact CD2-CE2 3.77Å; L745-Y921 HydrophobicContact CG-CD2 4.19Å; L745-Y921 HydrophobicContact CG-CE2 3.72Å; L745-H924 WeakPolarHBondContact CD1-CD2 3.29Å
746S41.3Very low48.6Very low64 Ų6487.6 Ų87.645%0.44853%0.528SS..  trans-137.161.3-178.261.30000112.3N743N743-S746 WeakPolarHBondContact CB-OG 3.37Å
747D41.4Very low51.8Low101 Ų10183.6 Ų83.654%0.5450%0.499SS..  trans-135.993.8156.5-112.9-16.2000109.8M749 S750D747-M749 PolarHBondContact O-N 2.78Å; D747-S750 PolarHBondContact O-N 3.31Å; D747-S750 PolarHBondContact O-OG 3.34Å
748D45.9Very low54.7Low90 Ų9079.1 Ų79.148%0.48145%0.454SS..THydrogen-bonded Turntrans-58.8-3.4160.1-84.3-21.8000111.5Q791D748-Q791 WeakPolarHBondContact OD2-CG 3.24Å; D748-Q791 PolarHBondContact OD2-NE2 3.35Å
749M41.2Very low58.1Low155 Ų15577 Ų7776%0.76443%0.426SS*.THydrogen-bonded Turntrans-105.90.1-176.6-61.8-62.2-6600114.7D747D747-M749 PolarHBondContact O-N 2.78Å
750S48.1Very low61.1Low60 Ų6070.7 Ų70.742%0.4239%0.386SS..  trans-83.3114.4176.559.50000111.8D747 G752D747-S750 PolarHBondContact O-N 3.31Å; D747-S750 PolarHBondContact O-OG 3.34Å; S750-G752 VanDerWaalsContact C-N 3.26Å; S750-G752 PolarHBondContact O-N 2.76Å
751E56.1Low64.2Low194 Ų19461 Ų6191%0.90734%0.341SS*.  trans-73.610.8-169-72.6-172.1148.200116.6
752G66.4Low67.5Low13 Ų1356.4 Ų56.413%0.13431%0.308CS..SBendtrans-144.4143.4-174.600000115.6S750S750-G752 VanDerWaalsContact C-N 3.26Å; S750-G752 PolarHBondContact O-N 2.76Å
753L84.1Confident70.5Confident1 Ų150.1 Ų50.11%0.00527%0.274CS..EExtended strand (participates in β ladder)trans-81.7127.9172.2-176.969.2000109.5Y650 L651 N654 S657 F658 L659 D757 L758 F761 L854Y650-L753 HydrophobicContact CE1-CD1 4.19Å; L651-L753 HydrophobicContact CD2-CD2 3.81Å; N654-L753 HydrophobicContact CB-CB 3.95Å; N654-L753 HydrophobicContact CB-CD2 4.08Å; S657-L753 PolarHBondContact O-N 3.23Å; F658-L753 WeakPolarHBondContact CA-O 3.28Å; F658-L753 HydrophobicContact CD2-CB 4.23Å; F658-L753 HydrophobicContact CD2-CD2 4.18Å; F658-L753 HydrophobicContact CD2-CG 4.04Å; F658-L753 WeakPolarHBondContact CD2-O 3.44Å; L659-L753 PolarHBondContact N-O 2.62Å; L753-D757 HydrophobicContact CD1-CB 3.67Å; L753-L758 HydrophobicContact CD1-CD2 4.42Å; L753-L758 HydrophobicContact CD2-CD2 4.07Å; L753-L758 HydrophobicContact CG-CD2 4.35Å; L753-F761 HydrophobicContact CD1-CE2 3.98Å; L753-F761 HydrophobicContact CD1-CZ 4.32Å; L753-L854 HydrophobicContact CD2-CD2 3.87Å
754T88.9Confident73.4Confident36 Ų3644.5 Ų44.522%0.22124%0.244CC..EExtended strand (participates in β ladder)trans-112.7164.8-176.466.70000112.4T756 D757 L758T754-T756 PolarHBondContact O-N 2.74Å; T754-T756 PolarHBondContact OG1-N 3.17Å; T754-D757 PolarHBondContact N-OD2 3.49Å; T754-D757 WeakPolarHBondContact O-CB 3.29Å; T754-D757 PolarHBondContact O-N 3.29Å; T754-D757 VanDerWaalsContact O-N 3.15Å; T754-D757 PolarHBondContact OG1-N 2.9Å; T754-D757 PolarHBondContact OG1-OD2 3.47Å; T754-L758 PolarHBondContact O-N 3.5Å
755T87.4Confident75.9Confident26 Ų2640.1 Ų40.116%0.1622%0.221CC..Hα-helixtrans-59.1-32.5170.846.10000112.6F658 L758 L759F658-T755 HydrophobicContact CE1-CG2 4.45Å; F658-T755 HydrophobicContact CE2-CG2 4.45Å; F658-T755 HydrophobicContact CZ-CG2 3.66Å; T755-L758 PolarHBondContact O-N 3.31Å; T755-L759 WeakPolarHBondContact O-CG 3.45Å; T755-L759 PolarHBondContact O-N 3.03Å; T755-L759 VanDerWaalsContact O-N 3.08Å
756T88.8Confident78.3Confident38 Ų3839 Ų3923%0.23322%0.216CC..Hα-helixtrans-65.6-38.3175.2-51.60000111.6T754 L759 S760 L917T754-T756 PolarHBondContact O-N 2.74Å; T754-T756 PolarHBondContact OG1-N 3.17Å; T756-L759 PolarHBondContact O-N 3.33Å; T756-S760 WeakPolarHBondContact O-CB 3.41Å; T756-S760 PolarHBondContact O-N 3.33Å; T756-L917 HydrophobicContact CG2-CD2 4.4Å
757D91Very high80.9Confident14 Ų1438 Ų388%0.07520%0.203CC..Hα-helixtrans-63.2-42.3174.2-63.8-62.5000111.2L753 T754 L759 S760 F761 K793L753-D757 HydrophobicContact CD1-CB 3.67Å; T754-D757 PolarHBondContact N-OD2 3.49Å; T754-D757 WeakPolarHBondContact O-CB 3.29Å; T754-D757 PolarHBondContact O-N 3.29Å; T754-D757 VanDerWaalsContact O-N 3.15Å; T754-D757 PolarHBondContact OG1-N 2.9Å; T754-D757 PolarHBondContact OG1-OD2 3.47Å; D757-L759 PolarHBondContact O-N 3.1Å; D757-S760 VanDerWaalsContact O-CB 3.32Å; D757-S760 WeakPolarHBondContact O-CB 3.16Å; D757-S760 PolarHBondContact O-N 3.23Å; D757-F761 HydrophobicContact CB-CE2 4.38Å; D757-F761 HydrophobicContact CB-CZ 4.23Å; D757-F761 WeakPolarHBondContact O-CD1 3.2Å; D757-F761 WeakPolarHBondContact O-CD2 3.13Å; D757-F761 WeakPolarHBondContact O-CG 3.38Å; D757-F761 PolarHBondContact O-N 3.31Å; D757-K793 WeakPolarHBondContact OD1-CD 3.5Å; D757-K793 IonicContact OD1-NZ 2.78Å; D757-K793 PolarHBondContact OD1-NZ 3.08Å; D757-K793 IonicContact OD2-NZ 3.61Å; D757-K793 PolarHBondContact OD2-NZ 2.87Å
758L94.3Very high83.5Confident0 Ų033.2 Ų33.20%018%0.178CC..Hα-helixtrans-62.9-41.2177.3-58.6-174.6000112.2L651 F658 L753 T754 T755 F761 T762 I851 F852 L854L651-L758 HydrophobicContact CD2-CD2 3.73Å; F658-L758 HydrophobicContact CE2-CD1 3.67Å; F658-L758 HydrophobicContact CE2-CG 4.13Å; F658-L758 HydrophobicContact CZ-CD1 3.95Å; L753-L758 HydrophobicContact CD1-CD2 4.42Å; L753-L758 HydrophobicContact CD2-CD2 4.07Å; L753-L758 HydrophobicContact CG-CD2 4.35Å; T754-L758 PolarHBondContact O-N 3.5Å; T755-L758 PolarHBondContact O-N 3.31Å; L758-F761 HydrophobicContact CD2-CD2 4.41Å; L758-F761 PolarHBondContact O-N 2.64Å; L758-T762 WeakPolarHBondContact O-CB 3.28Å; L758-T762 PolarHBondContact O-N 2.88Å; L758-T762 PolarHBondContact O-OG1 3.06Å; L758-I851 HydrophobicContact CB-CG2 3.94Å; L758-I851 HydrophobicContact CD2-CG2 3.88Å; L758-I851 HydrophobicContact CG-CG2 4.39Å; L758-F852 HydrophobicContact CB-CD1 4.3Å; L758-F852 HydrophobicContact CB-CE1 3.8Å; L758-F852 HydrophobicContact CB-CZ 4.02Å; L758-F852 HydrophobicContact CD1-CD1 3.87Å; L758-F852 HydrophobicContact CD1-CE1 4.11Å; L758-L854 HydrophobicContact CD1-CD2 4.02Å; L758-L854 HydrophobicContact CD2-CD2 4.04Å
759L93.8Very high85.9Confident19 Ų1929 Ų2910%0.09916%0.155CC..Hα-helixtrans-66.9-37.8174.4-72.5169.6000111.7T755 T756 D757 T762 Y763 F852 V888 L916 L917T755-L759 WeakPolarHBondContact O-CG 3.45Å; T755-L759 PolarHBondContact O-N 3.03Å; T755-L759 VanDerWaalsContact O-N 3.08Å; T756-L759 PolarHBondContact O-N 3.33Å; D757-L759 PolarHBondContact O-N 3.1Å; L759-T762 WeakPolarHBondContact O-CB 3.28Å; L759-T762 PolarHBondContact O-N 3.3Å; L759-Y763 WeakPolarHBondContact O-CB 3.08Å; L759-Y763 PolarHBondContact O-N 2.97Å; L759-F852 HydrophobicContact CD2-CZ 4.01Å; L759-F852 HydrophobicContact CG-CZ 4.38Å; L759-V888 HydrophobicContact CD2-CG2 3.84Å; L759-L916 HydrophobicContact CD2-CB 4.29Å; L759-L916 HydrophobicContact CD2-CD1 4.33Å; L759-L917 HydrophobicContact CB-CD2 3.63Å; L759-L917 HydrophobicContact CB-CG 4.12Å
760S94.1Very high88.5Confident2 Ų223.9 Ų23.91%0.01413%0.129CC..Hα-helixtrans-59.4-50.5173.1164.90000111.3T756 D757 T762 Y763 Q764 Y921T756-S760 WeakPolarHBondContact O-CB 3.41Å; T756-S760 PolarHBondContact O-N 3.33Å; D757-S760 VanDerWaalsContact O-CB 3.32Å; D757-S760 WeakPolarHBondContact O-CB 3.16Å; D757-S760 PolarHBondContact O-N 3.23Å; S760-T762 VanDerWaalsContact C-N 3.3Å; S760-T762 PolarHBondContact O-N 2.9Å; S760-Y763 PolarHBondContact O-N 3.21Å; S760-Q764 WeakPolarHBondContact O-CB 3.36Å; S760-Q764 VanDerWaalsContact O-CG 3.3Å; S760-Q764 WeakPolarHBondContact O-CG 3.4Å; S760-Q764 PolarHBondContact O-N 2.98Å; S760-Q764 PolarHBondContact OG-NE2 3.14Å; S760-Y921 WeakPolarHBondContact CB-OH 3.35Å; S760-Y921 PolarHBondContact OG-OH 2.93Å
761F96.1Very high90.7Very high0 Ų022.4 Ų22.40%012%0.115CC..Hα-helixtrans-59.2-44.3177.3-58.2-24.2000111.4L647 Y650 L651 L753 D757 L758 Y763 Q764 V765 L789 K793 V795 I851L647-F761 HydrophobicContact CD1-CD2 3.82Å; L647-F761 HydrophobicContact CD1-CE2 3.93Å; L647-F761 HydrophobicContact CD1-CG 4.3Å; Y650-F761 HydrophobicContact CE1-CE2 4.32Å; Y650-F761 HydrophobicContact CE1-CZ 4.04Å; L651-F761 HydrophobicContact CD2-CE2 4.42Å; L753-F761 HydrophobicContact CD1-CE2 3.98Å; L753-F761 HydrophobicContact CD1-CZ 4.32Å; D757-F761 HydrophobicContact CB-CE2 4.38Å; D757-F761 HydrophobicContact CB-CZ 4.23Å; D757-F761 WeakPolarHBondContact O-CD1 3.2Å; D757-F761 WeakPolarHBondContact O-CD2 3.13Å; D757-F761 WeakPolarHBondContact O-CG 3.38Å; D757-F761 PolarHBondContact O-N 3.31Å; L758-F761 HydrophobicContact CD2-CD2 4.41Å; L758-F761 PolarHBondContact O-N 2.64Å; F761-Y763 PolarHBondContact O-N 2.74Å; F761-Q764 PolarHBondContact O-N 2.91Å; F761-V765 WeakPolarHBondContact O-CG2 3.38Å; F761-V765 PolarHBondContact O-N 2.91Å; F761-L789 HydrophobicContact CD1-CD1 4.25Å; F761-L789 HydrophobicContact CE1-CD1 3.68Å; F761-L789 HydrophobicContact CZ-CD1 4.23Å; F761-L789 HydrophobicContact CZ-CD2 4.38Å; F761-K793 HydrophobicContact CE1-CB 4.25Å; F761-V795 HydrophobicContact CB-CG1 4.08Å; F761-V795 HydrophobicContact CD1-CG1 3.48Å; F761-V795 VanDerWaalsContact CD1-CG1 3.48Å; F761-V795 HydrophobicContact CE1-CG1 4.23Å; F761-V795 HydrophobicContact CG-CG1 4.01Å; F761-I851 HydrophobicContact CB-CD1 4.45Å
762T96.7Very high92.4Very high1 Ų113.1 Ų13.11%0.0067%0.072CC..Hα-helixtrans-57.1-48.8176.8-63.30000111.6L758 L759 S760 A766 Y844 L848 F852 V913L758-T762 WeakPolarHBondContact O-CB 3.28Å; L758-T762 PolarHBondContact O-N 2.88Å; L758-T762 PolarHBondContact O-OG1 3.06Å; L759-T762 WeakPolarHBondContact O-CB 3.28Å; L759-T762 PolarHBondContact O-N 3.3Å; S760-T762 VanDerWaalsContact C-N 3.3Å; S760-T762 PolarHBondContact O-N 2.9Å; T762-A766 PolarHBondContact O-N 3.16Å; T762-A766 VanDerWaalsContact O-N 3.1Å; T762-Y844 VanDerWaalsContact CG2-OH 3.3Å; T762-Y844 WeakPolarHBondContact CG2-OH 3.09Å; T762-Y844 PolarHBondContact O-OH 3.13Å; T762-Y844 VanDerWaalsContact O-OH 3.07Å; T762-L848 HydrophobicContact CG2-CD1 4.35Å; T762-L848 HydrophobicContact CG2-CD2 3.4Å; T762-L848 VanDerWaalsContact CG2-CD2 3.4Å; T762-F852 WeakPolarHBondContact OG1-CE2 3.31Å; T762-V913 HydrophobicContact CG2-CB 4.45Å; T762-V913 HydrophobicContact CG2-CG1 3.87Å; T762-V913 HydrophobicContact CG2-CG2 3.66Å
763Y96.8Very high93.6Very high6 Ų613.8 Ų13.82%0.0248%0.076CC..Hα-helixtrans-63.7-46.7179.7177.3-107.2000112.6L759 S760 F761 A766 K767 S910 V913 A914 L917 Y921 Y925L759-Y763 WeakPolarHBondContact O-CB 3.08Å; L759-Y763 PolarHBondContact O-N 2.97Å; S760-Y763 PolarHBondContact O-N 3.21Å; F761-Y763 PolarHBondContact O-N 2.74Å; Y763-A766 WeakPolarHBondContact O-CB 3.49Å; Y763-A766 PolarHBondContact O-N 2.96Å; Y763-K767 HydrophobicContact CE1-CG 4.11Å; Y763-K767 HydrophobicContact CE2-CG 4.3Å; Y763-K767 PolarHBondContact O-N 3.49Å; Y763-K767 VanDerWaalsContact OH-CE 3.3Å; Y763-K767 WeakPolarHBondContact OH-CE 3.21Å; Y763-S910 WeakPolarHBondContact CD2-O 3.29Å; Y763-S910 WeakPolarHBondContact CE2-O 3.37Å; Y763-V913 HydrophobicContact CD2-CB 4.3Å; Y763-V913 HydrophobicContact CD2-CG1 4.42Å; Y763-A914 HydrophobicContact CD2-CB 4.2Å; Y763-A914 HydrophobicContact CE2-CB 3.74Å; Y763-L917 HydrophobicContact CD1-CD1 4.38Å; Y763-L917 HydrophobicContact CD2-CD1 4.42Å; Y763-L917 HydrophobicContact CG-CD1 3.88Å; Y763-Y921 AromaticContact CD1-CE1 3.83Å; Y763-Y921 HydrophobicContact CD1-CE1 3.83Å; Y763-Y921 HydrophobicContact CE1-CE1 4.3Å; Y763-Y925 HydrophobicContact CD1-CG 4.5Å; Y763-Y925 AromaticContact CE1-CD1 3.7Å; Y763-Y925 HydrophobicContact CE1-CD1 3.7Å; Y763-Y925 HydrophobicContact CE1-CD2 4.21Å; Y763-Y925 HydrophobicContact CE1-CE1 4.1Å; Y763-Y925 AromaticContact CE1-CG 3.79Å; Y763-Y925 HydrophobicContact CE1-CG 3.79Å
764Q96.9Very high93.9Very high0 Ų017.5 Ų17.50%010%0.102CC..Hα-helixtrans-67.6-37.9-177.6-69-175.46500112.3N621 S760 F761 K767 G768 K793 V795 Y921 Y925N621-Q764 WeakPolarHBondContact CB-O 3.5Å; N621-Q764 PolarHBondContact ND2-OE1 2.96Å; N621-Q764 PolarHBondContact OD1-O 3.01Å; S760-Q764 WeakPolarHBondContact O-CB 3.36Å; S760-Q764 VanDerWaalsContact O-CG 3.3Å; S760-Q764 WeakPolarHBondContact O-CG 3.4Å; S760-Q764 PolarHBondContact O-N 2.98Å; S760-Q764 PolarHBondContact OG-NE2 3.14Å; F761-Q764 PolarHBondContact O-N 2.91Å; Q764-K767 PolarHBondContact O-N 3.02Å; Q764-G768 PolarHBondContact O-N 3.08Å; Q764-K793 PolarHBondContact NE2-O 3.05Å; Q764-K793 VanDerWaalsContact NE2-O 3.13Å; Q764-V795 HydrophobicContact CB-CG2 3.22Å; Q764-V795 HydrophobicContact CG-CG2 4.25Å; Q764-Y921 PolarHBondContact NE2-OH 3.46Å; Q764-Y925 HydrophobicContact CG-CD2 4.14Å; Q764-Y925 HydrophobicContact CG-CE2 3.93Å
765V97.6Very high93.8Very high0 Ų020 Ų200%011%0.11CC..Hα-helixtrans-64.7-40.5172.61760000110.8F761 K767 G768 M769 L782 V787 V795 I797 Y844 L847F761-V765 WeakPolarHBondContact O-CG2 3.38Å; F761-V765 PolarHBondContact O-N 2.91Å; V765-K767 VanDerWaalsContact C-N 3.29Å; V765-K767 PolarHBondContact O-N 3.08Å; V765-G768 PolarHBondContact O-N 3.44Å; V765-M769 HydrophobicContact CG1-CG 4.31Å; V765-M769 WeakPolarHBondContact O-CG 3.42Å; V765-M769 PolarHBondContact O-N 3.05Å; V765-L782 HydrophobicContact CG1-CD1 4.34Å; V765-V787 HydrophobicContact CG2-CG1 3.8Å; V765-V787 HydrophobicContact CG2-CG2 4Å; V765-V795 HydrophobicContact CG2-CG2 3.86Å; V765-I797 HydrophobicContact CG1-CD1 3.93Å; V765-I797 HydrophobicContact CG1-CG1 4.35Å; V765-Y844 HydrophobicContact CB-CE2 4.29Å; V765-Y844 HydrophobicContact CG1-CD2 4.02Å; V765-Y844 HydrophobicContact CG1-CE2 4.02Å; V765-L847 HydrophobicContact CB-CD2 4.23Å; V765-L847 HydrophobicContact CG1-CD2 3.76Å; V765-L847 HydrophobicContact CG2-CD2 4.34Å
766A97.3Very high93.7Very high0 Ų023.2 Ų23.20%013%0.126CC..Hα-helixtrans-58.7-41.4174.600000111.9T762 Y763 M769 E770 Y844T762-A766 PolarHBondContact O-N 3.16Å; T762-A766 VanDerWaalsContact O-N 3.1Å; Y763-A766 WeakPolarHBondContact O-CB 3.49Å; Y763-A766 PolarHBondContact O-N 2.96Å; A766-M769 PolarHBondContact O-N 2.83Å; A766-E770 VanDerWaalsContact O-CB 3.28Å; A766-E770 WeakPolarHBondContact O-CB 3.38Å; A766-E770 PolarHBondContact O-N 2.95Å; A766-Y844 HydrophobicContact CB-CE2 4.13Å
767K96.7Very high93.6Very high43 Ų4321.5 Ų21.519%0.18712%0.115CC..Hα-helixtrans-64.6-42.6176.1-76.9-73.6164.8-149.30112.9Y763 Q764 V765 E770 F771 S910 Y925Y763-K767 HydrophobicContact CE1-CG 4.11Å; Y763-K767 HydrophobicContact CE2-CG 4.3Å; Y763-K767 PolarHBondContact O-N 3.49Å; Y763-K767 VanDerWaalsContact OH-CE 3.3Å; Y763-K767 WeakPolarHBondContact OH-CE 3.21Å; Q764-K767 PolarHBondContact O-N 3.02Å; V765-K767 VanDerWaalsContact C-N 3.29Å; V765-K767 PolarHBondContact O-N 3.08Å; K767-E770 WeakPolarHBondContact CD-OE2 3.37Å; K767-E770 IonicContact NZ-OE1 2.78Å; K767-E770 IonicContact NZ-OE2 3.43Å; K767-E770 PolarHBondContact NZ-OE2 3Å; K767-E770 PolarHBondContact O-N 3.34Å; K767-F771 PolarHBondContact O-N 3.27Å; K767-F771 VanDerWaalsContact O-N 3.08Å; K767-S910 PolarHBondContact NZ-OG 2.91Å; K767-S910 VanDerWaalsContact NZ-OG 3.1Å; K767-Y925 HydrophobicContact CD-CE1 4.41Å; K767-Y925 HydrophobicContact CG-CE1 4.14Å
768G95.6Very high93.4Very high0 Ų020.8 Ų20.80%011%0.112CC..Hα-helixtrans-61.9-42.6173.900000113Q764 V765 F771 L772Q764-G768 PolarHBondContact O-N 3.08Å; V765-G768 PolarHBondContact O-N 3.44Å; G768-F771 WeakPolarHBondContact O-CB 3.49Å; G768-F771 PolarHBondContact O-N 3.34Å; G768-L772 PolarHBondContact O-N 2.93Å; G768-L772 VanDerWaalsContact O-N 3.08Å
769M96.4Very high93.2Very high1 Ų120.8 Ų20.81%0.00511%0.112CC..Hα-helixtrans-73.5-31.4178.2-68.5-55.6-56.700113.4V765 A766 F771 L772 A773 H779 L782 I797 D840 F906V765-M769 HydrophobicContact CG1-CG 4.31Å; V765-M769 WeakPolarHBondContact O-CG 3.42Å; V765-M769 PolarHBondContact O-N 3.05Å; A766-M769 PolarHBondContact O-N 2.83Å; M769-F771 VanDerWaalsContact C-N 3.31Å; M769-L772 HydrophobicContact CE-CD1 4.35Å; M769-L772 PolarHBondContact O-N 2.73Å; M769-L772 HydrophobicContact SD-CD1 3.89Å; M769-A773 WeakPolarHBondContact O-CB 3.34Å; M769-A773 PolarHBondContact O-N 3.31Å; M769-H779 HydrophobicContact CE-CB 3.9Å; M769-H779 HydrophobicContact SD-CB 4.37Å; M769-L782 HydrophobicContact CE-CD2 4.08Å; M769-L782 HydrophobicContact CG-CD1 4.34Å; M769-L782 HydrophobicContact CG-CD2 3.8Å; M769-L782 HydrophobicContact SD-CD1 3.87Å; M769-L782 HydrophobicContact SD-CD2 3.86Å; M769-L782 HydrophobicContact SD-CG 4.39Å; M769-I797 HydrophobicContact CG-CD1 3.69Å; M769-I797 HydrophobicContact SD-CD1 3.74Å; M769-I797 HydrophobicContact SD-CG2 4.41Å; M769-D840 HydrophobicContact CE-CB 3.77Å; M769-F906 HydrophobicContact CB-CD1 3.42Å; M769-F906 VanDerWaalsContact CB-CD1 3.42Å; M769-F906 HydrophobicContact CB-CD2 3.85Å; M769-F906 HydrophobicContact CB-CE1 3.37Å; M769-F906 HydrophobicContact CB-CE2 3.8Å; M769-F906 HydrophobicContact CB-CG 3.67Å; M769-F906 HydrophobicContact CB-CZ 3.57Å; M769-F906 HydrophobicContact CE-CE2 3.87Å; M769-F906 HydrophobicContact CE-CZ 3.8Å; M769-F906 HydrophobicContact CG-CD1 4.33Å; M769-F906 HydrophobicContact CG-CE1 3.83Å; M769-F906 HydrophobicContact CG-CZ 3.92Å
770E95.7Very high92.9Very high48 Ų4821.7 Ų21.722%0.22411%0.114CC..Hα-helixtrans-59.1-44.8169.3-178.4-173.1169.100110.6A766 K767 A773 S774 F906 M907 S910A766-E770 VanDerWaalsContact O-CB 3.28Å; A766-E770 WeakPolarHBondContact O-CB 3.38Å; A766-E770 PolarHBondContact O-N 2.95Å; K767-E770 WeakPolarHBondContact CD-OE2 3.37Å; K767-E770 IonicContact NZ-OE1 2.78Å; K767-E770 IonicContact NZ-OE2 3.43Å; K767-E770 PolarHBondContact NZ-OE2 3Å; K767-E770 PolarHBondContact O-N 3.34Å; E770-A773 PolarHBondContact O-N 3.15Å; E770-S774 WeakPolarHBondContact O-CB 3.47Å; E770-S774 PolarHBondContact O-N 2.84Å; E770-F906 HydrophobicContact CB-CB 3.94Å; E770-M907 HydrophobicContact CG-CB 4.28Å; E770-S910 PolarHBondContact OE2-OG 2.99Å
771F94.8Very high92.6Very high28 Ų2821.6 Ų21.612%0.12311%0.113CC..Hα-helixtrans-60.7-49.1174.6170.3-100.3000112.2L616 H619 I622 K767 G768 M769 A773 S774 K775L616-F771 VanDerWaalsContact O-CZ 3.31Å; L616-F771 WeakPolarHBondContact O-CZ 3.24Å; H619-F771 HydrophobicContact CB-CD1 3.63Å; H619-F771 HydrophobicContact CB-CD2 4.07Å; H619-F771 HydrophobicContact CB-CE1 3.69Å; H619-F771 HydrophobicContact CB-CE2 4.12Å; H619-F771 HydrophobicContact CB-CG 3.81Å; H619-F771 HydrophobicContact CB-CZ 3.92Å; H619-F771 AromaticContact CD2-CD2 3.71Å; H619-F771 AromaticContact CD2-CG 3.62Å; H619-F771 AromaticContact CG-CD1 3.89Å; H619-F771 AromaticContact CG-CG 3.66Å; I622-F771 HydrophobicContact CG1-CD1 3.86Å; I622-F771 HydrophobicContact CG1-CE1 4.22Å; K767-F771 PolarHBondContact O-N 3.27Å; K767-F771 VanDerWaalsContact O-N 3.08Å; G768-F771 WeakPolarHBondContact O-CB 3.49Å; G768-F771 PolarHBondContact O-N 3.34Å; M769-F771 VanDerWaalsContact C-N 3.31Å; F771-A773 VanDerWaalsContact C-N 3.33Å; F771-A773 PolarHBondContact O-N 2.58Å; F771-S774 WeakPolarHBondContact O-CB 3.33Å; F771-S774 PolarHBondContact O-N 2.73Å; F771-S774 VanDerWaalsContact O-N 3.14Å; F771-S774 PolarHBondContact O-OG 3.3Å; F771-K775 HydrophobicContact CE2-CG 4.25Å; F771-K775 HydrophobicContact CZ-CG 4.22Å; F771-K775 PolarHBondContact O-N 3.39Å
772L91.4Very high92.5Very high0 Ų021.6 Ų21.60%011%0.113CC..Hα-helixtrans-60.1-43.1177.7-68.6-179.7000111.9W524 L616 I622 G768 M769 S774 K775 N776 C777W524-L772 HydrophobicContact CH2-CD2 4.37Å; W524-L772 HydrophobicContact CZ3-CD2 4.21Å; L616-L772 HydrophobicContact CD1-CD2 3.98Å; L616-L772 HydrophobicContact CD2-CD2 4.25Å; I622-L772 HydrophobicContact CD1-CD1 4.02Å; I622-L772 HydrophobicContact CD1-CD2 4.13Å; I622-L772 HydrophobicContact CD1-CG 3.9Å; G768-L772 PolarHBondContact O-N 2.93Å; G768-L772 VanDerWaalsContact O-N 3.08Å; M769-L772 HydrophobicContact CE-CD1 4.35Å; M769-L772 PolarHBondContact O-N 2.73Å; M769-L772 HydrophobicContact SD-CD1 3.89Å; L772-S774 VanDerWaalsContact C-N 3.32Å; L772-S774 PolarHBondContact O-N 2.96Å; L772-K775 CarbonylContact O-C 3.57Å; L772-K775 PolarHBondContact O-N 2.95Å; L772-K775 VanDerWaalsContact O-N 3.09Å; L772-N776 PolarHBondContact O-N 3.43Å; L772-C777 CarbonylContact C-O 3.47Å; L772-C777 HydrophobicContact CB-CB 4.32Å; L772-C777 HydrophobicContact CD2-CB 4.3Å; L772-C777 WeakPolarHBondContact O-CB 3.34Å; L772-C777 PolarHBondContact O-N 3.1Å
773A90.5Very high92.3Very high26 Ų2621.6 Ų21.622%0.21511%0.113CC..Hα-helixtrans-61.9-38.6175.900000112.1M769 E770 F771 K775 N776 F906M769-A773 WeakPolarHBondContact O-CB 3.34Å; M769-A773 PolarHBondContact O-N 3.31Å; E770-A773 PolarHBondContact O-N 3.15Å; F771-A773 VanDerWaalsContact C-N 3.33Å; F771-A773 PolarHBondContact O-N 2.58Å; A773-K775 PolarHBondContact O-N 3.38Å; A773-N776 PolarHBondContact O-N 3.1Å; A773-F906 HydrophobicContact CB-CD2 4.25Å
774S91.4Very high92.1Very high80 Ų8021.3 Ų21.356%0.55911%0.112SC*.Hα-helixtrans-65-23.317681.20000113.4E770 F771 L772E770-S774 WeakPolarHBondContact O-CB 3.47Å; E770-S774 PolarHBondContact O-N 2.84Å; F771-S774 WeakPolarHBondContact O-CB 3.33Å; F771-S774 PolarHBondContact O-N 2.73Å; F771-S774 VanDerWaalsContact O-N 3.14Å; F771-S774 PolarHBondContact O-OG 3.3Å; L772-S774 VanDerWaalsContact C-N 3.32Å; L772-S774 PolarHBondContact O-N 2.96Å
775K87.3Confident91.7Very high89 Ų8921.3 Ų21.339%0.38711%0.112SC..THydrogen-bonded Turntrans-95.912.6174.9-61.7-63.4-173.51720112.8L616 F771 L772 A773 C777L616-K775 HydrophobicContact CD2-CB 3.72Å; L616-K775 HydrophobicContact CD2-CG 4.27Å; L616-K775 WeakPolarHBondContact O-CE 3.45Å; F771-K775 HydrophobicContact CE2-CG 4.25Å; F771-K775 HydrophobicContact CZ-CG 4.22Å; F771-K775 PolarHBondContact O-N 3.39Å; L772-K775 CarbonylContact O-C 3.57Å; L772-K775 PolarHBondContact O-N 2.95Å; L772-K775 VanDerWaalsContact O-N 3.09Å; A773-K775 PolarHBondContact O-N 3.38Å; K775-C777 PolarHBondContact O-N 2.83Å; K775-C777 VanDerWaalsContact O-N 3.15Å
776N85.4Confident91.4Very high93 Ų9321.3 Ų21.350%0.49711%0.112SC..THydrogen-bonded Turntrans52.532.6-175.5-61.2-34.8000113V526 I527 L772 A773V526-N776 WeakPolarHBondContact CA-O 3.45Å; I527-N776 HydrophobicContact CB-CB 4.3Å; I527-N776 PolarHBondContact N-O 3.19Å; L772-N776 PolarHBondContact O-N 3.43Å; A773-N776 PolarHBondContact O-N 3.1Å
777C85.2Confident91.3Very high1 Ų121.3 Ų21.31%0.00711%0.112CC..EExtended strand (participates in β ladder)trans-102.9124.8-180-174.40000110.4L616 L772 K775L616-C777 HydrophobicContact CD2-CB 3.59Å; L772-C777 CarbonylContact C-O 3.47Å; L772-C777 HydrophobicContact CB-CB 4.32Å; L772-C777 HydrophobicContact CD2-CB 4.3Å; L772-C777 WeakPolarHBondContact O-CB 3.34Å; L772-C777 PolarHBondContact O-N 3.1Å; K775-C777 PolarHBondContact O-N 2.83Å; K775-C777 VanDerWaalsContact O-N 3.15Å
778V87.6Confident91.2Very high0 Ų019.7 Ų19.70%011%0.105CC..EExtended strand (participates in β ladder)trans-102.3128.6176.9-171.30000109.3W524 R525 I527 R780 D840W524-V778 WeakPolarHBondContact CA-O 3.47Å; R525-V778 PolarHBondContact N-O 3.2Å; R525-V778 PolarHBondContact O-N 2.81Å; I527-V778 HydrophobicContact CD1-CG2 3.61Å; I527-V778 HydrophobicContact CG1-CG2 4.2Å; V778-R780 HydrophobicContact CB-CG 4.29Å; V778-R780 HydrophobicContact CG1-CG 3.71Å; V778-D840 WeakPolarHBondContact CA-OD2 3.35Å; V778-D840 VanDerWaalsContact CG1-OD2 3.29Å; V778-D840 WeakPolarHBondContact CG1-OD2 3.44Å
779H89.6Confident91Very high0 Ų019.7 Ų19.70%011%0.105CC..  trans-77.9-41.5-175.3-169.7-77.3000112.8W524 M769 D781 L782 C798 D840W524-H779 AromaticContact CE2-CD2 3.58Å; W524-H779 AromaticContact CE2-NE2 3.8Å; W524-H779 AromaticContact CZ2-CD2 3.71Å; W524-H779 AromaticContact CZ2-NE2 3.83Å; W524-H779 AromaticContact NE1-CD2 3.1Å; W524-H779 PolarHBondContact NE1-CD2 3.5Å; W524-H779 AromaticContact NE1-CE1 3.81Å; W524-H779 AromaticContact NE1-CG 3.7Å; W524-H779 AromaticContact NE1-NE2 3.18Å; W524-H779 PolarHBondContact NE1-NE2 3.22Å; W524-H779 VanDerWaalsContact NE1-NE2 3.18Å; M769-H779 HydrophobicContact CE-CB 3.9Å; M769-H779 HydrophobicContact SD-CB 4.37Å; H779-D781 PolarHBondContact CE1-O 3.05Å; H779-D781 VanDerWaalsContact CE1-O 3.3Å; H779-D781 PolarHBondContact ND1-N 3.32Å; H779-D781 PolarHBondContact ND1-O 2.99Å; H779-D781 PolarHBondContact O-N 3.06Å; H779-L782 PolarHBondContact ND1-N 2.98Å; H779-L782 VanDerWaalsContact ND1-N 3.12Å; H779-C798 PolarHBondContact NE2-O 2.98Å; H779-C798 VanDerWaalsContact NE2-O 3.16Å; H779-D840 PolarHBondContact N-OD2 2.71Å
780R87.5Confident90.6Very high37 Ų3720.2 Ų20.214%0.1411%0.109CC..SBendtrans68.6-12175.2-57-17843.2-134.99117R523 V778 Y835 D840R523-R780 WeakPolarHBondContact O-CD 3.43Å; R523-R780 PolarHBondContact O-NH1 2.77Å; V778-R780 HydrophobicContact CB-CG 4.29Å; V778-R780 HydrophobicContact CG1-CG 3.71Å; R780-Y835 HydrophobicContact CB-CD1 3.93Å; R780-Y835 HydrophobicContact CB-CE1 4.27Å; R780-Y835 HydrophobicContact CG-CD1 3.64Å; R780-Y835 HydrophobicContact CG-CE1 4.41Å; R780-Y835 HydrophobicContact CG-CG 3.89Å; R780-D840 PolarHBondContact N-OD1 3.12Å
781D88.4Confident89.9Confident1 Ų120.4 Ų20.41%0.00511%0.11CC..  trans-142.843.5176.4-176.346000111.8R523 H779 A783 R785 N786 Y812 P821R523-D781 IonicContact CZ-OD2 2.66Å; R523-D781 IonicContact NE-OD2 2.68Å; R523-D781 VanDerWaalsContact NH1-CG 3.3Å; R523-D781 IonicContact NH1-OD1 2.66Å; R523-D781 IonicContact NH1-OD2 2.72Å; R523-D781 PolarHBondContact NH1-OD2 2.92Å; H779-D781 PolarHBondContact CE1-O 3.05Å; H779-D781 VanDerWaalsContact CE1-O 3.3Å; H779-D781 PolarHBondContact ND1-N 3.32Å; H779-D781 PolarHBondContact ND1-O 2.99Å; H779-D781 PolarHBondContact O-N 3.06Å; D781-A783 PolarHBondContact O-N 3.34Å; D781-R785 IonicContact OD1-CZ 3.31Å; D781-R785 IonicContact OD1-NE 2.82Å; D781-R785 IonicContact OD1-NH2 3.41Å; D781-R785 PolarHBondContact OD1-NH2 3.16Å; D781-N786 VanDerWaalsContact CG-ND2 3.29Å; D781-N786 PolarHBondContact O-ND2 3.49Å; D781-N786 PolarHBondContact OD2-ND2 3.23Å; D781-Y812 PolarHBondContact OD1-OH 2.71Å; D781-Y812 PolarHBondContact OD2-OH 3.05Å; D781-P821 HydrophobicContact CB-CG 4.47Å; D781-P821 WeakPolarHBondContact OD1-CB 3.28Å; D781-P821 VanDerWaalsContact OD1-CG 3.27Å; D781-P821 WeakPolarHBondContact OD1-CG 3.46Å
782L93.9Very high89.2Confident0 Ų020.1 Ų20.10%012%0.115CC..  trans-70.7120.5177.6-179.966.1000109.7V765 M769 H779 I797 Y844 L847V765-L782 HydrophobicContact CG1-CD1 4.34Å; M769-L782 HydrophobicContact CE-CD2 4.08Å; M769-L782 HydrophobicContact CG-CD1 4.34Å; M769-L782 HydrophobicContact CG-CD2 3.8Å; M769-L782 HydrophobicContact SD-CD1 3.87Å; M769-L782 HydrophobicContact SD-CD2 3.86Å; M769-L782 HydrophobicContact SD-CG 4.39Å; H779-L782 PolarHBondContact ND1-N 2.98Å; H779-L782 VanDerWaalsContact ND1-N 3.12Å; L782-I797 HydrophobicContact CD1-CG2 4.21Å; L782-Y844 HydrophobicContact CD2-CD2 4.37Å; L782-L847 HydrophobicContact CD1-CD1 4.29Å; L782-L847 HydrophobicContact CG-CD1 4.38Å
783A93.1Very high89.1Confident0 Ų021.5 Ų21.50%012%0.121CC..SBendtrans-163159.3-177.600000109.4D781 R785 N786 W824D781-A783 PolarHBondContact O-N 3.34Å; A783-R785 HydrophobicContact CB-CG 3.77Å; A783-R785 VanDerWaalsContact CB-NH1 3.26Å; A783-R785 PolarHBondContact O-N 2.91Å; A783-N786 WeakPolarHBondContact O-CA 3.46Å; A783-N786 PolarHBondContact O-N 3.49Å; A783-W824 VanDerWaalsContact CB-CD1 3.49Å; A783-W824 HydrophobicContact CB-CD2 4.29Å; A783-W824 HydrophobicContact CB-CG 4.08Å
784A92.8Very high89.2Confident0 Ų021.3 Ų21.30%012%0.116CC..G310 helixtrans-58.9-30.1-17300000111.9L647 V648 N786 V787 L847 E850L647-A784 WeakPolarHBondContact CB-O 3.28Å; V648-A784 HydrophobicContact CG2-CB 3.43Å; V648-A784 VanDerWaalsContact CG2-CB 3.43Å; A784-N786 PolarHBondContact O-N 2.97Å; A784-V787 PolarHBondContact O-N 3.36Å; A784-V787 VanDerWaalsContact O-N 3.11Å; A784-L847 HydrophobicContact CB-CD1 4.44Å; A784-E850 HydrophobicContact CB-CB 3.98Å; A784-E850 HydrophobicContact CB-CG 4.49Å; A784-E850 PolarHBondContact N-OE2 2.73Å
785R88.2Confident89.4Confident0 Ų017.5 Ų17.50%09%0.089CC..G310 helixtrans-59.3-31173.166.9-179.7173.5-90-4.7114.4V648 Y696 D781 A783 V787 R804 Y812 P821 W824V648-R785 HydrophobicContact CG2-CB 4.25Å; Y696-R785 HydrophobicContact CE1-CB 4.48Å; Y696-R785 WeakPolarHBondContact OH-CB 3.41Å; Y696-R785 WeakPolarHBondContact OH-CD 3.36Å; Y696-R785 WeakPolarHBondContact OH-CG 3.27Å; D781-R785 IonicContact OD1-CZ 3.31Å; D781-R785 IonicContact OD1-NE 2.82Å; D781-R785 IonicContact OD1-NH2 3.41Å; D781-R785 PolarHBondContact OD1-NH2 3.16Å; A783-R785 HydrophobicContact CB-CG 3.77Å; A783-R785 VanDerWaalsContact CB-NH1 3.26Å; A783-R785 PolarHBondContact O-N 2.91Å; R785-V787 VanDerWaalsContact C-N 3.3Å; R785-R804 VanDerWaalsContact C-NH2 3.32Å; R785-R804 VanDerWaalsContact CD-NH1 3.27Å; R785-R804 VanDerWaalsContact CG-NH1 3.25Å; R785-R804 PolarHBondContact O-NH2 3.3Å; R785-Y812 PolarHBondContact NE-OH 3.36Å; R785-Y812 PolarHBondContact NH2-OH 3.29Å; R785-P821 VanDerWaalsContact NH2-CB 3.28Å; R785-W824 VanDerWaalsContact NH1-CE2 3.26Å; R785-W824 VanDerWaalsContact NH1-CH2 3.31Å
786N91.6Very high89.7Confident0 Ų013.8 Ų13.80%07%0.073CC..G310 helixtrans-96.313.8-179.2-76.4-23.1000112.1D781 A783 A784 C798 R804D781-N786 VanDerWaalsContact CG-ND2 3.29Å; D781-N786 PolarHBondContact O-ND2 3.49Å; D781-N786 PolarHBondContact OD2-ND2 3.23Å; A783-N786 WeakPolarHBondContact O-CA 3.46Å; A783-N786 PolarHBondContact O-N 3.49Å; A784-N786 PolarHBondContact O-N 2.97Å; N786-C798 WeakPolarHBondContact CB-O 3.44Å; N786-C798 PolarHBondContact O-N 2.97Å; N786-C798 PolarHBondContact O-SG 3.39Å; N786-R804 PolarHBondContact OD1-NH1 3.01Å
787V94.9Very high90.2Very high0 Ų09.3 Ų9.30%05%0.05CC..EExtended strand (participates in β ladder)trans-113.4121.5170.8-1780000107.3D646 L647 V765 A784 R785 V795 L847D646-V787 CarbonylContact C-O 3.57Å; D646-V787 WeakPolarHBondContact CA-O 3.33Å; L647-V787 HydrophobicContact CB-CB 4.13Å; L647-V787 HydrophobicContact CB-CG1 4.3Å; L647-V787 WeakPolarHBondContact CB-O 3.43Å; L647-V787 HydrophobicContact CD2-CB 4.22Å; L647-V787 HydrophobicContact CD2-CG1 3.97Å; L647-V787 PolarHBondContact N-O 3.06Å; V765-V787 HydrophobicContact CG2-CG1 3.8Å; V765-V787 HydrophobicContact CG2-CG2 4Å; A784-V787 PolarHBondContact O-N 3.36Å; A784-V787 VanDerWaalsContact O-N 3.11Å; R785-V787 VanDerWaalsContact C-N 3.3Å; V787-V795 HydrophobicContact CG1-CB 3.78Å; V787-V795 HydrophobicContact CG1-CG1 4.34Å; V787-V795 HydrophobicContact CG1-CG2 4.42Å; V787-L847 HydrophobicContact CG2-CD1 3.76Å
788L93.5Very high90.3Very high10 Ų109.5 Ų9.55%0.0525%0.051CC..EExtended strand (participates in β ladder)trans-98.1159174.5-61.1-176.8000111.1V623 C642 G645 D646 V795 K796 F800V623-L788 HydrophobicContact CG2-CD1 3.84Å; V623-L788 HydrophobicContact CG2-CG 4.46Å; C642-L788 HydrophobicContact CB-CB 3.61Å; C642-L788 HydrophobicContact CB-CD1 3.71Å; C642-L788 HydrophobicContact CB-CG 4.28Å; G645-L788 CarbonylContact O-C 3.48Å; G645-L788 VanDerWaalsContact O-CA 3.29Å; G645-L788 WeakPolarHBondContact O-CA 3.31Å; D646-L788 HydrophobicContact CB-CD2 3.97Å; L788-V795 CarbonylContact O-C 3.5Å; L788-V795 VanDerWaalsContact O-CA 3.23Å; L788-V795 WeakPolarHBondContact O-CA 3.37Å; L788-K796 PolarHBondContact N-O 3.2Å; L788-K796 PolarHBondContact O-N 2.94Å; L788-F800 HydrophobicContact CD1-CE2 3.44Å; L788-F800 VanDerWaalsContact CD1-CE2 3.44Å; L788-F800 HydrophobicContact CD1-CZ 3.57Å; L788-F800 HydrophobicContact CD2-CD2 4.36Å; L788-F800 HydrophobicContact CD2-CE2 3.5Å; L788-F800 HydrophobicContact CD2-CZ 4.17Å; L788-F800 HydrophobicContact CG-CE2 3.63Å; L788-F800 HydrophobicContact CG-CZ 4.25Å
789L91.9Very high89.9Confident0 Ų09.9 Ų9.90%05%0.053CC..EExtended strand (participates in β ladder)trans-117.8120.5174.8-168.775.2000110.4C642 H644 G645 Y650 F761 K793 V795C642-L789 CarbonylContact C-O 3.54Å; H644-L789 HydrophobicContact CB-CB 3.9Å; H644-L789 HydrophobicContact CB-CD2 3.95Å; H644-L789 HydrophobicContact CB-CG 4.14Å; H644-L789 WeakPolarHBondContact CB-O 3.28Å; H644-L789 PolarHBondContact N-O 2.87Å; G645-L789 PolarHBondContact O-N 2.94Å; Y650-L789 HydrophobicContact CD1-CD2 3.73Å; Y650-L789 HydrophobicContact CD2-CD2 3.62Å; Y650-L789 HydrophobicContact CE1-CD2 3.64Å; Y650-L789 HydrophobicContact CE2-CD2 3.52Å; Y650-L789 HydrophobicContact CG-CD2 3.72Å; F761-L789 HydrophobicContact CD1-CD1 4.25Å; F761-L789 HydrophobicContact CE1-CD1 3.68Å; F761-L789 HydrophobicContact CZ-CD1 4.23Å; F761-L789 HydrophobicContact CZ-CD2 4.38Å; L789-K793 HydrophobicContact CD1-CB 4.42Å; L789-V795 HydrophobicContact CD1-CG1 3.68Å
790S88.4Confident88.5Confident12 Ų1210.6 Ų10.68%0.0846%0.056CC..EExtended strand (participates in β ladder)trans-93.8172.4175.2-152.30000110.9H644 K793 I794H644-S790 PolarHBondContact CD2-O 3.16Å; S790-K793 PolarHBondContact O-N 3.27Å; S790-I794 PolarHBondContact N-O 2.86Å
791Q79.6Confident87.3Confident51 Ų518.9 Ų8.924%0.2385%0.05CC..G310 helixtrans-55.7149.3174.2-170.2164.4-3.800111.5D728 D748 K793D728-Q791 HydrophobicContact CB-CB 3.68Å; D728-Q791 HydrophobicContact CB-CG 3.73Å; D728-Q791 WeakPolarHBondContact OD1-CB 3.45Å; D728-Q791 PolarHBondContact OD2-OE1 3.21Å; D728-Q791 VanDerWaalsContact OD2-OE1 3.06Å; D748-Q791 WeakPolarHBondContact OD2-CG 3.24Å; D748-Q791 PolarHBondContact OD2-NE2 3.35Å; Q791-K793 VanDerWaalsContact C-N 3.28Å; Q791-K793 PolarHBondContact O-N 3.14Å
792G82.1Confident85.8Confident22 Ų229 Ų923%0.2275%0.051CC..G310 helixtrans71.521.5-172.900000113.8I794G792-I794 PolarHBondContact O-N 3.21Å; G792-I794 VanDerWaalsContact O-N 3.17Å
793K88.2Confident83.8Confident29 Ų299.1 Ų9.113%0.1265%0.051CC..G310 helixtrans54.532.9-179-62.9-179.21801740113.6D757 F761 Q764 L789 S790 Q791D757-K793 WeakPolarHBondContact OD1-CD 3.5Å; D757-K793 IonicContact OD1-NZ 2.78Å; D757-K793 PolarHBondContact OD1-NZ 3.08Å; D757-K793 IonicContact OD2-NZ 3.61Å; D757-K793 PolarHBondContact OD2-NZ 2.87Å; F761-K793 HydrophobicContact CE1-CB 4.25Å; Q764-K793 PolarHBondContact NE2-O 3.05Å; Q764-K793 VanDerWaalsContact NE2-O 3.13Å; L789-K793 HydrophobicContact CD1-CB 4.42Å; S790-K793 PolarHBondContact O-N 3.27Å; Q791-K793 VanDerWaalsContact C-N 3.28Å; Q791-K793 PolarHBondContact O-N 3.14Å
794I92.2Very high82.3Confident22 Ų2210.1 Ų10.111%0.1136%0.055CC..EExtended strand (participates in β ladder)trans-83.8119.8176.1-57.9-59.9000109.9L620 S790 G792L620-I794 HydrophobicContact CD1-CG2 4.17Å; L620-I794 HydrophobicContact CG-CG2 4.19Å; S790-I794 PolarHBondContact N-O 2.86Å; G792-I794 PolarHBondContact O-N 3.21Å; G792-I794 VanDerWaalsContact O-N 3.17Å
795V95.4Very high80.8Confident0 Ų013.3 Ų13.30%07%0.072CC..EExtended strand (participates in β ladder)trans-85143.8178.3-52.50000111N621 F761 Q764 V765 V787 L788 L789N621-V795 VanDerWaalsContact CA-O 3.27Å; N621-V795 WeakPolarHBondContact CA-O 3.26Å; N621-V795 WeakPolarHBondContact CB-O 3.43Å; N621-V795 PolarHBondContact ND2-O 3.38Å; F761-V795 HydrophobicContact CB-CG1 4.08Å; F761-V795 HydrophobicContact CD1-CG1 3.48Å; F761-V795 VanDerWaalsContact CD1-CG1 3.48Å; F761-V795 HydrophobicContact CE1-CG1 4.23Å; F761-V795 HydrophobicContact CG-CG1 4.01Å; Q764-V795 HydrophobicContact CB-CG2 3.22Å; Q764-V795 HydrophobicContact CG-CG2 4.25Å; V765-V795 HydrophobicContact CG2-CG2 3.86Å; V787-V795 HydrophobicContact CG1-CB 3.78Å; V787-V795 HydrophobicContact CG1-CG1 4.34Å; V787-V795 HydrophobicContact CG1-CG2 4.42Å; L788-V795 CarbonylContact O-C 3.5Å; L788-V795 VanDerWaalsContact O-CA 3.23Å; L788-V795 WeakPolarHBondContact O-CA 3.37Å; L789-V795 HydrophobicContact CD1-CG1 3.68Å
796K95.1Very high79.6Confident11 Ų1114 Ų145%0.0488%0.075CC..EExtended strand (participates in β ladder)trans-135.9121.4-179.9-68.9176.1173-76.60110.6L620 N621 V623 E640 L788L620-K796 PolarHBondContact O-NZ 2.91Å; N621-K796 WeakPolarHBondContact O-CA 3.36Å; V623-K796 HydrophobicContact CG2-CB 3.57Å; E640-K796 VanDerWaalsContact CD-NZ 3.28Å; E640-K796 IonicContact OE1-NZ 3.43Å; E640-K796 PolarHBondContact OE1-NZ 2.83Å; E640-K796 WeakPolarHBondContact OE2-CD 3.45Å; E640-K796 VanDerWaalsContact OE2-CE 3.25Å; E640-K796 WeakPolarHBondContact OE2-CE 3.43Å; E640-K796 IonicContact OE2-NZ 3.6Å; E640-K796 PolarHBondContact OE2-NZ 3.12Å; L788-K796 PolarHBondContact N-O 3.2Å; L788-K796 PolarHBondContact O-N 2.94Å
797I94.6Very high78Confident0 Ų018.8 Ų18.80%010%0.099CC..EExtended strand (participates in β ladder)trans-79.6142179.1-50.8171000109.4N621 I622 V623 V765 M769 L782N621-I797 PolarHBondContact O-N 3.19Å; I622-I797 HydrophobicContact CD1-CB 3.87Å; I622-I797 HydrophobicContact CD1-CD1 4.25Å; I622-I797 HydrophobicContact CD1-CG1 4.43Å; V623-I797 PolarHBondContact N-O 2.72Å; V765-I797 HydrophobicContact CG1-CD1 3.93Å; V765-I797 HydrophobicContact CG1-CG1 4.35Å; M769-I797 HydrophobicContact CG-CD1 3.69Å; M769-I797 HydrophobicContact SD-CD1 3.74Å; M769-I797 HydrophobicContact SD-CG2 4.41Å; L782-I797 HydrophobicContact CD1-CG2 4.21Å
798C88.9Confident76.2Confident5 Ų524.4 Ų24.43%0.03413%0.125CC..  trans-155.2170.8-176.562.70000112.4V623 H779 N786 F800V623-C798 HydrophobicContact CB-CB 3.9Å; V623-C798 HydrophobicContact CG2-CB 3.61Å; H779-C798 PolarHBondContact NE2-O 2.98Å; H779-C798 VanDerWaalsContact NE2-O 3.16Å; N786-C798 WeakPolarHBondContact CB-O 3.44Å; N786-C798 PolarHBondContact O-N 2.97Å; N786-C798 PolarHBondContact O-SG 3.39Å; C798-F800 HydrophobicContact CB-CD2 4.45Å; C798-F800 HydrophobicContact CB-CE2 4.21Å; C798-F800 WeakPolarHBondContact SG-CD2 3.36Å; C798-F800 WeakPolarHBondContact SG-CE2 3.43Å
799D77.8Confident74.6Confident7 Ų724.5 Ų24.54%0.03713%0.125CC..  trans-114111.2168.4-171.7-3.8000110.5R523 K592 G801R523-D799 WeakPolarHBondContact CB-OD2 3.17Å; R523-D799 PolarHBondContact N-OD2 3.16Å; K592-D799 PolarHBondContact NZ-O 2.95Å; D799-G801 PolarHBondContact OD1-N 3.5Å
800F61.3Low73.2Confident16 Ų1630.1 Ų30.17%0.0716%0.155CC..  trans-99.721.7173.8-80.4-72.3000113.8V572 L788 C798 L802 A803 R804V572-F800 HydrophobicContact CB-CE1 4.42Å; V572-F800 HydrophobicContact CG1-CE1 4.22Å; V572-F800 HydrophobicContact CG2-CD1 4.11Å; V572-F800 HydrophobicContact CG2-CE1 4.08Å; L788-F800 HydrophobicContact CD1-CE2 3.44Å; L788-F800 VanDerWaalsContact CD1-CE2 3.44Å; L788-F800 HydrophobicContact CD1-CZ 3.57Å; L788-F800 HydrophobicContact CD2-CD2 4.36Å; L788-F800 HydrophobicContact CD2-CE2 3.5Å; L788-F800 HydrophobicContact CD2-CZ 4.17Å; L788-F800 HydrophobicContact CG-CE2 3.63Å; L788-F800 HydrophobicContact CG-CZ 4.25Å; C798-F800 HydrophobicContact CB-CD2 4.45Å; C798-F800 HydrophobicContact CB-CE2 4.21Å; C798-F800 WeakPolarHBondContact SG-CD2 3.36Å; C798-F800 WeakPolarHBondContact SG-CE2 3.43Å; F800-L802 PolarHBondContact O-N 3.07Å; F800-A803 HydrophobicContact CB-CB 4.19Å; F800-A803 HydrophobicContact CD1-CB 3.68Å; F800-A803 HydrophobicContact CG-CB 4.37Å; F800-A803 PolarHBondContact O-N 3.08Å; F800-R804 PolarHBondContact O-N 3.05Å
801G60.8Low72Confident1 Ų129.9 Ų29.91%0.0115%0.153CC..THydrogen-bonded Turntrans-50.7-28.5178.500000114.7D799D799-G801 PolarHBondContact OD1-N 3.5Å
802L57.1Low71.4Confident4 Ų428.1 Ų28.12%0.02115%0.145CC..THydrogen-bonded Turntrans-76.6-27.8174.9-77167.3000114.9Y520 G567 F569 G570 L594 L606 E609 F800Y520-L802 HydrophobicContact CD1-CD2 3.73Å; Y520-L802 HydrophobicContact CD2-CD2 3.97Å; Y520-L802 HydrophobicContact CE1-CD1 4.22Å; Y520-L802 HydrophobicContact CE1-CD2 3.41Å; Y520-L802 VanDerWaalsContact CE1-CD2 3.41Å; Y520-L802 HydrophobicContact CE1-CG 3.76Å; Y520-L802 HydrophobicContact CE2-CD2 3.66Å; Y520-L802 HydrophobicContact CE2-CG 3.77Å; Y520-L802 HydrophobicContact CG-CD2 4.04Å; Y520-L802 VanDerWaalsContact CZ-CD2 3.42Å; Y520-L802 WeakPolarHBondContact OH-CG 3.39Å; G567-L802 WeakPolarHBondContact CA-O 3.32Å; G567-L802 PolarHBondContact N-O 3.47Å; F569-L802 HydrophobicContact CB-CD2 4Å; G570-L802 CarbonylContact C-O 3.49Å; G570-L802 PolarHBondContact N-O 2.87Å; G570-L802 VanDerWaalsContact O-O 3.09Å; L594-L802 HydrophobicContact CD2-CD2 3.85Å; L606-L802 HydrophobicContact CD1-CD1 3.47Å; L606-L802 VanDerWaalsContact CD1-CD1 3.47Å; E609-L802 WeakPolarHBondContact OE2-CD1 3.49Å; F800-L802 PolarHBondContact O-N 3.07Å
803A53.4Low70.8Confident1 Ų128.7 Ų28.71%0.00814%0.144CC..THydrogen-bonded Turntrans-95.3-1.6-171.200000113.3S566 G567 V572 F800S566-A803 CarbonylContact C-O 3.42Å; S566-A803 PolarHBondContact N-O 2.95Å; G567-A803 VanDerWaalsContact CA-C 3.47Å; G567-A803 VanDerWaalsContact N-C 3.25Å; G567-A803 PolarHBondContact N-O 3.17Å; V572-A803 HydrophobicContact CB-CB 4.36Å; V572-A803 HydrophobicContact CG2-CB 3.58Å; F800-A803 HydrophobicContact CB-CB 4.19Å; F800-A803 HydrophobicContact CD1-CB 3.68Å; F800-A803 HydrophobicContact CG-CB 4.37Å; F800-A803 PolarHBondContact O-N 3.08Å
804R61.7Low69.7Low22 Ų2231.2 Ų31.28%0.08317%0.165CC..SBendtrans-114.6141.9-179.5-66.7-165.9-178.7118.515.8112.4G567 A568 R785 N786 F800 I806G567-R804 WeakPolarHBondContact CA-O 3.36Å; A568-R804 PolarHBondContact N-O 2.82Å; R785-R804 VanDerWaalsContact C-NH2 3.32Å; R785-R804 VanDerWaalsContact CD-NH1 3.27Å; R785-R804 VanDerWaalsContact CG-NH1 3.25Å; R785-R804 PolarHBondContact O-NH2 3.3Å; N786-R804 PolarHBondContact OD1-NH1 3.01Å; F800-R804 PolarHBondContact O-N 3.05Å; R804-I806 VanDerWaalsContact C-N 3.34Å; R804-I806 PolarHBondContact O-N 3.5Å; R804-I806 VanDerWaalsContact O-N 3.15Å
805D61.2Low68.2Low66 Ų6635 Ų3535%0.35318%0.181SC..  trans-85.680.9172.3-167.3-1.1000110.1M807 H808D805-M807 PolarHBondContact O-N 2.93Å; D805-M807 WeakPolarHBondContact OD1-CB 3.44Å; D805-M807 PolarHBondContact OD1-N 3.11Å; D805-H808 VanDerWaalsContact CG-ND1 3.27Å; D805-H808 PolarHBondContact O-N 2.93Å; D805-H808 IonicContact OD1-ND1 2.86Å; D805-H808 IonicContact OD2-CE1 2.89Å; D805-H808 PolarHBondContact OD2-CE1 2.69Å; D805-H808 IonicContact OD2-CG 3.35Å; D805-H808 IonicContact OD2-ND1 3.39Å; D805-H808 PolarHBondContact OD2-ND1 2.7Å
806I61.2Low66.7Low15 Ų1538.9 Ų38.98%0.07722%0.22CC..G310 helixtrans-58.9-22.3-176.9-58.2162.2000111.7R804 H808 Y812 F819R804-I806 VanDerWaalsContact C-N 3.34Å; R804-I806 PolarHBondContact O-N 3.5Å; R804-I806 VanDerWaalsContact O-N 3.15Å; I806-H808 PolarHBondContact O-N 2.66Å; I806-Y812 HydrophobicContact CG2-CD1 3.98Å; I806-Y812 HydrophobicContact CG2-CD2 4.11Å; I806-Y812 HydrophobicContact CG2-CG 3.7Å; I806-F819 HydrophobicContact CG2-CB 3.32Å; I806-F819 HydrophobicContact CG2-CD1 4.17Å; I806-F819 HydrophobicContact CG2-CD2 4.23Å; I806-F819 HydrophobicContact CG2-CG 3.67Å
807M58.2Low64.6Low101 Ų10142.4 Ų42.450%0.49825%0.246SC..G310 helixtrans-67.2-23.1178.7-59.8-68.8-67.500112.9P518 D805 F819P518-M807 HydrophobicContact CG-SD 4.14Å; D805-M807 PolarHBondContact O-N 2.93Å; D805-M807 WeakPolarHBondContact OD1-CB 3.44Å; D805-M807 PolarHBondContact OD1-N 3.11Å; M807-F819 HydrophobicContact CE-CE2 4.49Å; M807-F819 HydrophobicContact CE-CZ 4.09Å; M807-F819 HydrophobicContact SD-CD2 4.41Å; M807-F819 HydrophobicContact SD-CE1 4.39Å; M807-F819 HydrophobicContact SD-CE2 3.35Å; M807-F819 WeakPolarHBondContact SD-CE2 3.43Å; M807-F819 HydrophobicContact SD-CZ 3.34Å; M807-F819 WeakPolarHBondContact SD-CZ 3.49Å
808H56.9Low62.9Low117 Ų11745 Ų4554%0.54226%0.263SS..G310 helixtrans-114.96.3-176.6-62.7101.1000113.1M697 D805 I806M697-H808 HydrophobicContact CE-CB 4.38Å; D805-H808 VanDerWaalsContact CG-ND1 3.27Å; D805-H808 PolarHBondContact O-N 2.93Å; D805-H808 IonicContact OD1-ND1 2.86Å; D805-H808 IonicContact OD2-CE1 2.89Å; D805-H808 PolarHBondContact OD2-CE1 2.69Å; D805-H808 IonicContact OD2-CG 3.35Å; D805-H808 IonicContact OD2-ND1 3.39Å; D805-H808 PolarHBondContact OD2-ND1 2.7Å; I806-H808 PolarHBondContact O-N 2.66Å
809D60.5Low61.9Low12 Ų1247.4 Ų47.46%0.06427%0.272CS..  trans-93.8110.6179.7-172.3-10.2000110.9N811 Y812D809-N811 PolarHBondContact O-N 3.45Å; D809-N811 WeakPolarHBondContact OD1-CB 3.34Å; D809-N811 PolarHBondContact OD1-N 2.88Å; D809-N811 PolarHBondContact OD1-ND2 3.11Å; D809-Y812 HydrophobicContact CB-CD2 3.85Å; D809-Y812 PolarHBondContact O-N 3.1Å; D809-Y812 VanDerWaalsContact OD2-CD2 3.3Å; D809-Y812 WeakPolarHBondContact OD2-CD2 3.4Å; D809-Y812 VanDerWaalsContact OD2-CE2 3.25Å; D809-Y812 WeakPolarHBondContact OD2-CE2 3.31Å
810N62.8Low62Low118 Ų11848.1 Ų48.163%0.63128%0.276SS*.THydrogen-bonded Turntrans-60.5-14.7178.5-69.5-21.5000113.4Y812N810-Y812 VanDerWaalsContact C-N 3.32Å
811N62.3Low63.1Low8 Ų847.6 Ų47.64%0.04327%0.274CS..THydrogen-bonded Turntrans-79.7-13.3175.7-62.8-62.6000113.4D809 W824D809-N811 PolarHBondContact O-N 3.45Å; D809-N811 WeakPolarHBondContact OD1-CB 3.34Å; D809-N811 PolarHBondContact OD1-N 2.88Å; D809-N811 PolarHBondContact OD1-ND2 3.11Å; N811-W824 HydrophobicContact CB-CH2 4.06Å; N811-W824 HydrophobicContact CB-CZ3 3.81Å
812Y66.9Low64.4Low14 Ų1447.7 Ų47.76%0.05528%0.275CS..  trans-105.8131.4176.2-71.6-91.5000111.1R523 D781 R785 I806 D809 N810 F819 L820 P821R523-Y812 PolarHBondContact NH1-OH 3.31Å; D781-Y812 PolarHBondContact OD1-OH 2.71Å; D781-Y812 PolarHBondContact OD2-OH 3.05Å; R785-Y812 PolarHBondContact NE-OH 3.36Å; R785-Y812 PolarHBondContact NH2-OH 3.29Å; I806-Y812 HydrophobicContact CG2-CD1 3.98Å; I806-Y812 HydrophobicContact CG2-CD2 4.11Å; I806-Y812 HydrophobicContact CG2-CG 3.7Å; D809-Y812 HydrophobicContact CB-CD2 3.85Å; D809-Y812 PolarHBondContact O-N 3.1Å; D809-Y812 VanDerWaalsContact OD2-CD2 3.3Å; D809-Y812 WeakPolarHBondContact OD2-CD2 3.4Å; D809-Y812 VanDerWaalsContact OD2-CE2 3.25Å; D809-Y812 WeakPolarHBondContact OD2-CE2 3.31Å; N810-Y812 VanDerWaalsContact C-N 3.32Å; Y812-F819 HydrophobicContact CD1-CB 4.41Å; Y812-L820 WeakPolarHBondContact CA-O 3.43Å; Y812-P821 HydrophobicContact CD1-CB 4.12Å; Y812-P821 HydrophobicContact CE1-CB 3.61Å; Y812-P821 HydrophobicContact CE1-CG 4.08Å
813V71.1Confident66Low34 Ų3448.6 Ų48.621%0.20628%0.278CS..EExtended strand (participates in β ladder)trans-108.6133.3177.8-176.40000109.4K815 L820 V822 V864V813-K815 PolarHBondContact O-N 3.05Å; V813-L820 PolarHBondContact N-O 3.43Å; V813-L820 PolarHBondContact O-N 3.08Å; V813-V822 HydrophobicContact CB-CG2 3.8Å; V813-V822 HydrophobicContact CG2-CB 4.33Å; V813-V822 HydrophobicContact CG2-CG2 4.04Å; V813-V864 HydrophobicContact CG2-CB 3.74Å; V813-V864 HydrophobicContact CG2-CG1 3.75Å; V813-V864 HydrophobicContact CG2-CG2 4.13Å
814S63.7Low68Low81 Ų8148.6 Ų48.657%0.56628%0.278SS*.EExtended strand (participates in β ladder)trans-70.1117.6174.160.80000110.2
815K61.3Low69.4Low103 Ų10348 Ų4845%0.44828%0.276SS..EExtended strand (participates in β ladder)trans-123.995.8171.6-168177.4179.2-174.80108.7V813 T818 L820 I830V813-K815 PolarHBondContact O-N 3.05Å; K815-T818 PolarHBondContact N-O 2.74Å; K815-T818 PolarHBondContact O-OG1 3Å; K815-L820 HydrophobicContact CB-CD1 3.91Å; K815-L820 HydrophobicContact CD-CD1 3.98Å; K815-I830 PolarHBondContact NZ-O 2.98Å
816G63.5Low71Confident81 Ų8144.8 Ų44.884%0.83526%0.259SS*.THydrogen-bonded Turntrans76.2-121.8-173.400000111.7
817S50.8Low72.4Confident85 Ų8544.8 Ų44.859%0.59426%0.26SS*.THydrogen-bonded Turntrans-98.63.8178.958.40000114.1
818T60.2Low74Confident55 Ų5540.6 Ų40.634%0.33724%0.239SC..EExtended strand (participates in β ladder)trans-123153.8-176.4580000112.1K815K815-T818 PolarHBondContact N-O 2.74Å; K815-T818 PolarHBondContact O-OG1 3Å
819F68.3Low75.5Confident54 Ų5435.2 Ų35.224%0.23722%0.215CC..EExtended strand (participates in β ladder)trans-106124.6176.5-71.5-87.2000109.6P518 I806 M807 Y812P518-F819 HydrophobicContact CB-CE2 4.24Å; P518-F819 HydrophobicContact CG-CE2 4.34Å; I806-F819 HydrophobicContact CG2-CB 3.32Å; I806-F819 HydrophobicContact CG2-CD1 4.17Å; I806-F819 HydrophobicContact CG2-CD2 4.23Å; I806-F819 HydrophobicContact CG2-CG 3.67Å; M807-F819 HydrophobicContact CE-CE2 4.49Å; M807-F819 HydrophobicContact CE-CZ 4.09Å; M807-F819 HydrophobicContact SD-CD2 4.41Å; M807-F819 HydrophobicContact SD-CE1 4.39Å; M807-F819 HydrophobicContact SD-CE2 3.35Å; M807-F819 WeakPolarHBondContact SD-CE2 3.43Å; M807-F819 HydrophobicContact SD-CZ 3.34Å; M807-F819 WeakPolarHBondContact SD-CZ 3.49Å; Y812-F819 HydrophobicContact CD1-CB 4.41Å
820L77.9Confident76.7Confident22 Ų2235 Ų3512%0.11521%0.214CC..EExtended strand (participates in β ladder)trans-120.7137.7-171-63.8179000111.6Y812 V813 K815 V822 M825Y812-L820 WeakPolarHBondContact CA-O 3.43Å; V813-L820 PolarHBondContact N-O 3.43Å; V813-L820 PolarHBondContact O-N 3.08Å; K815-L820 HydrophobicContact CB-CD1 3.91Å; K815-L820 HydrophobicContact CD-CD1 3.98Å; L820-V822 HydrophobicContact CB-CG2 4.18Å; L820-V822 PolarHBondContact O-N 3.33Å; L820-M825 HydrophobicContact CB-SD 3.73Å; L820-M825 HydrophobicContact CD1-CE 4.27Å; L820-M825 HydrophobicContact CD1-SD 4.41Å; L820-M825 HydrophobicContact CG-SD 4.46Å
821P86.1Confident77.8Confident6 Ų633.1 Ų33.14%0.03920%0.2CC..  trans-79.163.1179.235-37.1000111D781 R785 Y812 K823 W824 M825D781-P821 HydrophobicContact CB-CG 4.47Å; D781-P821 WeakPolarHBondContact OD1-CB 3.28Å; D781-P821 VanDerWaalsContact OD1-CG 3.27Å; D781-P821 WeakPolarHBondContact OD1-CG 3.46Å; R785-P821 VanDerWaalsContact NH2-CB 3.28Å; Y812-P821 HydrophobicContact CD1-CB 4.12Å; Y812-P821 HydrophobicContact CE1-CB 3.61Å; Y812-P821 HydrophobicContact CE1-CG 4.08Å; P821-K823 PolarHBondContact O-N 3.49Å; P821-W824 HydrophobicContact CB-CE3 4.26Å; P821-W824 PolarHBondContact O-N 3.25Å; P821-M825 HydrophobicContact CG-CG 4.11Å; P821-M825 HydrophobicContact CG-SD 4.39Å; P821-M825 WeakPolarHBondContact O-CG 3.49Å; P821-M825 PolarHBondContact O-N 3.07Å
822V87.9Confident78.8Confident3 Ų338.5 Ų38.52%0.01823%0.229CC..G310 helixtrans-53.4-35.8-163.2176.60000114V813 L820 W824 M825 I830 V864 F868 Y869V813-V822 HydrophobicContact CB-CG2 3.8Å; V813-V822 HydrophobicContact CG2-CB 4.33Å; V813-V822 HydrophobicContact CG2-CG2 4.04Å; L820-V822 HydrophobicContact CB-CG2 4.18Å; L820-V822 PolarHBondContact O-N 3.33Å; V822-W824 PolarHBondContact O-N 3.35Å; V822-M825 PolarHBondContact O-N 3.24Å; V822-I830 HydrophobicContact CG1-CD1 4.11Å; V822-I830 HydrophobicContact CG1-CG1 4.46Å; V822-V864 HydrophobicContact CB-CG1 3.96Å; V822-V864 HydrophobicContact CG1-CG1 3.59Å; V822-V864 HydrophobicContact CG2-CG1 4.44Å; V822-F868 HydrophobicContact CG1-CD1 4.38Å; V822-F868 HydrophobicContact CG1-CE1 3.95Å; V822-Y869 HydrophobicContact CG1-CE1 3.75Å
823K91.2Very high79.5Confident22 Ų2243.1 Ų43.110%0.09626%0.255CS..G310 helixtrans-66-21.5178.8-68.8-178.1168.2-1610114.2P821 P858 Y859 M862 V864 F868P821-K823 PolarHBondContact O-N 3.49Å; K823-P858 HydrophobicContact CB-CB 4.4Å; K823-P858 WeakPolarHBondContact CD-O 3.41Å; K823-P858 PolarHBondContact NZ-O 3.28Å; K823-Y859 HydrophobicContact CB-CD2 4.18Å; K823-Y859 HydrophobicContact CG-CD2 4.26Å; K823-Y859 WeakPolarHBondContact O-CE2 3.29Å; K823-M862 WeakPolarHBondContact CE-O 2.95Å; K823-M862 PolarHBondContact NZ-O 2.95Å; K823-V864 HydrophobicContact CD-CG2 4.4Å; K823-V864 HydrophobicContact CG-CG2 3.84Å; K823-F868 HydrophobicContact CG-CE2 4.37Å; K823-F868 HydrophobicContact CG-CZ 4.17Å
824W93.9Very high80.1Confident2 Ų244.1 Ų44.11%0.00826%0.258CS..G310 helixtrans-96.9-14.8177.8-71.1-100.8000112.9A783 R785 N811 P821 V822 W842 S843 I846 E850 P858A783-W824 VanDerWaalsContact CB-CD1 3.49Å; A783-W824 HydrophobicContact CB-CD2 4.29Å; A783-W824 HydrophobicContact CB-CG 4.08Å; R785-W824 VanDerWaalsContact NH1-CE2 3.26Å; R785-W824 VanDerWaalsContact NH1-CH2 3.31Å; N811-W824 HydrophobicContact CB-CH2 4.06Å; N811-W824 HydrophobicContact CB-CZ3 3.81Å; P821-W824 HydrophobicContact CB-CE3 4.26Å; P821-W824 PolarHBondContact O-N 3.25Å; V822-W824 PolarHBondContact O-N 3.35Å; W824-W842 VanDerWaalsContact O-CD1 3.29Å; W824-S843 WeakPolarHBondContact O-CA 3.24Å; W824-S843 PolarHBondContact O-OG 3.34Å; W824-S843 VanDerWaalsContact O-OG 3.04Å; W824-I846 VanDerWaalsContact CD1-CG2 3.42Å; W824-I846 HydrophobicContact CD2-CG2 4.35Å; W824-I846 HydrophobicContact CG-CB 4.47Å; W824-I846 HydrophobicContact CG-CG2 3.93Å; W824-E850 VanDerWaalsContact CZ2-OE1 3.28Å; W824-E850 WeakPolarHBondContact CZ2-OE1 3.26Å; W824-E850 VanDerWaalsContact NE1-CD 3.27Å; W824-E850 PolarHBondContact NE1-OE2 3.43Å; W824-P858 HydrophobicContact CH2-CG 4.1Å; W824-P858 HydrophobicContact CZ2-CG 3.54Å
825M91.6Very high81.1Confident8 Ų840.6 Ų40.64%0.03923%0.233CC..SBendtrans-80.2144-171.4-68.41746600113L820 P821 V822 S829 I830 Y835 W842L820-M825 HydrophobicContact CB-SD 3.73Å; L820-M825 HydrophobicContact CD1-CE 4.27Å; L820-M825 HydrophobicContact CD1-SD 4.41Å; L820-M825 HydrophobicContact CG-SD 4.46Å; P821-M825 HydrophobicContact CG-CG 4.11Å; P821-M825 HydrophobicContact CG-SD 4.39Å; P821-M825 WeakPolarHBondContact O-CG 3.49Å; P821-M825 PolarHBondContact O-N 3.07Å; V822-M825 PolarHBondContact O-N 3.24Å; M825-S829 WeakPolarHBondContact CE-O 3.33Å; M825-I830 HydrophobicContact CB-CD1 4.02Å; M825-I830 HydrophobicContact CB-CG1 3.56Å; M825-I830 HydrophobicContact CE-CG1 4.23Å; M825-I830 WeakPolarHBondContact O-CD1 3.47Å; M825-I830 HydrophobicContact SD-CG1 4.48Å; M825-Y835 HydrophobicContact CE-CE1 4.04Å; M825-Y835 WeakPolarHBondContact CE-OH 3.43Å; M825-W842 PolarHBondContact O-NE1 3.07Å; M825-W842 VanDerWaalsContact O-NE1 3.11Å
826A93.7Very high82.4Confident0 Ų036.1 Ų36.10%021%0.214CC..  trans-68.8154.3171.900000111.7E828 S829 I830 W842A826-E828 VanDerWaalsContact C-N 3.31Å; A826-E828 VanDerWaalsContact CB-CD 3.44Å; A826-E828 WeakPolarHBondContact CB-OE1 3.47Å; A826-E828 WeakPolarHBondContact CB-OE2 3.5Å; A826-E828 PolarHBondContact O-N 3.39Å; A826-S829 WeakPolarHBondContact O-CA 3.48Å; A826-S829 WeakPolarHBondContact O-CB 3.39Å; A826-S829 PolarHBondContact O-N 3.06Å; A826-I830 WeakPolarHBondContact O-CG1 3.45Å; A826-I830 PolarHBondContact O-N 3.25Å; A826-W842 HydrophobicContact CB-CB 3.7Å; A826-W842 HydrophobicContact CB-CD2 4.06Å; A826-W842 HydrophobicContact CB-CE3 4.47Å; A826-W842 HydrophobicContact CB-CG 3.7Å
827P91.7Very high83.7Confident15 Ų1533.8 Ų33.810%0.09719%0.185CC..Hα-helixtrans-53.9-44.1179.1-26.835.1000113.2S829 I830 F831 W842 I872P827-S829 VanDerWaalsContact C-N 3.3Å; P827-S829 PolarHBondContact O-N 3.29Å; P827-I830 PolarHBondContact O-N 2.95Å; P827-I830 VanDerWaalsContact O-N 3.17Å; P827-F831 HydrophobicContact CB-CD2 4.16Å; P827-F831 HydrophobicContact CB-CE2 4.24Å; P827-F831 WeakPolarHBondContact O-CB 3.33Å; P827-F831 WeakPolarHBondContact O-CD2 3.48Å; P827-F831 PolarHBondContact O-N 3.5Å; P827-W842 HydrophobicContact CG-CE3 4.35Å; P827-W842 HydrophobicContact CG-CH2 3.57Å; P827-W842 HydrophobicContact CG-CZ2 4.16Å; P827-W842 HydrophobicContact CG-CZ3 3.69Å; P827-I872 HydrophobicContact CG-CG2 4.09Å
828E90.8Very high85.8Confident12 Ų1231.3 Ų31.36%0.05617%0.165CC..Hα-helixtrans-65.7-31177.469.5-78.8-173.600112.6A826 D832 N833 L834 P900 R903A826-E828 VanDerWaalsContact C-N 3.31Å; A826-E828 VanDerWaalsContact CB-CD 3.44Å; A826-E828 WeakPolarHBondContact CB-OE1 3.47Å; A826-E828 WeakPolarHBondContact CB-OE2 3.5Å; A826-E828 PolarHBondContact O-N 3.39Å; E828-D832 CarbonylContact O-C 3.54Å; E828-D832 VanDerWaalsContact O-C 3.32Å; E828-D832 VanDerWaalsContact O-CA 3.29Å; E828-D832 WeakPolarHBondContact O-CA 3.18Å; E828-D832 WeakPolarHBondContact O-CB 3.47Å; E828-D832 PolarHBondContact O-N 3.04Å; E828-N833 PolarHBondContact O-N 3.05Å; E828-L834 HydrophobicContact CB-CB 4.32Å; E828-L834 HydrophobicContact CG-CB 4.27Å; E828-L834 HydrophobicContact CG-CD2 4.35Å; E828-L834 PolarHBondContact O-N 3.35Å; E828-L834 VanDerWaalsContact O-N 3.15Å; E828-P900 HydrophobicContact CG-CG 4.32Å; E828-R903 IonicContact OE1-CZ 3.19Å; E828-R903 IonicContact OE1-NH1 3.99Å; E828-R903 PolarHBondContact OE1-NH1 3.48Å; E828-R903 IonicContact OE1-NH2 3.21Å; E828-R903 PolarHBondContact OE1-NH2 3Å; E828-R903 IonicContact OE2-CZ 3.54Å; E828-R903 IonicContact OE2-NH1 2.72Å; E828-R903 IonicContact OE2-NH2 3.09Å; E828-R903 PolarHBondContact OE2-NH2 3.14Å
829S89.6Confident87.4Confident4 Ų428.8 Ų28.83%0.02815%0.149CC..Hα-helixtrans-72.4-36.1173.2-50.30000111.7M825 A826 P827 N833 L834 S839M825-S829 WeakPolarHBondContact CE-O 3.33Å; A826-S829 WeakPolarHBondContact O-CA 3.48Å; A826-S829 WeakPolarHBondContact O-CB 3.39Å; A826-S829 PolarHBondContact O-N 3.06Å; P827-S829 VanDerWaalsContact C-N 3.3Å; P827-S829 PolarHBondContact O-N 3.29Å; S829-N833 WeakPolarHBondContact O-CA 3.47Å; S829-L834 WeakPolarHBondContact CA-O 3.28Å; S829-L834 WeakPolarHBondContact CB-O 3.47Å; S829-L834 PolarHBondContact N-O 3.41Å; S829-L834 PolarHBondContact OG-O 3.44Å; S829-S839 WeakPolarHBondContact OG-CB 3.39Å
830I86.1Confident88.7Confident7 Ų726.2 Ų26.24%0.03614%0.138CC..Hα-helixtrans-72.5-47.6178.8-66.4170.3000111.1K815 V822 M825 A826 P827 Y869K815-I830 PolarHBondContact NZ-O 2.98Å; V822-I830 HydrophobicContact CG1-CD1 4.11Å; V822-I830 HydrophobicContact CG1-CG1 4.46Å; M825-I830 HydrophobicContact CB-CD1 4.02Å; M825-I830 HydrophobicContact CB-CG1 3.56Å; M825-I830 HydrophobicContact CE-CG1 4.23Å; M825-I830 WeakPolarHBondContact O-CD1 3.47Å; M825-I830 HydrophobicContact SD-CG1 4.48Å; A826-I830 WeakPolarHBondContact O-CG1 3.45Å; A826-I830 PolarHBondContact O-N 3.25Å; P827-I830 PolarHBondContact O-N 2.95Å; P827-I830 VanDerWaalsContact O-N 3.17Å; I830-Y869 HydrophobicContact CG2-CD1 3.63Å; I830-Y869 HydrophobicContact CG2-CE1 3.48Å; I830-Y869 VanDerWaalsContact CG2-CE1 3.48Å
831F85.6Confident89.6Confident79 Ų7925.2 Ų25.235%0.34613%0.133SC..Hα-helixtrans-95-38-169.4-60.5-61.4000112.8P827 Y869 K873P827-F831 HydrophobicContact CB-CD2 4.16Å; P827-F831 HydrophobicContact CB-CE2 4.24Å; P827-F831 WeakPolarHBondContact O-CB 3.33Å; P827-F831 WeakPolarHBondContact O-CD2 3.48Å; P827-F831 PolarHBondContact O-N 3.5Å; F831-Y869 HydrophobicContact CE1-CD1 4.01Å; F831-Y869 HydrophobicContact CE1-CG 4.42Å; F831-Y869 HydrophobicContact CZ-CD1 4.17Å; F831-K873 HydrophobicContact CE2-CB 4.33Å; F831-K873 HydrophobicContact CZ-CB 4.29Å
832D83.3Confident90.2Very high121 Ų12125 Ų2565%0.64713%0.131SC*.SBendtrans-111-0.4-171.5-47.7-47000112.6E828 L834E828-D832 CarbonylContact O-C 3.54Å; E828-D832 VanDerWaalsContact O-C 3.32Å; E828-D832 VanDerWaalsContact O-CA 3.29Å; E828-D832 WeakPolarHBondContact O-CA 3.18Å; E828-D832 WeakPolarHBondContact O-CB 3.47Å; E828-D832 PolarHBondContact O-N 3.04Å; D832-L834 PolarHBondContact O-N 2.95Å
833N81.1Confident90.6Very high112 Ų11225.2 Ų25.260%0.59913%0.133SC*.  trans56.829.6-177.8-16550.1000113.4E828 S829 Y835E828-N833 PolarHBondContact O-N 3.05Å; S829-N833 WeakPolarHBondContact O-CA 3.47Å; N833-Y835 WeakPolarHBondContact OD1-CE2 3.42Å
834L83.2Confident90.9Very high54 Ų5424.1 Ų24.128%0.28313%0.128SC..  trans-94.1125.4-179.3-171.966.1000110.6Y537 E828 S829 D832 T836Y537-L834 HydrophobicContact CD2-CD1 3.66Å; Y537-L834 HydrophobicContact CE2-CD1 3.92Å; E828-L834 HydrophobicContact CB-CB 4.32Å; E828-L834 HydrophobicContact CG-CB 4.27Å; E828-L834 HydrophobicContact CG-CD2 4.35Å; E828-L834 PolarHBondContact O-N 3.35Å; E828-L834 VanDerWaalsContact O-N 3.15Å; S829-L834 WeakPolarHBondContact CA-O 3.28Å; S829-L834 WeakPolarHBondContact CB-O 3.47Å; S829-L834 PolarHBondContact N-O 3.41Å; S829-L834 PolarHBondContact OG-O 3.44Å; D832-L834 PolarHBondContact O-N 2.95Å; L834-T836 HydrophobicContact CD1-CG2 4.39Å; L834-T836 HydrophobicContact CD2-CG2 4.46Å; L834-T836 HydrophobicContact CG-CG2 4.09Å
835Y85Confident91.1Very high8 Ų824 Ų243%0.03113%0.128CC..  trans-122.3121.3177.8-62.6-89.3000110Y539 R780 M825 N833Y539-Y835 PolarHBondContact OH-O 3.28Å; R780-Y835 HydrophobicContact CB-CD1 3.93Å; R780-Y835 HydrophobicContact CB-CE1 4.27Å; R780-Y835 HydrophobicContact CG-CD1 3.64Å; R780-Y835 HydrophobicContact CG-CE1 4.41Å; R780-Y835 HydrophobicContact CG-CG 3.89Å; M825-Y835 HydrophobicContact CE-CE1 4.04Å; M825-Y835 WeakPolarHBondContact CE-OH 3.43Å; N833-Y835 WeakPolarHBondContact OD1-CE2 3.42Å
836T89.2Confident91.4Very high8 Ų823.7 Ų23.75%0.04913%0.126CC..  trans-140.5169.4-178.467.10000110Y537 L834 L838 S839 D840Y537-T836 HydrophobicContact CD1-CG2 4.48Å; Y537-T836 HydrophobicContact CD2-CG2 4.22Å; Y537-T836 HydrophobicContact CE1-CG2 3.93Å; Y537-T836 HydrophobicContact CE2-CG2 3.64Å; Y537-T836 VanDerWaalsContact CZ-CG2 3.48Å; L834-T836 HydrophobicContact CD1-CG2 4.39Å; L834-T836 HydrophobicContact CD2-CG2 4.46Å; L834-T836 HydrophobicContact CG-CG2 4.09Å; T836-L838 PolarHBondContact O-N 3.01Å; T836-L838 VanDerWaalsContact O-N 3.11Å; T836-L838 PolarHBondContact OG1-N 3.47Å; T836-S839 PolarHBondContact N-OG 2.92Å; T836-S839 WeakPolarHBondContact O-CA 3.47Å; T836-S839 WeakPolarHBondContact O-CB 3.34Å; T836-S839 PolarHBondContact O-N 3.18Å; T836-S839 PolarHBondContact O-OG 3.4Å; T836-S839 PolarHBondContact OG1-N 3.38Å; T836-D840 PolarHBondContact O-N 2.92Å; T836-D840 VanDerWaalsContact O-N 3.11Å
837S90.5Very high91.5Very high32 Ų3223.7 Ų23.722%0.22413%0.126CC..Hα-helixtrans-55.7-28.4170.8-49.20000112.3D840 V841S837-D840 WeakPolarHBondContact O-CB 3.2Å; S837-D840 PolarHBondContact O-N 3.4Å; S837-V841 WeakPolarHBondContact O-CG2 3.38Å; S837-V841 PolarHBondContact O-N 2.74Å
838L94.4Very high91.8Very high33 Ų3323 Ų2317%0.17312%0.121CC..Hα-helixtrans-75.8-27.9176.3-59.3171.1000112.8T836 V841 W842 P900 R903T836-L838 PolarHBondContact O-N 3.01Å; T836-L838 VanDerWaalsContact O-N 3.11Å; T836-L838 PolarHBondContact OG1-N 3.47Å; L838-V841 WeakPolarHBondContact O-CB 3.12Å; L838-V841 PolarHBondContact O-N 3.4Å; L838-W842 PolarHBondContact O-N 3.49Å; L838-P900 HydrophobicContact CB-CB 4.14Å; L838-P900 HydrophobicContact CD1-CB 4.02Å; L838-R903 HydrophobicContact CD2-CB 4.46Å; L838-R903 WeakPolarHBondContact O-CD 3.45Å; L838-R903 PolarHBondContact O-NH1 3.1Å
839S94.3Very high92.1Very high2 Ų223.1 Ų23.11%0.01412%0.122CC..Hα-helixtrans-72-31.5169.272.50000112S829 T836 W842 S843S829-S839 WeakPolarHBondContact OG-CB 3.39Å; T836-S839 PolarHBondContact N-OG 2.92Å; T836-S839 WeakPolarHBondContact O-CA 3.47Å; T836-S839 WeakPolarHBondContact O-CB 3.34Å; T836-S839 PolarHBondContact O-N 3.18Å; T836-S839 PolarHBondContact O-OG 3.4Å; T836-S839 PolarHBondContact OG1-N 3.38Å; S839-W842 WeakPolarHBondContact O-CB 3.32Å; S839-W842 PolarHBondContact O-N 3.14Å; S839-S843 PolarHBondContact O-N 3.4Å; S839-S843 PolarHBondContact O-OG 3Å; S839-S843 VanDerWaalsContact O-OG 3.1Å
840D95.2Very high92.4Very high1 Ų123.1 Ų23.11%0.00512%0.121CC..Hα-helixtrans-69.3-34.2170.4-76.9-20.5000111.5M769 V778 H779 R780 T836 S837 W842 S843 Y844 F906M769-D840 HydrophobicContact CE-CB 3.77Å; V778-D840 WeakPolarHBondContact CA-OD2 3.35Å; V778-D840 VanDerWaalsContact CG1-OD2 3.29Å; V778-D840 WeakPolarHBondContact CG1-OD2 3.44Å; H779-D840 PolarHBondContact N-OD2 2.71Å; R780-D840 PolarHBondContact N-OD1 3.12Å; T836-D840 PolarHBondContact O-N 2.92Å; T836-D840 VanDerWaalsContact O-N 3.11Å; S837-D840 WeakPolarHBondContact O-CB 3.2Å; S837-D840 PolarHBondContact O-N 3.4Å; D840-W842 VanDerWaalsContact C-N 3.29Å; D840-W842 PolarHBondContact O-N 3Å; D840-S843 CarbonylContact O-C 3.58Å; D840-S843 WeakPolarHBondContact O-CB 3.13Å; D840-S843 PolarHBondContact O-N 2.93Å; D840-S843 VanDerWaalsContact O-N 3.12Å; D840-Y844 PolarHBondContact O-N 2.91Å; D840-F906 HydrophobicContact CB-CE2 3.92Å; D840-F906 HydrophobicContact CB-CZ 3.98Å
841V97.7Very high92.9Very high1 Ų122.8 Ų22.81%0.00612%0.12CC..Hα-helixtrans-59.8-40172.3167.70000111.4S837 L838 S843 Y844 G845 C895 R903 P904 F906 L909S837-V841 WeakPolarHBondContact O-CG2 3.38Å; S837-V841 PolarHBondContact O-N 2.74Å; L838-V841 WeakPolarHBondContact O-CB 3.12Å; L838-V841 PolarHBondContact O-N 3.4Å; V841-S843 VanDerWaalsContact C-N 3.34Å; V841-Y844 WeakPolarHBondContact O-CB 3.32Å; V841-Y844 PolarHBondContact O-N 2.94Å; V841-G845 PolarHBondContact O-N 3.04Å; V841-G845 VanDerWaalsContact O-N 3.08Å; V841-C895 HydrophobicContact CG1-CB 4.08Å; V841-C895 WeakPolarHBondContact O-CB 3.15Å; V841-R903 HydrophobicContact CG1-CB 3.9Å; V841-P904 HydrophobicContact CG1-CG 4.37Å; V841-P904 WeakPolarHBondContact CG1-O 3.17Å; V841-P904 VanDerWaalsContact CG2-O 3.31Å; V841-P904 WeakPolarHBondContact CG2-O 3.37Å; V841-F906 HydrophobicContact CB-CZ 4.46Å; V841-F906 HydrophobicContact CG2-CD1 4.5Å; V841-F906 HydrophobicContact CG2-CD2 3.99Å; V841-F906 HydrophobicContact CG2-CE1 4.24Å; V841-F906 HydrophobicContact CG2-CE2 3.7Å; V841-F906 HydrophobicContact CG2-CG 4.38Å; V841-F906 HydrophobicContact CG2-CZ 3.83Å; V841-L909 HydrophobicContact CG1-CD1 4.08Å; V841-L909 HydrophobicContact CG2-CD1 4.31Å
842W97.6Very high93.4Very high1 Ų119 Ų190%0.00410%0.103CC..Hα-helixtrans-59.8-47.8172.7176.1-73.9000111.3W824 M825 A826 P827 L838 S839 D840 Y844 G845 I846 I872 W896W824-W842 VanDerWaalsContact O-CD1 3.29Å; M825-W842 PolarHBondContact O-NE1 3.07Å; M825-W842 VanDerWaalsContact O-NE1 3.11Å; A826-W842 HydrophobicContact CB-CB 3.7Å; A826-W842 HydrophobicContact CB-CD2 4.06Å; A826-W842 HydrophobicContact CB-CE3 4.47Å; A826-W842 HydrophobicContact CB-CG 3.7Å; P827-W842 HydrophobicContact CG-CE3 4.35Å; P827-W842 HydrophobicContact CG-CH2 3.57Å; P827-W842 HydrophobicContact CG-CZ2 4.16Å; P827-W842 HydrophobicContact CG-CZ3 3.69Å; L838-W842 PolarHBondContact O-N 3.49Å; S839-W842 WeakPolarHBondContact O-CB 3.32Å; S839-W842 PolarHBondContact O-N 3.14Å; D840-W842 VanDerWaalsContact C-N 3.29Å; D840-W842 PolarHBondContact O-N 3Å; W842-Y844 VanDerWaalsContact C-N 3.27Å; W842-Y844 PolarHBondContact O-N 3.1Å; W842-G845 WeakPolarHBondContact O-CA 2.96Å; W842-G845 PolarHBondContact O-N 2.81Å; W842-I846 PolarHBondContact O-N 3.38Å; W842-I872 HydrophobicContact CZ2-CG2 4.49Å; W842-W896 AromaticContact CD2-CD1 3.81Å; W842-W896 AromaticContact CE2-CD1 3.9Å; W842-W896 HydrophobicContact CE3-CB 4.12Å; W842-W896 HydrophobicContact CH2-CB 4.19Å; W842-W896 HydrophobicContact CZ3-CB 3.93Å; W842-W896 WeakPolarHBondContact CZ3-O 3.38Å; W842-W896 PolarHBondContact O-NE1 3.19Å
843S97.1Very high93.9Very high7 Ų714.4 Ų14.45%0.0498%0.079CC..Hα-helixtrans-60.9-37.6179.3-53.40000111.4W824 S839 D840 V841 G845 I846 L847W824-S843 WeakPolarHBondContact O-CA 3.24Å; W824-S843 PolarHBondContact O-OG 3.34Å; W824-S843 VanDerWaalsContact O-OG 3.04Å; S839-S843 PolarHBondContact O-N 3.4Å; S839-S843 PolarHBondContact O-OG 3Å; S839-S843 VanDerWaalsContact O-OG 3.1Å; D840-S843 CarbonylContact O-C 3.58Å; D840-S843 WeakPolarHBondContact O-CB 3.13Å; D840-S843 PolarHBondContact O-N 2.93Å; D840-S843 VanDerWaalsContact O-N 3.12Å; V841-S843 VanDerWaalsContact C-N 3.34Å; S843-G845 PolarHBondContact O-N 3.3Å; S843-I846 WeakPolarHBondContact O-CB 3.34Å; S843-I846 PolarHBondContact O-N 3.33Å; S843-I846 VanDerWaalsContact O-N 3.16Å; S843-L847 PolarHBondContact O-N 2.86Å
844Y98Very high94.4Very high0 Ų09.1 Ų9.10%05%0.051CC..Hα-helixtrans-61.4-40.8172.6176.7-98.2000112T762 V765 A766 L782 D840 V841 W842 I846 L847 L848 F906 L909T762-Y844 VanDerWaalsContact CG2-OH 3.3Å; T762-Y844 WeakPolarHBondContact CG2-OH 3.09Å; T762-Y844 PolarHBondContact O-OH 3.13Å; T762-Y844 VanDerWaalsContact O-OH 3.07Å; V765-Y844 HydrophobicContact CB-CE2 4.29Å; V765-Y844 HydrophobicContact CG1-CD2 4.02Å; V765-Y844 HydrophobicContact CG1-CE2 4.02Å; A766-Y844 HydrophobicContact CB-CE2 4.13Å; L782-Y844 HydrophobicContact CD2-CD2 4.37Å; D840-Y844 PolarHBondContact O-N 2.91Å; V841-Y844 WeakPolarHBondContact O-CB 3.32Å; V841-Y844 PolarHBondContact O-N 2.94Å; W842-Y844 VanDerWaalsContact C-N 3.27Å; W842-Y844 PolarHBondContact O-N 3.1Å; Y844-I846 VanDerWaalsContact C-N 3.28Å; Y844-I846 PolarHBondContact O-N 3.33Å; Y844-L847 HydrophobicContact CD2-CD2 4.06Å; Y844-L847 HydrophobicContact CE2-CD2 4.28Å; Y844-L847 WeakPolarHBondContact O-CB 3.3Å; Y844-L847 PolarHBondContact O-N 3.42Å; Y844-L847 VanDerWaalsContact O-N 3.14Å; Y844-L848 HydrophobicContact CD1-CD1 4.3Å; Y844-L848 HydrophobicContact CD1-CG 4.24Å; Y844-L848 HydrophobicContact CE1-CD1 3.71Å; Y844-L848 HydrophobicContact CE1-CD2 3.97Å; Y844-L848 HydrophobicContact CE1-CG 3.92Å; Y844-L848 HydrophobicContact CE2-CD2 4Å; Y844-L848 WeakPolarHBondContact O-CG 3.45Å; Y844-L848 PolarHBondContact O-N 3.03Å; Y844-F906 HydrophobicContact CD1-CE1 4.41Å; Y844-F906 HydrophobicContact CD2-CE1 4.05Å; Y844-F906 AromaticContact CG-CE1 3.82Å; Y844-F906 HydrophobicContact CG-CE1 3.82Å; Y844-L909 HydrophobicContact CD1-CD1 3.72Å; Y844-L909 HydrophobicContact CE1-CB 4.37Å; Y844-L909 HydrophobicContact CE1-CD1 3.85Å; Y844-L909 HydrophobicContact CE1-CD2 4.17Å; Y844-L909 HydrophobicContact CE1-CG 4.37Å
845G97.5Very high94.7Very high0 Ų06.8 Ų6.80%04%0.039CC..Hα-helixtrans-58.9-39172.900000113V841 W842 S843 L848 W849 W896V841-G845 PolarHBondContact O-N 3.04Å; V841-G845 VanDerWaalsContact O-N 3.08Å; W842-G845 WeakPolarHBondContact O-CA 2.96Å; W842-G845 PolarHBondContact O-N 2.81Å; S843-G845 PolarHBondContact O-N 3.3Å; G845-L848 PolarHBondContact O-N 3.12Å; G845-W849 PolarHBondContact O-N 2.87Å; G845-W896 VanDerWaalsContact O-CZ2 3.24Å; G845-W896 WeakPolarHBondContact O-CZ2 3.49Å
846I97.4Very high94.9Very high0 Ų07.4 Ų7.40%05%0.049CC..Hα-helixtrans-67.6-41.9174.4-54.9-69.1000110.7W824 W842 S843 Y844 L848 W849 E850 P858 Y859 M878 W896W824-I846 VanDerWaalsContact CD1-CG2 3.42Å; W824-I846 HydrophobicContact CD2-CG2 4.35Å; W824-I846 HydrophobicContact CG-CB 4.47Å; W824-I846 HydrophobicContact CG-CG2 3.93Å; W842-I846 PolarHBondContact O-N 3.38Å; S843-I846 WeakPolarHBondContact O-CB 3.34Å; S843-I846 PolarHBondContact O-N 3.33Å; S843-I846 VanDerWaalsContact O-N 3.16Å; Y844-I846 VanDerWaalsContact C-N 3.28Å; Y844-I846 PolarHBondContact O-N 3.33Å; I846-L848 VanDerWaalsContact C-N 3.33Å; I846-L848 PolarHBondContact O-N 3.42Å; I846-W849 WeakPolarHBondContact O-CA 3.49Å; I846-W849 VanDerWaalsContact O-CB 3.28Å; I846-W849 WeakPolarHBondContact O-CB 3.37Å; I846-W849 PolarHBondContact O-N 2.98Å; I846-E850 PolarHBondContact O-N 3.27Å; I846-P858 HydrophobicContact CG2-CB 3.83Å; I846-P858 HydrophobicContact CG2-CG 3.54Å; I846-Y859 HydrophobicContact CD1-CE2 4.03Å; I846-M878 HydrophobicContact CD1-CE 3.46Å; I846-M878 VanDerWaalsContact CD1-CE 3.46Å; I846-W896 HydrophobicContact CD1-CZ2 3.74Å; I846-W896 VanDerWaalsContact CD1-NE1 3.31Å; I846-W896 HydrophobicContact CG1-CZ2 4.49Å
847L97.3Very high94.9Very high0 Ų08.9 Ų8.90%06%0.058CC..Hα-helixtrans-58.2-42174.5177.6123000112.3V765 L782 A784 V787 S843 Y844 W849 E850 I851V765-L847 HydrophobicContact CB-CD2 4.23Å; V765-L847 HydrophobicContact CG1-CD2 3.76Å; V765-L847 HydrophobicContact CG2-CD2 4.34Å; L782-L847 HydrophobicContact CD1-CD1 4.29Å; L782-L847 HydrophobicContact CG-CD1 4.38Å; A784-L847 HydrophobicContact CB-CD1 4.44Å; V787-L847 HydrophobicContact CG2-CD1 3.76Å; S843-L847 PolarHBondContact O-N 2.86Å; Y844-L847 HydrophobicContact CD2-CD2 4.06Å; Y844-L847 HydrophobicContact CE2-CD2 4.28Å; Y844-L847 WeakPolarHBondContact O-CB 3.3Å; Y844-L847 PolarHBondContact O-N 3.42Å; Y844-L847 VanDerWaalsContact O-N 3.14Å; L847-W849 VanDerWaalsContact C-N 3.27Å; L847-W849 PolarHBondContact O-N 3.09Å; L847-E850 WeakPolarHBondContact O-CB 3.49Å; L847-E850 PolarHBondContact O-N 3.42Å; L847-E850 VanDerWaalsContact O-N 3.15Å; L847-I851 HydrophobicContact CD2-CD1 3.66Å; L847-I851 HydrophobicContact CG-CD1 4.11Å; L847-I851 WeakPolarHBondContact O-CG1 3.19Å; L847-I851 PolarHBondContact O-N 3.18Å
848L97.4Very high95Very high0 Ų07.4 Ų7.40%05%0.047CC..Hα-helixtrans-61.5-40.1174.5-59-167.8000111.3T762 Y844 G845 I846 E850 I851 F852 V888 M891 M892T762-L848 HydrophobicContact CG2-CD1 4.35Å; T762-L848 HydrophobicContact CG2-CD2 3.4Å; T762-L848 VanDerWaalsContact CG2-CD2 3.4Å; Y844-L848 HydrophobicContact CD1-CD1 4.3Å; Y844-L848 HydrophobicContact CD1-CG 4.24Å; Y844-L848 HydrophobicContact CE1-CD1 3.71Å; Y844-L848 HydrophobicContact CE1-CD2 3.97Å; Y844-L848 HydrophobicContact CE1-CG 3.92Å; Y844-L848 HydrophobicContact CE2-CD2 4Å; Y844-L848 WeakPolarHBondContact O-CG 3.45Å; Y844-L848 PolarHBondContact O-N 3.03Å; G845-L848 PolarHBondContact O-N 3.12Å; I846-L848 VanDerWaalsContact C-N 3.33Å; I846-L848 PolarHBondContact O-N 3.42Å; L848-E850 VanDerWaalsContact C-N 3.3Å; L848-E850 PolarHBondContact O-N 3.28Å; L848-I851 HydrophobicContact CD2-CD1 4.45Å; L848-I851 PolarHBondContact O-N 3.15Å; L848-F852 VanDerWaalsContact O-CD2 3.29Å; L848-F852 WeakPolarHBondContact O-CD2 3.47Å; L848-F852 PolarHBondContact O-N 3.47Å; L848-V888 HydrophobicContact CD1-CG1 4.44Å; L848-M891 HydrophobicContact CD1-SD 4.17Å; L848-M892 HydrophobicContact CB-CE 3.62Å; L848-M892 HydrophobicContact CB-CG 3.88Å; L848-M892 HydrophobicContact CB-SD 4.27Å; L848-M892 HydrophobicContact CD1-CG 4.17Å
849W97Very high94.9Very high16 Ų165.9 Ų5.96%0.0614%0.039CC..Hα-helixtrans-60.7-41.6175.2-166.496.1000111.3G845 I846 L847 T853 G856 T857 P860 M878 S879 P881 M892 W896G845-W849 PolarHBondContact O-N 2.87Å; I846-W849 WeakPolarHBondContact O-CA 3.49Å; I846-W849 VanDerWaalsContact O-CB 3.28Å; I846-W849 WeakPolarHBondContact O-CB 3.37Å; I846-W849 PolarHBondContact O-N 2.98Å; L847-W849 VanDerWaalsContact C-N 3.27Å; L847-W849 PolarHBondContact O-N 3.09Å; W849-T853 HydrophobicContact CD2-CG2 3.89Å; W849-T853 HydrophobicContact CE3-CG2 3.92Å; W849-T853 HydrophobicContact CH2-CG2 3.76Å; W849-T853 HydrophobicContact CZ2-CG2 3.72Å; W849-T853 HydrophobicContact CZ3-CG2 3.85Å; W849-T853 WeakPolarHBondContact O-CB 3.45Å; W849-T853 VanDerWaalsContact O-CG2 3.3Å; W849-T853 WeakPolarHBondContact O-CG2 3.22Å; W849-T853 PolarHBondContact O-N 3.35Å; W849-T853 PolarHBondContact O-OG1 3.02Å; W849-G856 WeakPolarHBondContact CZ3-O 3.38Å; W849-T857 WeakPolarHBondContact CZ3-O 3.29Å; W849-P860 HydrophobicContact CH2-CG 4.08Å; W849-P860 HydrophobicContact CZ2-CG 4.27Å; W849-M878 HydrophobicContact CB-CE 4.1Å; W849-M878 HydrophobicContact CD2-CE 4.09Å; W849-M878 HydrophobicContact CD2-SD 3.73Å; W849-M878 HydrophobicContact CE3-SD 4.18Å; W849-M878 HydrophobicContact CG-CE 3.81Å; W849-M878 HydrophobicContact CG-SD 4.04Å; W849-M878 HydrophobicContact CZ2-SD 4.14Å; W849-S879 PolarHBondContact NE1-O 3.27Å; W849-S879 VanDerWaalsContact NE1-O 3.1Å; W849-P881 VanDerWaalsContact CD1-CG 3.49Å; W849-P881 HydrophobicContact CG-CG 4.01Å; W849-M892 HydrophobicContact CB-SD 4.16Å; W849-W896 HydrophobicContact CB-CH2 4.22Å; W849-W896 HydrophobicContact CB-CZ2 4.21Å; W849-W896 AromaticContact CD1-CH2 3.98Å; W849-W896 HydrophobicContact CG-CH2 4.37Å
850E96.4Very high94.5Very high4 Ų410 Ų102%0.0197%0.065CC..Hα-helixtrans-61-46.9173.3-63.4177.7100.600111.9A784 W824 I846 L847 L848 F852 T853 L854 G855 P858A784-E850 HydrophobicContact CB-CB 3.98Å; A784-E850 HydrophobicContact CB-CG 4.49Å; A784-E850 PolarHBondContact N-OE2 2.73Å; W824-E850 VanDerWaalsContact CZ2-OE1 3.28Å; W824-E850 WeakPolarHBondContact CZ2-OE1 3.26Å; W824-E850 VanDerWaalsContact NE1-CD 3.27Å; W824-E850 PolarHBondContact NE1-OE2 3.43Å; I846-E850 PolarHBondContact O-N 3.27Å; L847-E850 WeakPolarHBondContact O-CB 3.49Å; L847-E850 PolarHBondContact O-N 3.42Å; L847-E850 VanDerWaalsContact O-N 3.15Å; L848-E850 VanDerWaalsContact C-N 3.3Å; L848-E850 PolarHBondContact O-N 3.28Å; E850-F852 PolarHBondContact O-N 2.87Å; E850-T853 PolarHBondContact O-N 3.01Å; E850-T853 PolarHBondContact O-OG1 3.11Å; E850-L854 PolarHBondContact O-N 3.31Å; E850-G855 PolarHBondContact O-N 3.22Å; E850-P858 HydrophobicContact CG-CG 3.88Å
851I96.1Very high94Very high0 Ų014.1 Ų14.10%011%0.108CC..Hα-helixtrans-59.5-50.3-179.6-69.2170.8000110.8L647 L651 L758 F761 L847 L848 T853 L854L647-I851 HydrophobicContact CD2-CD1 4.16Å; L647-I851 HydrophobicContact CD2-CG1 4.04Å; L651-I851 HydrophobicContact CD1-CG1 4.42Å; L758-I851 HydrophobicContact CB-CG2 3.94Å; L758-I851 HydrophobicContact CD2-CG2 3.88Å; L758-I851 HydrophobicContact CG-CG2 4.39Å; F761-I851 HydrophobicContact CB-CD1 4.45Å; L847-I851 HydrophobicContact CD2-CD1 3.66Å; L847-I851 HydrophobicContact CG-CD1 4.11Å; L847-I851 WeakPolarHBondContact O-CG1 3.19Å; L847-I851 PolarHBondContact O-N 3.18Å; L848-I851 HydrophobicContact CD2-CD1 4.45Å; L848-I851 PolarHBondContact O-N 3.15Å; I851-T853 VanDerWaalsContact C-N 3.31Å; I851-T853 PolarHBondContact O-N 2.98Å; I851-L854 PolarHBondContact O-N 3.44Å; I851-L854 VanDerWaalsContact O-N 3.12Å
852F95.4Very high93.3Very high0 Ų015.4 Ų15.40%012%0.115CC..Hα-helixtrans-84.1-1.6-175-72.5-82.3000114.6L758 L759 T762 L848 E850 P881 H883 A884 V888 M892L758-F852 HydrophobicContact CB-CD1 4.3Å; L758-F852 HydrophobicContact CB-CE1 3.8Å; L758-F852 HydrophobicContact CB-CZ 4.02Å; L758-F852 HydrophobicContact CD1-CD1 3.87Å; L758-F852 HydrophobicContact CD1-CE1 4.11Å; L759-F852 HydrophobicContact CD2-CZ 4.01Å; L759-F852 HydrophobicContact CG-CZ 4.38Å; T762-F852 WeakPolarHBondContact OG1-CE2 3.31Å; L848-F852 VanDerWaalsContact O-CD2 3.29Å; L848-F852 WeakPolarHBondContact O-CD2 3.47Å; L848-F852 PolarHBondContact O-N 3.47Å; E850-F852 PolarHBondContact O-N 2.87Å; F852-P881 HydrophobicContact CB-CB 3.82Å; F852-P881 HydrophobicContact CB-CG 4.13Å; F852-P881 WeakPolarHBondContact O-CB 3.44Å; F852-H883 WeakPolarHBondContact CD1-O 3.18Å; F852-H883 PolarHBondContact O-N 3.37Å; F852-A884 HydrophobicContact CB-CB 3.83Å; F852-A884 HydrophobicContact CD1-CB 4.18Å; F852-A884 HydrophobicContact CG-CB 4.02Å; F852-V888 HydrophobicContact CD2-CG1 3.77Å; F852-V888 HydrophobicContact CE2-CG1 3.46Å; F852-V888 VanDerWaalsContact CE2-CG1 3.46Å; F852-V888 HydrophobicContact CE2-CG2 4.47Å; F852-V888 HydrophobicContact CG-CG1 4.48Å; F852-V888 HydrophobicContact CZ-CG1 3.9Å; F852-V888 HydrophobicContact CZ-CG2 4.12Å; F852-M892 HydrophobicContact CB-CE 4.27Å; F852-M892 HydrophobicContact CD2-CE 3.94Å; F852-M892 HydrophobicContact CG-CE 4.39Å
853T93.7Very high92.7Very high23 Ų2320.4 Ų20.414%0.14115%0.145CC..THydrogen-bonded Turntrans-101.17.6163.754.70000112.6W849 E850 I851 G855 G856 P881W849-T853 HydrophobicContact CD2-CG2 3.89Å; W849-T853 HydrophobicContact CE3-CG2 3.92Å; W849-T853 HydrophobicContact CH2-CG2 3.76Å; W849-T853 HydrophobicContact CZ2-CG2 3.72Å; W849-T853 HydrophobicContact CZ3-CG2 3.85Å; W849-T853 WeakPolarHBondContact O-CB 3.45Å; W849-T853 VanDerWaalsContact O-CG2 3.3Å; W849-T853 WeakPolarHBondContact O-CG2 3.22Å; W849-T853 PolarHBondContact O-N 3.35Å; W849-T853 PolarHBondContact O-OG1 3.02Å; E850-T853 PolarHBondContact O-N 3.01Å; E850-T853 PolarHBondContact O-OG1 3.11Å; I851-T853 VanDerWaalsContact C-N 3.31Å; I851-T853 PolarHBondContact O-N 2.98Å; T853-G855 PolarHBondContact O-N 3Å; T853-G856 WeakPolarHBondContact OG1-CA 3.34Å; T853-G856 PolarHBondContact OG1-N 3.39Å; T853-P881 HydrophobicContact CG2-CB 3.68Å; T853-P881 HydrophobicContact CG2-CG 4.1Å
854L92Very high92Very high2 Ų221.7 Ų21.71%0.0115%0.153CC..THydrogen-bonded Turntrans56.747.4-178.2-53.9175.7000112.1L651 H652 R655 F658 L753 L758 E850 I851L651-L854 HydrophobicContact CD2-CD2 4.36Å; H652-L854 PolarHBondContact CD2-O 3.28Å; R655-L854 HydrophobicContact CB-CB 4.43Å; R655-L854 HydrophobicContact CG-CB 4.01Å; R655-L854 HydrophobicContact CG-CD1 3.95Å; F658-L854 HydrophobicContact CB-CD1 3.88Å; F658-L854 HydrophobicContact CD1-CD1 4.19Å; F658-L854 HydrophobicContact CD2-CD1 4.27Å; F658-L854 HydrophobicContact CD2-CD2 4Å; F658-L854 HydrophobicContact CE2-CD2 4.26Å; F658-L854 HydrophobicContact CG-CD1 3.85Å; F658-L854 HydrophobicContact CG-CD2 4.43Å; L753-L854 HydrophobicContact CD2-CD2 3.87Å; L758-L854 HydrophobicContact CD1-CD2 4.02Å; L758-L854 HydrophobicContact CD2-CD2 4.04Å; E850-L854 PolarHBondContact O-N 3.31Å; I851-L854 PolarHBondContact O-N 3.44Å; I851-L854 VanDerWaalsContact O-N 3.12Å
855G89.9Confident91.4Very high4 Ų424.7 Ų24.74%0.04117%0.169CC..SBendtrans8922.117900000114.4H652 E850 T853H652-G855 PolarHBondContact NE2-O 3.4Å; E850-G855 PolarHBondContact O-N 3.22Å; T853-G855 PolarHBondContact O-N 3Å
856G88Confident90.8Very high22 Ų2229 Ų2923%0.22720%0.199CC..PPolyproline II helixtrans-63.1144.3176.600000112.5W849 T853 P858W849-G856 WeakPolarHBondContact CZ3-O 3.38Å; T853-G856 WeakPolarHBondContact OG1-CA 3.34Å; T853-G856 PolarHBondContact OG1-N 3.39Å; G856-P858 WeakPolarHBondContact O-CD 3.22Å
857T89.6Confident90.3Very high39 Ų3931.5 Ų31.524%0.23922%0.216CC..PPolyproline II helixtrans-72.3126.1173.6-50.90000110.6W849W849-T857 WeakPolarHBondContact CZ3-O 3.29Å
858P92.9Very high89.9Confident0 Ų031.6 Ų31.60%022%0.217CC..SBendtrans-57145.5179.1-28.136.5000113K823 W824 I846 E850 G856 M878K823-P858 HydrophobicContact CB-CB 4.4Å; K823-P858 WeakPolarHBondContact CD-O 3.41Å; K823-P858 PolarHBondContact NZ-O 3.28Å; W824-P858 HydrophobicContact CH2-CG 4.1Å; W824-P858 HydrophobicContact CZ2-CG 3.54Å; I846-P858 HydrophobicContact CG2-CB 3.83Å; I846-P858 HydrophobicContact CG2-CG 3.54Å; E850-P858 HydrophobicContact CG-CG 3.88Å; G856-P858 WeakPolarHBondContact O-CD 3.22Å; P858-M878 HydrophobicContact CB-CE 4.29Å; P858-M878 HydrophobicContact CB-SD 4.1Å
859Y91.9Very high89.4Confident2 Ų234 Ų341%0.00823%0.226CC..SBendtrans51.965-175.5-54.8-84.4000111.2K823 I846 G861 M862 F868 I872 Y876 M878K823-Y859 HydrophobicContact CB-CD2 4.18Å; K823-Y859 HydrophobicContact CG-CD2 4.26Å; K823-Y859 WeakPolarHBondContact O-CE2 3.29Å; I846-Y859 HydrophobicContact CD1-CE2 4.03Å; Y859-G861 PolarHBondContact O-N 2.95Å; Y859-M862 PolarHBondContact O-N 3.07Å; Y859-M862 VanDerWaalsContact O-N 3.08Å; Y859-F868 HydrophobicContact CD1-CE2 4.15Å; Y859-F868 AromaticContact CD2-CE2 3.8Å; Y859-F868 HydrophobicContact CD2-CE2 3.8Å; Y859-F868 AromaticContact CD2-CZ 3.93Å; Y859-F868 HydrophobicContact CD2-CZ 3.93Å; Y859-F868 HydrophobicContact CE2-CE2 4.3Å; Y859-F868 HydrophobicContact CE2-CZ 4.04Å; Y859-F868 AromaticContact CG-CE2 3.71Å; Y859-F868 HydrophobicContact CG-CE2 3.71Å; Y859-F868 HydrophobicContact CG-CZ 4.29Å; Y859-I872 HydrophobicContact CE1-CD1 3.67Å; Y859-I872 HydrophobicContact CE2-CD1 4.48Å; Y859-I872 WeakPolarHBondContact OH-CD1 3.31Å; Y859-Y876 HydrophobicContact CD1-CD1 4.3Å; Y859-Y876 AromaticContact CD1-CE1 3.91Å; Y859-Y876 HydrophobicContact CD1-CE1 3.91Å; Y859-Y876 HydrophobicContact CE1-CD1 4.14Å; Y859-Y876 HydrophobicContact CE1-CE1 4.11Å; Y859-M878 HydrophobicContact CD1-CG 3.54Å; Y859-M878 HydrophobicContact CD1-SD 4.05Å; Y859-M878 HydrophobicContact CD2-CE 4.43Å; Y859-M878 HydrophobicContact CD2-SD 4.08Å; Y859-M878 HydrophobicContact CE1-CE 4.42Å; Y859-M878 HydrophobicContact CE1-CG 3.59Å; Y859-M878 HydrophobicContact CE1-SD 4.22Å; Y859-M878 HydrophobicContact CE2-CE 4.05Å; Y859-M878 HydrophobicContact CE2-SD 4.25Å; Y859-M878 HydrophobicContact CG-CG 4.08Å; Y859-M878 HydrophobicContact CG-SD 3.97Å; Y859-M878 PolarHBondContact N-SD 3.42Å
860P87Confident89Confident87 Ų8738.4 Ų38.457%0.56525%0.251SS*.THydrogen-bonded Turntrans-59.4133.6-172.924.4-34000111W849 M862W849-P860 HydrophobicContact CH2-CG 4.08Å; W849-P860 HydrophobicContact CZ2-CG 4.27Å; P860-M862 PolarHBondContact O-N 3.1Å
861G83.2Confident88.6Confident88 Ų8842.2 Ų42.291%0.90727%0.268SS*.THydrogen-bonded Turntrans73.23.2-178.200000115.6Y859Y859-G861 PolarHBondContact O-N 2.95Å
862M84.4Confident88.3Confident28 Ų2842.5 Ų42.514%0.13827%0.269CS..  trans-103.7119.8175.5-68.9-178.143.900111.4K823 Y859 P860 F868 K871 Y876K823-M862 WeakPolarHBondContact CE-O 2.95Å; K823-M862 PolarHBondContact NZ-O 2.95Å; Y859-M862 PolarHBondContact O-N 3.07Å; Y859-M862 VanDerWaalsContact O-N 3.08Å; P860-M862 PolarHBondContact O-N 3.1Å; M862-F868 HydrophobicContact CB-CD2 4.44Å; M862-F868 HydrophobicContact CE-CD2 3.69Å; M862-F868 HydrophobicContact CE-CE2 4.24Å; M862-K871 HydrophobicContact CE-CB 4.48Å; M862-K871 HydrophobicContact CE-CD 3.46Å; M862-K871 VanDerWaalsContact CE-CD 3.46Å; M862-K871 HydrophobicContact SD-CD 4.26Å; M862-Y876 HydrophobicContact SD-CE1 4.04Å
863V83.9Confident87.9Confident106 Ų10649.8 Ų49.864%0.64230%0.3SS*.  trans-78.8148.3169.6-660000110.5D865V863-D865 PolarHBondContact O-N 2.89Å; V863-D865 VanDerWaalsContact O-N 3.1Å
864V83.6Confident87.6Confident34 Ų3453.2 Ų53.221%0.20633%0.325CS..SBendtrans-8487.4-179.7-174.50000109.8V813 V822 K823 F868 Y869V813-V864 HydrophobicContact CG2-CB 3.74Å; V813-V864 HydrophobicContact CG2-CG1 3.75Å; V813-V864 HydrophobicContact CG2-CG2 4.13Å; V822-V864 HydrophobicContact CB-CG1 3.96Å; V822-V864 HydrophobicContact CG1-CG1 3.59Å; V822-V864 HydrophobicContact CG2-CG1 4.44Å; K823-V864 HydrophobicContact CD-CG2 4.4Å; K823-V864 HydrophobicContact CG-CG2 3.84Å; V864-F868 HydrophobicContact CG1-CD1 3.98Å; V864-F868 HydrophobicContact CG1-CE1 4.48Å; V864-F868 HydrophobicContact CG1-CG 4.38Å; V864-Y869 HydrophobicContact CG1-CE2 4.24Å
865D84.6Confident87.5Confident63 Ų6354.8 Ų54.834%0.33734%0.343SS..SBendtrans-124.7-172.2177.267.84.4000111.5V863 S867 F868 Y869V863-D865 PolarHBondContact O-N 2.89Å; V863-D865 VanDerWaalsContact O-N 3.1Å; D865-S867 PolarHBondContact O-N 2.93Å; D865-S867 WeakPolarHBondContact OD1-CA 3.37Å; D865-S867 WeakPolarHBondContact OD1-CB 3.41Å; D865-S867 PolarHBondContact OD1-N 2.59Å; D865-S867 PolarHBondContact OD1-OG 3.46Å; D865-S867 PolarHBondContact OD2-OG 2.77Å; D865-F868 WeakPolarHBondContact O-CB 3.41Å; D865-F868 PolarHBondContact O-N 3.42Å; D865-F868 PolarHBondContact OD1-N 3.43Å; D865-Y869 WeakPolarHBondContact O-CD2 3.47Å; D865-Y869 PolarHBondContact O-N 2.91Å
866S84.4Confident87.6Confident90 Ų9059.2 Ų59.263%0.62936%0.359SS*.Hα-helixtrans-56.7-30.4175.856.40000113.1N870S866-N870 VanDerWaalsContact O-CG 3.26Å; S866-N870 PolarHBondContact O-N 3.26Å; S866-N870 VanDerWaalsContact O-N 3.15Å; S866-N870 PolarHBondContact O-ND2 2.89Å
867S87.6Confident87.9Confident53 Ų5359.6 Ų59.637%0.37135%0.353SS..Hα-helixtrans-70-37.9176.688.60000111.8D865 N870 K871D865-S867 PolarHBondContact O-N 2.93Å; D865-S867 WeakPolarHBondContact OD1-CA 3.37Å; D865-S867 WeakPolarHBondContact OD1-CB 3.41Å; D865-S867 PolarHBondContact OD1-N 2.59Å; D865-S867 PolarHBondContact OD1-OG 3.46Å; D865-S867 PolarHBondContact OD2-OG 2.77Å; S867-N870 PolarHBondContact O-N 3.01Å; S867-K871 WeakPolarHBondContact O-CG 3.37Å; S867-K871 PolarHBondContact O-N 3.48Å
868F87.8Confident88.1Confident2 Ų257.9 Ų57.91%0.00934%0.343CS..Hα-helixtrans-59.8-51.9174.1-178.7-88.7000111.2V822 K823 Y859 M862 V864 D865 N870 K871 I872V822-F868 HydrophobicContact CG1-CD1 4.38Å; V822-F868 HydrophobicContact CG1-CE1 3.95Å; K823-F868 HydrophobicContact CG-CE2 4.37Å; K823-F868 HydrophobicContact CG-CZ 4.17Å; Y859-F868 HydrophobicContact CD1-CE2 4.15Å; Y859-F868 AromaticContact CD2-CE2 3.8Å; Y859-F868 HydrophobicContact CD2-CE2 3.8Å; Y859-F868 AromaticContact CD2-CZ 3.93Å; Y859-F868 HydrophobicContact CD2-CZ 3.93Å; Y859-F868 HydrophobicContact CE2-CE2 4.3Å; Y859-F868 HydrophobicContact CE2-CZ 4.04Å; Y859-F868 AromaticContact CG-CE2 3.71Å; Y859-F868 HydrophobicContact CG-CE2 3.71Å; Y859-F868 HydrophobicContact CG-CZ 4.29Å; M862-F868 HydrophobicContact CB-CD2 4.44Å; M862-F868 HydrophobicContact CE-CD2 3.69Å; M862-F868 HydrophobicContact CE-CE2 4.24Å; V864-F868 HydrophobicContact CG1-CD1 3.98Å; V864-F868 HydrophobicContact CG1-CE1 4.48Å; V864-F868 HydrophobicContact CG1-CG 4.38Å; D865-F868 WeakPolarHBondContact O-CB 3.41Å; D865-F868 PolarHBondContact O-N 3.42Å; D865-F868 PolarHBondContact OD1-N 3.43Å; F868-N870 VanDerWaalsContact C-N 3.29Å; F868-N870 PolarHBondContact O-N 2.95Å; F868-K871 PolarHBondContact O-N 3.18Å; F868-K871 VanDerWaalsContact O-N 3.14Å; F868-I872 HydrophobicContact CD1-CG1 4.1Å; F868-I872 HydrophobicContact CE1-CD1 4.35Å; F868-I872 HydrophobicContact CE1-CG1 3.66Å; F868-I872 HydrophobicContact CE2-CD1 4.49Å; F868-I872 HydrophobicContact CE2-CG1 4.47Å; F868-I872 HydrophobicContact CZ-CD1 4.04Å; F868-I872 HydrophobicContact CZ-CG1 3.86Å; F868-I872 WeakPolarHBondContact O-CG1 3.39Å; F868-I872 PolarHBondContact O-N 2.66Å
869Y87.3Confident88.1Confident51 Ų5162 Ų6220%0.237%0.372CS..Hα-helixtrans-58.2-42178.7-66.4-68.1000112.1V822 I830 F831 V864 D865 I872 K873V822-Y869 HydrophobicContact CG1-CE1 3.75Å; I830-Y869 HydrophobicContact CG2-CD1 3.63Å; I830-Y869 HydrophobicContact CG2-CE1 3.48Å; I830-Y869 VanDerWaalsContact CG2-CE1 3.48Å; F831-Y869 HydrophobicContact CE1-CD1 4.01Å; F831-Y869 HydrophobicContact CE1-CG 4.42Å; F831-Y869 HydrophobicContact CZ-CD1 4.17Å; V864-Y869 HydrophobicContact CG1-CE2 4.24Å; D865-Y869 WeakPolarHBondContact O-CD2 3.47Å; D865-Y869 PolarHBondContact O-N 2.91Å; Y869-I872 PolarHBondContact O-N 3.43Å; Y869-K873 VanDerWaalsContact O-CB 3.31Å; Y869-K873 WeakPolarHBondContact O-CB 3.32Å; Y869-K873 PolarHBondContact O-N 2.73Å
870N88.2Confident88.2Confident108 Ų10866.1 Ų66.158%0.57839%0.389SS*.Hα-helixtrans-64.9-40.5177.5-73.4-25.5000112.3S866 S867 F868 K873 S874S866-N870 VanDerWaalsContact O-CG 3.26Å; S866-N870 PolarHBondContact O-N 3.26Å; S866-N870 VanDerWaalsContact O-N 3.15Å; S866-N870 PolarHBondContact O-ND2 2.89Å; S867-N870 PolarHBondContact O-N 3.01Å; F868-N870 VanDerWaalsContact C-N 3.29Å; F868-N870 PolarHBondContact O-N 2.95Å; N870-K873 PolarHBondContact O-N 3.47Å; N870-S874 WeakPolarHBondContact O-CB 3.49Å; N870-S874 PolarHBondContact O-N 3.15Å; N870-S874 PolarHBondContact O-OG 3.28Å
871K89.9Confident88.5Confident85 Ų8562.2 Ų62.237%0.3736%0.364SS..Hα-helixtrans-64.4-45.1176.6-77.5177.1176-1760112.2M862 S867 F868 K873 S874 G875 Y876M862-K871 HydrophobicContact CE-CB 4.48Å; M862-K871 HydrophobicContact CE-CD 3.46Å; M862-K871 VanDerWaalsContact CE-CD 3.46Å; M862-K871 HydrophobicContact SD-CD 4.26Å; S867-K871 WeakPolarHBondContact O-CG 3.37Å; S867-K871 PolarHBondContact O-N 3.48Å; F868-K871 PolarHBondContact O-N 3.18Å; F868-K871 VanDerWaalsContact O-N 3.14Å; K871-K873 VanDerWaalsContact C-N 3.32Å; K871-K873 PolarHBondContact O-N 3.4Å; K871-S874 WeakPolarHBondContact CA-OG 3.43Å; K871-S874 PolarHBondContact O-N 3.02Å; K871-S874 PolarHBondContact O-OG 3.09Å; K871-G875 PolarHBondContact O-N 2.96Å; K871-Y876 HydrophobicContact CB-CG 4.37Å; K871-Y876 WeakPolarHBondContact O-CB 3.47Å; K871-Y876 PolarHBondContact O-N 3.42Å
872I89.8Confident88.7Confident5 Ų566 Ų663%0.02636%0.358CS..Hα-helixtrans-61.6-44.6177-63.7-57.5000110.4P827 W842 Y859 F868 Y869 S874 G875 R877P827-I872 HydrophobicContact CG-CG2 4.09Å; W842-I872 HydrophobicContact CZ2-CG2 4.49Å; Y859-I872 HydrophobicContact CE1-CD1 3.67Å; Y859-I872 HydrophobicContact CE2-CD1 4.48Å; Y859-I872 WeakPolarHBondContact OH-CD1 3.31Å; F868-I872 HydrophobicContact CD1-CG1 4.1Å; F868-I872 HydrophobicContact CE1-CD1 4.35Å; F868-I872 HydrophobicContact CE1-CG1 3.66Å; F868-I872 HydrophobicContact CE2-CD1 4.49Å; F868-I872 HydrophobicContact CE2-CG1 4.47Å; F868-I872 HydrophobicContact CZ-CD1 4.04Å; F868-I872 HydrophobicContact CZ-CG1 3.86Å; F868-I872 WeakPolarHBondContact O-CG1 3.39Å; F868-I872 PolarHBondContact O-N 2.66Å; Y869-I872 PolarHBondContact O-N 3.43Å; I872-S874 VanDerWaalsContact C-N 3.33Å; I872-S874 PolarHBondContact O-N 3.22Å; I872-G875 PolarHBondContact O-N 2.9Å; I872-G875 VanDerWaalsContact O-N 3.11Å; I872-R877 PolarHBondContact O-NH1 2.91Å
873K86.3Confident89Confident153 Ų15366.7 Ų66.767%0.66536%0.361SS*.Hα-helixtrans-65.1-33.5177.4-168.8170.8-175.8172.10112.9F831 Y869 N870 K871 G875F831-K873 HydrophobicContact CE2-CB 4.33Å; F831-K873 HydrophobicContact CZ-CB 4.29Å; Y869-K873 VanDerWaalsContact O-CB 3.31Å; Y869-K873 WeakPolarHBondContact O-CB 3.32Å; Y869-K873 PolarHBondContact O-N 2.73Å; N870-K873 PolarHBondContact O-N 3.47Å; K871-K873 VanDerWaalsContact C-N 3.32Å; K871-K873 PolarHBondContact O-N 3.4Å; K873-G875 PolarHBondContact O-N 3.31Å
874S87.9Confident89.4Confident95 Ų9561.9 Ų61.966%0.66433%0.332SS*.THydrogen-bonded Turntrans-79.14.1175.173.90000113.7N870 K871 I872N870-S874 WeakPolarHBondContact O-CB 3.49Å; N870-S874 PolarHBondContact O-N 3.15Å; N870-S874 PolarHBondContact O-OG 3.28Å; K871-S874 WeakPolarHBondContact CA-OG 3.43Å; K871-S874 PolarHBondContact O-N 3.02Å; K871-S874 PolarHBondContact O-OG 3.09Å; I872-S874 VanDerWaalsContact C-N 3.33Å; I872-S874 PolarHBondContact O-N 3.22Å
875G88.4Confident89.7Confident36 Ų3662.3 Ų62.337%0.37134%0.336SS..THydrogen-bonded Turntrans88.613.2176.400000115.2K871 I872 K873 R877K871-G875 PolarHBondContact O-N 2.96Å; I872-G875 PolarHBondContact O-N 2.9Å; I872-G875 VanDerWaalsContact O-N 3.11Å; K873-G875 PolarHBondContact O-N 3.31Å; G875-R877 VanDerWaalsContact C-NH1 3.33Å; G875-R877 PolarHBondContact O-N 3.03Å
876Y92.4Very high90.1Very high97 Ų9763.8 Ų63.838%0.3834%0.341SS..  trans-62135.2175179.6-94.9000111.2Y859 M862 K871Y859-Y876 HydrophobicContact CD1-CD1 4.3Å; Y859-Y876 AromaticContact CD1-CE1 3.91Å; Y859-Y876 HydrophobicContact CD1-CE1 3.91Å; Y859-Y876 HydrophobicContact CE1-CD1 4.14Å; Y859-Y876 HydrophobicContact CE1-CE1 4.11Å; M862-Y876 HydrophobicContact SD-CE1 4.04Å; K871-Y876 HydrophobicContact CB-CG 4.37Å; K871-Y876 WeakPolarHBondContact O-CB 3.47Å; K871-Y876 PolarHBondContact O-N 3.42Å
877R93.9Very high90.5Very high30 Ų3063.7 Ų63.711%0.11333%0.333CS..  trans-133.4153.4175.3-58.8-60.3178.7-95.7-1.2109.7I872 G875 M893 W896 T898I872-R877 PolarHBondContact O-NH1 2.91Å; G875-R877 VanDerWaalsContact C-NH1 3.33Å; G875-R877 PolarHBondContact O-N 3.03Å; R877-M893 HydrophobicContact CB-CE 4.23Å; R877-M893 HydrophobicContact CB-SD 4Å; R877-M893 HydrophobicContact CG-CE 4.15Å; R877-M893 HydrophobicContact CG-SD 4.34Å; R877-W896 HydrophobicContact CB-CE3 4.02Å; R877-W896 HydrophobicContact CB-CZ3 4.42Å; R877-W896 HydrophobicContact CG-CB 4.43Å; R877-W896 HydrophobicContact CG-CE3 4.31Å; R877-W896 PolarHBondContact NE-O 2.91Å; R877-W896 PolarHBondContact NH2-O 2.87Å; R877-T898 PolarHBondContact NH2-OG1 3.36Å
878M94.7Very high90.8Very high3 Ų361.2 Ų61.22%0.01532%0.316CS..PPolyproline II helixtrans-68.1151.3180-67.3177.9-75.600111.1I846 W849 P858 Y859 Y889 W896I846-M878 HydrophobicContact CD1-CE 3.46Å; I846-M878 VanDerWaalsContact CD1-CE 3.46Å; W849-M878 HydrophobicContact CB-CE 4.1Å; W849-M878 HydrophobicContact CD2-CE 4.09Å; W849-M878 HydrophobicContact CD2-SD 3.73Å; W849-M878 HydrophobicContact CE3-SD 4.18Å; W849-M878 HydrophobicContact CG-CE 3.81Å; W849-M878 HydrophobicContact CG-SD 4.04Å; W849-M878 HydrophobicContact CZ2-SD 4.14Å; P858-M878 HydrophobicContact CB-CE 4.29Å; P858-M878 HydrophobicContact CB-SD 4.1Å; Y859-M878 HydrophobicContact CD1-CG 3.54Å; Y859-M878 HydrophobicContact CD1-SD 4.05Å; Y859-M878 HydrophobicContact CD2-CE 4.43Å; Y859-M878 HydrophobicContact CD2-SD 4.08Å; Y859-M878 HydrophobicContact CE1-CE 4.42Å; Y859-M878 HydrophobicContact CE1-CG 3.59Å; Y859-M878 HydrophobicContact CE1-SD 4.22Å; Y859-M878 HydrophobicContact CE2-CE 4.05Å; Y859-M878 HydrophobicContact CE2-SD 4.25Å; Y859-M878 HydrophobicContact CG-CG 4.08Å; Y859-M878 HydrophobicContact CG-SD 3.97Å; Y859-M878 PolarHBondContact N-SD 3.42Å; M878-Y889 PolarHBondContact O-OH 2.84Å; M878-Y889 VanDerWaalsContact O-OH 3.05Å; M878-W896 HydrophobicContact CB-CH2 4.26Å; M878-W896 HydrophobicContact CB-CZ3 4.41Å; M878-W896 HydrophobicContact CE-CH2 3.67Å; M878-W896 HydrophobicContact CE-CZ2 3.58Å
879S93.1Very high91.2Very high87 Ų8763.3 Ų63.361%0.60832%0.324SS*.PPolyproline II helixtrans-68.8160.1172.753.80000111.8W849W849-S879 PolarHBondContact NE1-O 3.27Å; W849-S879 VanDerWaalsContact NE1-O 3.1Å
880K94.4Very high91.6Very high87 Ų8765.2 Ų65.238%0.37834%0.335SS..PPolyproline II helixtrans-53.8127.6175.6175.5170.6136.4154.50111.3A884 Y889K880-A884 WeakPolarHBondContact CE-O 3.49Å; K880-A884 HydrophobicContact CG-CB 4.36Å; K880-A884 PolarHBondContact NZ-O 3.36Å; K880-Y889 VanDerWaalsContact CA-CD2 3.46Å; K880-Y889 HydrophobicContact CB-CD1 3.8Å; K880-Y889 HydrophobicContact CB-CD2 3.73Å; K880-Y889 HydrophobicContact CB-CE1 3.92Å; K880-Y889 HydrophobicContact CB-CE2 3.85Å; K880-Y889 HydrophobicContact CB-CG 3.68Å; K880-Y889 HydrophobicContact CD-CD1 4.25Å; K880-Y889 HydrophobicContact CD-CG 4.16Å; K880-Y889 HydrophobicContact CG-CD1 4.23Å; K880-Y889 HydrophobicContact CG-CD2 4.13Å; K880-Y889 HydrophobicContact CG-CG 3.84Å; K880-Y889 VanDerWaalsContact N-CE2 3.3Å
881P93.3Very high92Very high5 Ų560.5 Ų60.53%0.03231%0.309CS..PPolyproline II helixtrans-59.3149.1170.6-25.334.4000112.8W849 F852 T853 H883 A884 M892W849-P881 VanDerWaalsContact CD1-CG 3.49Å; W849-P881 HydrophobicContact CG-CG 4.01Å; F852-P881 HydrophobicContact CB-CB 3.82Å; F852-P881 HydrophobicContact CB-CG 4.13Å; F852-P881 WeakPolarHBondContact O-CB 3.44Å; T853-P881 HydrophobicContact CG2-CB 3.68Å; T853-P881 HydrophobicContact CG2-CG 4.1Å; P881-H883 VanDerWaalsContact C-N 3.31Å; P881-H883 PolarHBondContact O-N 3.31Å; P881-A884 HydrophobicContact CB-CB 3.84Å; P881-A884 HydrophobicContact CG-CB 4.04Å; P881-A884 PolarHBondContact O-N 2.88Å; P881-M892 HydrophobicContact CG-CE 3.91Å; P881-M892 HydrophobicContact CG-SD 4.12Å
882E87.8Confident92.3Very high169 Ų16956.4 Ų56.479%0.7929%0.292SS*.THydrogen-bonded Turntrans-56.2-42.9-178.4-174.1174.5172.500112.7
883H89.4Confident92.7Very high41 Ų4159.7 Ų59.719%0.1931%0.308CS..THydrogen-bonded Turntrans-96.26.1-175.5-47.4-61000113.6F658 F852 P881 P885F658-H883 AromaticContact CD1-ND1 3.93Å; F658-H883 HydrophobicContact CE1-CB 3.99Å; F658-H883 AromaticContact CE1-CG 3.69Å; F658-H883 AromaticContact CE1-ND1 3.49Å; F658-H883 WeakPolarHBondContact CE1-ND1 3.39Å; F658-H883 HydrophobicContact CZ-CB 4.05Å; F852-H883 WeakPolarHBondContact CD1-O 3.18Å; F852-H883 PolarHBondContact O-N 3.37Å; P881-H883 VanDerWaalsContact C-N 3.31Å; P881-H883 PolarHBondContact O-N 3.31Å; H883-P885 WeakPolarHBondContact O-CD 3.45Å
884A91.9Very high93.1Very high5 Ų557.8 Ų57.84%0.04130%0.299CS..  trans-83.4125-178.400000112.5F852 K880 P881 M892F852-A884 HydrophobicContact CB-CB 3.83Å; F852-A884 HydrophobicContact CD1-CB 4.18Å; F852-A884 HydrophobicContact CG-CB 4.02Å; K880-A884 WeakPolarHBondContact CE-O 3.49Å; K880-A884 HydrophobicContact CG-CB 4.36Å; K880-A884 PolarHBondContact NZ-O 3.36Å; P881-A884 HydrophobicContact CB-CB 3.84Å; P881-A884 HydrophobicContact CG-CB 4.04Å; P881-A884 PolarHBondContact O-N 2.88Å; A884-M892 HydrophobicContact CB-CE 4.24Å
885P91.6Very high93.6Very high44 Ų4453.2 Ų53.229%0.28627%0.268SS..  trans-55.7153.5163.6-22.232.5000111.4H883 D887 V888 Y889H883-P885 WeakPolarHBondContact O-CD 3.45Å; P885-D887 VanDerWaalsContact C-N 3.3Å; P885-D887 PolarHBondContact O-N 2.88Å; P885-V888 HydrophobicContact CB-CB 4.46Å; P885-V888 HydrophobicContact CB-CG2 4.05Å; P885-V888 HydrophobicContact CG-CG2 3.96Å; P885-V888 PolarHBondContact O-N 2.64Å; P885-Y889 PolarHBondContact O-N 3.35Å; P885-Y889 VanDerWaalsContact O-N 3.13Å
886Q92.4Very high94Very high93 Ų9351.7 Ų51.744%0.43525%0.251SS..Hα-helixtrans-60-42.8-178.5-174.258.127.800111.8V888 Y889 E890Q886-V888 VanDerWaalsContact C-N 3.27Å; Q886-V888 PolarHBondContact O-N 3.2Å; Q886-Y889 PolarHBondContact O-N 3.11Å; Q886-Y889 VanDerWaalsContact O-N 3.11Å; Q886-E890 PolarHBondContact O-N 2.93Å
887D92.6Very high94.2Very high89 Ų8949.5 Ų49.548%0.47625%0.245SC..Hα-helixtrans-60.8-36.9179.1-54.3-48000112.4P885 E890 M891 L916P885-D887 VanDerWaalsContact C-N 3.3Å; P885-D887 PolarHBondContact O-N 2.88Å; D887-E890 PolarHBondContact O-N 3.28Å; D887-M891 PolarHBondContact O-N 3.11Å; D887-L916 HydrophobicContact CB-CD1 4.04Å; D887-L916 HydrophobicContact CB-CD2 3.82Å
888V94.3Very high94.1Very high1 Ų152 Ų521%0.00626%0.264CS..Hα-helixtrans-67.8-42.1176.1176.90000110.7L759 L848 F852 P885 Q886 E890 M891 M892 L916L759-V888 HydrophobicContact CD2-CG2 3.84Å; L848-V888 HydrophobicContact CD1-CG1 4.44Å; F852-V888 HydrophobicContact CD2-CG1 3.77Å; F852-V888 HydrophobicContact CE2-CG1 3.46Å; F852-V888 VanDerWaalsContact CE2-CG1 3.46Å; F852-V888 HydrophobicContact CE2-CG2 4.47Å; F852-V888 HydrophobicContact CG-CG1 4.48Å; F852-V888 HydrophobicContact CZ-CG1 3.9Å; F852-V888 HydrophobicContact CZ-CG2 4.12Å; P885-V888 HydrophobicContact CB-CB 4.46Å; P885-V888 HydrophobicContact CB-CG2 4.05Å; P885-V888 HydrophobicContact CG-CG2 3.96Å; P885-V888 PolarHBondContact O-N 2.64Å; Q886-V888 VanDerWaalsContact C-N 3.27Å; Q886-V888 PolarHBondContact O-N 3.2Å; V888-E890 PolarHBondContact O-N 3.35Å; V888-M891 VanDerWaalsContact O-CB 3.26Å; V888-M891 WeakPolarHBondContact O-CB 3.22Å; V888-M891 PolarHBondContact O-N 2.73Å; V888-M891 VanDerWaalsContact O-N 3.16Å; V888-M892 HydrophobicContact CG1-CE 3.72Å; V888-M892 WeakPolarHBondContact O-CG 3.25Å; V888-M892 PolarHBondContact O-N 3.24Å; V888-L916 HydrophobicContact CG2-CD1 3.78Å
889Y96.6Very high93.9Very high45 Ų4556.7 Ų56.718%0.17629%0.286CS..Hα-helixtrans-66.8-36.8177.3-178.5-115.9000112.4M878 K880 P885 Q886 M891 M892 M893M878-Y889 PolarHBondContact O-OH 2.84Å; M878-Y889 VanDerWaalsContact O-OH 3.05Å; K880-Y889 VanDerWaalsContact CA-CD2 3.46Å; K880-Y889 HydrophobicContact CB-CD1 3.8Å; K880-Y889 HydrophobicContact CB-CD2 3.73Å; K880-Y889 HydrophobicContact CB-CE1 3.92Å; K880-Y889 HydrophobicContact CB-CE2 3.85Å; K880-Y889 HydrophobicContact CB-CG 3.68Å; K880-Y889 HydrophobicContact CD-CD1 4.25Å; K880-Y889 HydrophobicContact CD-CG 4.16Å; K880-Y889 HydrophobicContact CG-CD1 4.23Å; K880-Y889 HydrophobicContact CG-CD2 4.13Å; K880-Y889 HydrophobicContact CG-CG 3.84Å; K880-Y889 VanDerWaalsContact N-CE2 3.3Å; P885-Y889 PolarHBondContact O-N 3.35Å; P885-Y889 VanDerWaalsContact O-N 3.13Å; Q886-Y889 PolarHBondContact O-N 3.11Å; Q886-Y889 VanDerWaalsContact O-N 3.11Å; Y889-M891 PolarHBondContact O-N 2.94Å; Y889-M892 HydrophobicContact CD2-CB 4.5Å; Y889-M892 HydrophobicContact CD2-SD 4.14Å; Y889-M892 WeakPolarHBondContact O-CB 3.34Å; Y889-M892 PolarHBondContact O-N 3.17Å; Y889-M893 HydrophobicContact CD1-CG 4.49Å; Y889-M893 HydrophobicContact CE1-CG 4.11Å; Y889-M893 HydrophobicContact CE2-CG 4.31Å; Y889-M893 HydrophobicContact CE2-SD 4.39Å; Y889-M893 WeakPolarHBondContact O-CG 3.37Å; Y889-M893 PolarHBondContact O-N 3.23Å
890E95.7Very high93.9Very high91 Ų9154.3 Ų54.343%0.42527%0.268SS..Hα-helixtrans-61.3-36.6171.6-70.9-178-169.100111.9Q886 D887 V888 M893 K894Q886-E890 PolarHBondContact O-N 2.93Å; D887-E890 PolarHBondContact O-N 3.28Å; V888-E890 PolarHBondContact O-N 3.35Å; E890-M893 PolarHBondContact O-N 2.94Å; E890-K894 WeakPolarHBondContact O-CG 3.03Å; E890-K894 PolarHBondContact O-N 3.29Å
891M95.4Very high93.8Very high9 Ų957.3 Ų57.34%0.04428%0.284CS..Hα-helixtrans-63.9-44.5172.5-167.6-176.3-53.800112L848 D887 V888 Y889 M893 K894 C895 L909 N912 V913L848-M891 HydrophobicContact CD1-SD 4.17Å; D887-M891 PolarHBondContact O-N 3.11Å; V888-M891 VanDerWaalsContact O-CB 3.26Å; V888-M891 WeakPolarHBondContact O-CB 3.22Å; V888-M891 PolarHBondContact O-N 2.73Å; V888-M891 VanDerWaalsContact O-N 3.16Å; Y889-M891 PolarHBondContact O-N 2.94Å; M891-M893 VanDerWaalsContact C-N 3.3Å; M891-M893 PolarHBondContact O-N 3Å; M891-K894 PolarHBondContact O-N 3.2Å; M891-C895 PolarHBondContact O-N 3.35Å; M891-C895 PolarHBondContact O-SG 3Å; M891-L909 HydrophobicContact CG-CD2 3.38Å; M891-L909 HydrophobicContact SD-CD2 3.6Å; M891-N912 HydrophobicContact CE-CB 3.6Å; M891-V913 HydrophobicContact CE-CG2 3.61Å; M891-V913 HydrophobicContact SD-CG2 3.68Å
892M97.4Very high93.8Very high0 Ų062.8 Ų62.80%031%0.307CS..Hα-helixtrans-56.6-45.5174.1-62.9-179.6-162.900111.1L848 W849 F852 P881 A884 V888 Y889 K894 C895 W896L848-M892 HydrophobicContact CB-CE 3.62Å; L848-M892 HydrophobicContact CB-CG 3.88Å; L848-M892 HydrophobicContact CB-SD 4.27Å; L848-M892 HydrophobicContact CD1-CG 4.17Å; W849-M892 HydrophobicContact CB-SD 4.16Å; F852-M892 HydrophobicContact CB-CE 4.27Å; F852-M892 HydrophobicContact CD2-CE 3.94Å; F852-M892 HydrophobicContact CG-CE 4.39Å; P881-M892 HydrophobicContact CG-CE 3.91Å; P881-M892 HydrophobicContact CG-SD 4.12Å; A884-M892 HydrophobicContact CB-CE 4.24Å; V888-M892 HydrophobicContact CG1-CE 3.72Å; V888-M892 WeakPolarHBondContact O-CG 3.25Å; V888-M892 PolarHBondContact O-N 3.24Å; Y889-M892 HydrophobicContact CD2-CB 4.5Å; Y889-M892 HydrophobicContact CD2-SD 4.14Å; Y889-M892 WeakPolarHBondContact O-CB 3.34Å; Y889-M892 PolarHBondContact O-N 3.17Å; M892-K894 PolarHBondContact O-N 2.79Å; M892-C895 WeakPolarHBondContact O-CB 3.34Å; M892-C895 PolarHBondContact O-N 2.66Å; M892-C895 VanDerWaalsContact O-N 3.15Å; M892-W896 HydrophobicContact CB-CE3 4.4Å; M892-W896 HydrophobicContact CB-CH2 3.99Å; M892-W896 HydrophobicContact CB-CZ2 4.27Å; M892-W896 HydrophobicContact CB-CZ3 4.06Å; M892-W896 PolarHBondContact O-N 3.46Å; M892-W896 HydrophobicContact SD-CH2 4.28Å
893M96.7Very high94.2Very high74 Ų7455.2 Ų55.237%0.36527%0.271SS..Hα-helixtrans-64.2-37.5179-71-60.5-63.300112.9R877 Y889 E890 M891 W896R877-M893 HydrophobicContact CB-CE 4.23Å; R877-M893 HydrophobicContact CB-SD 4Å; R877-M893 HydrophobicContact CG-CE 4.15Å; R877-M893 HydrophobicContact CG-SD 4.34Å; Y889-M893 HydrophobicContact CD1-CG 4.49Å; Y889-M893 HydrophobicContact CE1-CG 4.11Å; Y889-M893 HydrophobicContact CE2-CG 4.31Å; Y889-M893 HydrophobicContact CE2-SD 4.39Å; Y889-M893 WeakPolarHBondContact O-CG 3.37Å; Y889-M893 PolarHBondContact O-N 3.23Å; E890-M893 PolarHBondContact O-N 2.94Å; M891-M893 VanDerWaalsContact C-N 3.3Å; M891-M893 PolarHBondContact O-N 3Å; M893-W896 PolarHBondContact O-N 3.43Å; M893-W896 HydrophobicContact SD-CE3 4.01Å; M893-W896 HydrophobicContact SD-CZ3 4.28Å
894K96.2Very high94.6Very high112 Ų11254.6 Ų54.649%0.48727%0.271SS..Hα-helixtrans-65-39172.6-73173-176.6170.70111.9E890 M891 M892 W896 N897 P904E890-K894 WeakPolarHBondContact O-CG 3.03Å; E890-K894 PolarHBondContact O-N 3.29Å; M891-K894 PolarHBondContact O-N 3.2Å; M892-K894 PolarHBondContact O-N 2.79Å; K894-W896 VanDerWaalsContact C-N 3.3Å; K894-W896 PolarHBondContact O-N 3.41Å; K894-N897 PolarHBondContact O-N 3.21Å; K894-P904 HydrophobicContact CB-CG 4.38Å
895C97.5Very high94.7Very high0 Ų057.3 Ų57.30%029%0.29CS..Hα-helixtrans-63.8-36.1175.4-64.20000111.9V841 M891 M892 N897 R903V841-C895 HydrophobicContact CG1-CB 4.08Å; V841-C895 WeakPolarHBondContact O-CB 3.15Å; M891-C895 PolarHBondContact O-N 3.35Å; M891-C895 PolarHBondContact O-SG 3Å; M892-C895 WeakPolarHBondContact O-CB 3.34Å; M892-C895 PolarHBondContact O-N 2.66Å; M892-C895 VanDerWaalsContact O-N 3.15Å; C895-N897 VanDerWaalsContact C-N 3.27Å; C895-N897 PolarHBondContact O-N 2.89Å; C895-R903 VanDerWaalsContact O-CD 3.28Å; C895-R903 WeakPolarHBondContact O-CD 3.46Å
896W97.3Very high95Very high4 Ų455.6 Ų55.62%0.01528%0.278CS..THydrogen-bonded Turntrans-89.326.2179.8-53.7-37.7000114.8W842 G845 I846 W849 R877 M878 M892 M893 K894 T898W842-W896 AromaticContact CD2-CD1 3.81Å; W842-W896 AromaticContact CE2-CD1 3.9Å; W842-W896 HydrophobicContact CE3-CB 4.12Å; W842-W896 HydrophobicContact CH2-CB 4.19Å; W842-W896 HydrophobicContact CZ3-CB 3.93Å; W842-W896 WeakPolarHBondContact CZ3-O 3.38Å; W842-W896 PolarHBondContact O-NE1 3.19Å; G845-W896 VanDerWaalsContact O-CZ2 3.24Å; G845-W896 WeakPolarHBondContact O-CZ2 3.49Å; I846-W896 HydrophobicContact CD1-CZ2 3.74Å; I846-W896 VanDerWaalsContact CD1-NE1 3.31Å; I846-W896 HydrophobicContact CG1-CZ2 4.49Å; W849-W896 HydrophobicContact CB-CH2 4.22Å; W849-W896 HydrophobicContact CB-CZ2 4.21Å; W849-W896 AromaticContact CD1-CH2 3.98Å; W849-W896 HydrophobicContact CG-CH2 4.37Å; R877-W896 HydrophobicContact CB-CE3 4.02Å; R877-W896 HydrophobicContact CB-CZ3 4.42Å; R877-W896 HydrophobicContact CG-CB 4.43Å; R877-W896 HydrophobicContact CG-CE3 4.31Å; R877-W896 PolarHBondContact NE-O 2.91Å; R877-W896 PolarHBondContact NH2-O 2.87Å; M878-W896 HydrophobicContact CB-CH2 4.26Å; M878-W896 HydrophobicContact CB-CZ3 4.41Å; M878-W896 HydrophobicContact CE-CH2 3.67Å; M878-W896 HydrophobicContact CE-CZ2 3.58Å; M892-W896 HydrophobicContact CB-CE3 4.4Å; M892-W896 HydrophobicContact CB-CH2 3.99Å; M892-W896 HydrophobicContact CB-CZ2 4.27Å; M892-W896 HydrophobicContact CB-CZ3 4.06Å; M892-W896 PolarHBondContact O-N 3.46Å; M892-W896 HydrophobicContact SD-CH2 4.28Å; M893-W896 PolarHBondContact O-N 3.43Å; M893-W896 HydrophobicContact SD-CE3 4.01Å; M893-W896 HydrophobicContact SD-CZ3 4.28Å; K894-W896 VanDerWaalsContact C-N 3.3Å; K894-W896 PolarHBondContact O-N 3.41Å; W896-T898 PolarHBondContact O-N 3.15Å
897N95.8Very high95Very high50 Ų5056.1 Ų56.127%0.26728%0.282SS..  trans-62.7135.9172.7-157.7-51000110.3K894 C895 E899 K902 R903K894-N897 PolarHBondContact O-N 3.21Å; C895-N897 VanDerWaalsContact C-N 3.27Å; C895-N897 PolarHBondContact O-N 2.89Å; N897-E899 VanDerWaalsContact C-N 3.26Å; N897-E899 PolarHBondContact O-N 3.4Å; N897-E899 PolarHBondContact OD1-N 3.32Å; N897-E899 VanDerWaalsContact OD1-N 3.1Å; N897-K902 HydrophobicContact CB-CB 4.3Å; N897-K902 WeakPolarHBondContact ND2-CB 3.45Å; N897-R903 HydrophobicContact CB-CG 3.93Å; N897-R903 PolarHBondContact O-NE 3.47Å; N897-R903 PolarHBondContact O-NH2 3.29Å
898T91.4Very high95.1Very high83 Ų8352.7 Ų52.751%0.50927%0.267SS..SBendtrans-64.2-34.5179.1-54.30000111.5R877 W896 P900R877-T898 PolarHBondContact NH2-OG1 3.36Å; W896-T898 PolarHBondContact O-N 3.15Å; T898-P900 WeakPolarHBondContact O-CD 3.34Å
899E92.1Very high95.1Very high101 Ų10152.6 Ų52.647%0.47227%0.266SS..SBendtrans-87.1118.5175-67.6169.7-128.800109.6N897 E901 K902N897-E899 VanDerWaalsContact C-N 3.26Å; N897-E899 PolarHBondContact O-N 3.4Å; N897-E899 PolarHBondContact OD1-N 3.32Å; N897-E899 VanDerWaalsContact OD1-N 3.1Å; E899-E901 VanDerWaalsContact C-N 3.32Å; E899-E901 PolarHBondContact O-N 3.23Å; E899-K902 HydrophobicContact CB-CB 4.33Å; E899-K902 HydrophobicContact CB-CD 4.09Å; E899-K902 HydrophobicContact CB-CG 4.15Å; E899-K902 PolarHBondContact O-N 2.97Å; E899-K902 IonicContact OE1-NZ 3.53Å; E899-K902 PolarHBondContact OE1-NZ 3.18Å; E899-K902 WeakPolarHBondContact OE2-CD 3.31Å; E899-K902 WeakPolarHBondContact OE2-CE 3.37Å; E899-K902 IonicContact OE2-NZ 2.72Å; E899-K902 PolarHBondContact OE2-NZ 3.43Å
900P92.1Very high95Very high37 Ų3750.6 Ų50.624%0.2426%0.259CS..G310 helixtrans-56.1-43.3-177.4-27.135.5000113.4E828 L838 T898 K902 R903E828-P900 HydrophobicContact CG-CG 4.32Å; L838-P900 HydrophobicContact CB-CB 4.14Å; L838-P900 HydrophobicContact CD1-CB 4.02Å; T898-P900 WeakPolarHBondContact O-CD 3.34Å; P900-K902 PolarHBondContact O-N 3.19Å; P900-K902 VanDerWaalsContact O-N 3.15Å; P900-R903 VanDerWaalsContact O-CB 3.25Å; P900-R903 WeakPolarHBondContact O-CB 3.5Å; P900-R903 WeakPolarHBondContact O-CG 3.42Å; P900-R903 PolarHBondContact O-N 3.01Å
901E92Very high94.8Very high150 Ų15052 Ų5270%0.70127%0.266SS*.G310 helixtrans-65.4-17.9-177.1-55.7-55.4151.100114.1E899 R903E899-E901 VanDerWaalsContact C-N 3.32Å; E899-E901 PolarHBondContact O-N 3.23Å; E901-R903 VanDerWaalsContact C-N 3.34Å
902K94.2Very high94.7Very high120 Ų12055 Ų5552%0.52228%0.282SS..G310 helixtrans-86.9-6.2175.8-71.2-176.3176.2156.90112.9N897 E899 P900N897-K902 HydrophobicContact CB-CB 4.3Å; N897-K902 WeakPolarHBondContact ND2-CB 3.45Å; E899-K902 HydrophobicContact CB-CB 4.33Å; E899-K902 HydrophobicContact CB-CD 4.09Å; E899-K902 HydrophobicContact CB-CG 4.15Å; E899-K902 PolarHBondContact O-N 2.97Å; E899-K902 IonicContact OE1-NZ 3.53Å; E899-K902 PolarHBondContact OE1-NZ 3.18Å; E899-K902 WeakPolarHBondContact OE2-CD 3.31Å; E899-K902 WeakPolarHBondContact OE2-CE 3.37Å; E899-K902 IonicContact OE2-NZ 2.72Å; E899-K902 PolarHBondContact OE2-NZ 3.43Å; P900-K902 PolarHBondContact O-N 3.19Å; P900-K902 VanDerWaalsContact O-N 3.15Å
903R96.6Very high94.5Very high11 Ų1155 Ų554%0.04228%0.282CS..SBendtrans-77.5144.4177.2-58.2176.1-167.4153.39.8109.3E828 L838 V841 C895 N897 P900 E901E828-R903 IonicContact OE1-CZ 3.19Å; E828-R903 IonicContact OE1-NH1 3.99Å; E828-R903 PolarHBondContact OE1-NH1 3.48Å; E828-R903 IonicContact OE1-NH2 3.21Å; E828-R903 PolarHBondContact OE1-NH2 3Å; E828-R903 IonicContact OE2-CZ 3.54Å; E828-R903 IonicContact OE2-NH1 2.72Å; E828-R903 IonicContact OE2-NH2 3.09Å; E828-R903 PolarHBondContact OE2-NH2 3.14Å; L838-R903 HydrophobicContact CD2-CB 4.46Å; L838-R903 WeakPolarHBondContact O-CD 3.45Å; L838-R903 PolarHBondContact O-NH1 3.1Å; V841-R903 HydrophobicContact CG1-CB 3.9Å; C895-R903 VanDerWaalsContact O-CD 3.28Å; C895-R903 WeakPolarHBondContact O-CD 3.46Å; N897-R903 HydrophobicContact CB-CG 3.93Å; N897-R903 PolarHBondContact O-NE 3.47Å; N897-R903 PolarHBondContact O-NH2 3.29Å; P900-R903 VanDerWaalsContact O-CB 3.25Å; P900-R903 WeakPolarHBondContact O-CB 3.5Å; P900-R903 WeakPolarHBondContact O-CG 3.42Å; P900-R903 PolarHBondContact O-N 3.01Å; E901-R903 VanDerWaalsContact C-N 3.34Å
904P96.4Very high94.2Very high27 Ų2752.4 Ų52.418%0.17527%0.272CS..PPolyproline II helixtrans-68.5151.3178.129.8-35.5000111.2V841 K894 L909V841-P904 HydrophobicContact CG1-CG 4.37Å; V841-P904 WeakPolarHBondContact CG1-O 3.17Å; V841-P904 VanDerWaalsContact CG2-O 3.31Å; V841-P904 WeakPolarHBondContact CG2-O 3.37Å; K894-P904 HydrophobicContact CB-CG 4.38Å; P904-L909 HydrophobicContact CB-CD2 4.18Å; P904-L909 HydrophobicContact CB-CG 4.08Å; P904-L909 HydrophobicContact CG-CD1 4.21Å; P904-L909 HydrophobicContact CG-CD2 3.54Å; P904-L909 HydrophobicContact CG-CG 3.79Å
905S95.8Very high93.9Very high63 Ų6351.5 Ų51.544%0.44128%0.279SS..PPolyproline II helixtrans-72.7157.9169.366.40000111.1M907 G908 L909S905-M907 PolarHBondContact O-N 2.9Å; S905-G908 PolarHBondContact O-N 3.45Å; S905-G908 VanDerWaalsContact O-N 3.09Å; S905-G908 PolarHBondContact OG-N 3.27Å; S905-L909 WeakPolarHBondContact O-CG 3.22Å; S905-L909 PolarHBondContact O-N 3.24Å
906F96.1Very high93.6Very high7 Ų753.9 Ų53.93%0.03129%0.292CS..Hα-helixtrans-59.8-33.5175.2-78.4-66000113.4M769 E770 A773 D840 V841 Y844 L909 S910M769-F906 HydrophobicContact CB-CD1 3.42Å; M769-F906 VanDerWaalsContact CB-CD1 3.42Å; M769-F906 HydrophobicContact CB-CD2 3.85Å; M769-F906 HydrophobicContact CB-CE1 3.37Å; M769-F906 HydrophobicContact CB-CE2 3.8Å; M769-F906 HydrophobicContact CB-CG 3.67Å; M769-F906 HydrophobicContact CB-CZ 3.57Å; M769-F906 HydrophobicContact CE-CE2 3.87Å; M769-F906 HydrophobicContact CE-CZ 3.8Å; M769-F906 HydrophobicContact CG-CD1 4.33Å; M769-F906 HydrophobicContact CG-CE1 3.83Å; M769-F906 HydrophobicContact CG-CZ 3.92Å; E770-F906 HydrophobicContact CB-CB 3.94Å; A773-F906 HydrophobicContact CB-CD2 4.25Å; D840-F906 HydrophobicContact CB-CE2 3.92Å; D840-F906 HydrophobicContact CB-CZ 3.98Å; V841-F906 HydrophobicContact CB-CZ 4.46Å; V841-F906 HydrophobicContact CG2-CD1 4.5Å; V841-F906 HydrophobicContact CG2-CD2 3.99Å; V841-F906 HydrophobicContact CG2-CE1 4.24Å; V841-F906 HydrophobicContact CG2-CE2 3.7Å; V841-F906 HydrophobicContact CG2-CG 4.38Å; V841-F906 HydrophobicContact CG2-CZ 3.83Å; Y844-F906 HydrophobicContact CD1-CE1 4.41Å; Y844-F906 HydrophobicContact CD2-CE1 4.05Å; Y844-F906 AromaticContact CG-CE1 3.82Å; Y844-F906 HydrophobicContact CG-CE1 3.82Å; F906-L909 HydrophobicContact CD1-CD1 3.93Å; F906-L909 HydrophobicContact CE1-CD1 4.24Å; F906-L909 PolarHBondContact O-N 2.85Å; F906-S910 WeakPolarHBondContact O-CB 3.41Å; F906-S910 PolarHBondContact O-N 3.35Å
907M93.5Very high93.2Very high105 Ų10554.3 Ų54.352%0.51730%0.295SS..Hα-helixtrans-58.5-51.9171.3-172.8177.774.200110.8E770 S905 L909 S910 E911E770-M907 HydrophobicContact CG-CB 4.28Å; S905-M907 PolarHBondContact O-N 2.9Å; M907-L909 VanDerWaalsContact C-N 3.33Å; M907-L909 PolarHBondContact O-N 3.11Å; M907-S910 PolarHBondContact O-N 3.31Å; M907-S910 PolarHBondContact O-OG 3.08Å; M907-E911 WeakPolarHBondContact O-CG 3.49Å; M907-E911 PolarHBondContact O-N 3.33Å
908G93.7Very high92.8Very high16 Ų1654.7 Ų54.717%0.16530%0.3CS..Hα-helixtrans-65.2-32.9177.600000113.5S905 N912S905-G908 PolarHBondContact O-N 3.45Å; S905-G908 VanDerWaalsContact O-N 3.09Å; S905-G908 PolarHBondContact OG-N 3.27Å; G908-N912 WeakPolarHBondContact O-CB 3.37Å; G908-N912 PolarHBondContact O-N 3.33Å; G908-N912 PolarHBondContact O-ND2 2.95Å
909L95.3Very high92.4Very high0 Ų055.1 Ų55.10%031%0.306CS..Hα-helixtrans-64.6-46.5171.9-72.4168.6000111.3V841 Y844 M891 P904 S905 F906 M907 E911 N912 V913V841-L909 HydrophobicContact CG1-CD1 4.08Å; V841-L909 HydrophobicContact CG2-CD1 4.31Å; Y844-L909 HydrophobicContact CD1-CD1 3.72Å; Y844-L909 HydrophobicContact CE1-CB 4.37Å; Y844-L909 HydrophobicContact CE1-CD1 3.85Å; Y844-L909 HydrophobicContact CE1-CD2 4.17Å; Y844-L909 HydrophobicContact CE1-CG 4.37Å; M891-L909 HydrophobicContact CG-CD2 3.38Å; M891-L909 HydrophobicContact SD-CD2 3.6Å; P904-L909 HydrophobicContact CB-CD2 4.18Å; P904-L909 HydrophobicContact CB-CG 4.08Å; P904-L909 HydrophobicContact CG-CD1 4.21Å; P904-L909 HydrophobicContact CG-CD2 3.54Å; P904-L909 HydrophobicContact CG-CG 3.79Å; S905-L909 WeakPolarHBondContact O-CG 3.22Å; S905-L909 PolarHBondContact O-N 3.24Å; F906-L909 HydrophobicContact CD1-CD1 3.93Å; F906-L909 HydrophobicContact CE1-CD1 4.24Å; F906-L909 PolarHBondContact O-N 2.85Å; M907-L909 VanDerWaalsContact C-N 3.33Å; M907-L909 PolarHBondContact O-N 3.11Å; L909-E911 VanDerWaalsContact C-N 3.29Å; L909-E911 PolarHBondContact O-N 3.27Å; L909-N912 PolarHBondContact O-N 3.37Å; L909-V913 VanDerWaalsContact O-CG2 3.31Å; L909-V913 WeakPolarHBondContact O-CG2 3.31Å; L909-V913 PolarHBondContact O-N 2.85Å
910S93.8Very high92Very high2 Ų252.8 Ų52.81%0.01430%0.301CS..Hα-helixtrans-61.4-38.3179.283.10000111.9Y763 K767 E770 F906 M907 A914Y763-S910 WeakPolarHBondContact CD2-O 3.29Å; Y763-S910 WeakPolarHBondContact CE2-O 3.37Å; K767-S910 PolarHBondContact NZ-OG 2.91Å; K767-S910 VanDerWaalsContact NZ-OG 3.1Å; E770-S910 PolarHBondContact OE2-OG 2.99Å; F906-S910 WeakPolarHBondContact O-CB 3.41Å; F906-S910 PolarHBondContact O-N 3.35Å; M907-S910 PolarHBondContact O-N 3.31Å; M907-S910 PolarHBondContact O-OG 3.08Å; S910-A914 VanDerWaalsContact O-CB 3.28Å; S910-A914 WeakPolarHBondContact O-CB 3.16Å; S910-A914 PolarHBondContact O-N 3.49Å
911E92.8Very high91.8Very high122 Ų12251.4 Ų51.457%0.5729%0.291SS*.Hα-helixtrans-67.8-42176.2-71179.7163.700112.2M907 L909 V913 A914 S915M907-E911 WeakPolarHBondContact O-CG 3.49Å; M907-E911 PolarHBondContact O-N 3.33Å; L909-E911 VanDerWaalsContact C-N 3.29Å; L909-E911 PolarHBondContact O-N 3.27Å; E911-V913 VanDerWaalsContact C-N 3.35Å; E911-V913 PolarHBondContact O-N 2.79Å; E911-A914 WeakPolarHBondContact O-CB 3.16Å; E911-A914 PolarHBondContact O-N 3.36Å; E911-S915 PolarHBondContact O-N 2.81Å; E911-S915 VanDerWaalsContact O-N 3.17Å
912N92.7Very high91.4Very high71 Ų7148.7 Ų48.738%0.3828%0.277SS..Hα-helixtrans-66.6-34.5177-71.6-35.4000112.7M891 G908 L909 S915M891-N912 HydrophobicContact CE-CB 3.6Å; G908-N912 WeakPolarHBondContact O-CB 3.37Å; G908-N912 PolarHBondContact O-N 3.33Å; G908-N912 PolarHBondContact O-ND2 2.95Å; L909-N912 PolarHBondContact O-N 3.37Å; N912-S915 PolarHBondContact O-OG 3.46Å
913V91.8Very high91Very high1 Ų151.8 Ų51.81%0.00629%0.285CS..Hα-helixtrans-75.3-36.4174.9-176.20000110.2T762 Y763 M891 L909 E911 S915 L916 L917T762-V913 HydrophobicContact CG2-CB 4.45Å; T762-V913 HydrophobicContact CG2-CG1 3.87Å; T762-V913 HydrophobicContact CG2-CG2 3.66Å; Y763-V913 HydrophobicContact CD2-CB 4.3Å; Y763-V913 HydrophobicContact CD2-CG1 4.42Å; M891-V913 HydrophobicContact CE-CG2 3.61Å; M891-V913 HydrophobicContact SD-CG2 3.68Å; L909-V913 VanDerWaalsContact O-CG2 3.31Å; L909-V913 WeakPolarHBondContact O-CG2 3.31Å; L909-V913 PolarHBondContact O-N 2.85Å; E911-V913 VanDerWaalsContact C-N 3.35Å; E911-V913 PolarHBondContact O-N 2.79Å; V913-S915 PolarHBondContact O-N 2.83Å; V913-L916 WeakPolarHBondContact O-CB 3.39Å; V913-L916 PolarHBondContact O-N 3.31Å; V913-L917 HydrophobicContact CG1-CD1 4.29Å; V913-L917 PolarHBondContact O-N 3.28Å
914A90.4Very high90.4Very high19 Ų1954 Ų5416%0.15730%0.296CS..Hα-helixtrans-60-32.2177.500000112.9Y763 S910 E911 L916 L917Y763-A914 HydrophobicContact CD2-CB 4.2Å; Y763-A914 HydrophobicContact CE2-CB 3.74Å; S910-A914 VanDerWaalsContact O-CB 3.28Å; S910-A914 WeakPolarHBondContact O-CB 3.16Å; S910-A914 PolarHBondContact O-N 3.49Å; E911-A914 WeakPolarHBondContact O-CB 3.16Å; E911-A914 PolarHBondContact O-N 3.36Å; A914-L916 VanDerWaalsContact C-N 3.27Å; A914-L916 PolarHBondContact O-N 3.38Å; A914-L917 PolarHBondContact O-N 3.48Å
915S91.6Very high90.2Very high92 Ų9253.1 Ų53.164%0.64329%0.289SS*.THydrogen-bonded Turntrans-72.9-18.4175.964.10000113.7E911 N912 V913E911-S915 PolarHBondContact O-N 2.81Å; E911-S915 VanDerWaalsContact O-N 3.17Å; N912-S915 PolarHBondContact O-OG 3.46Å; V913-S915 PolarHBondContact O-N 2.83Å
916L90.3Very high89.8Confident50 Ų5054.6 Ų54.626%0.26229%0.289SS..THydrogen-bonded Turntrans-88.4-12.4174.8-58.2176.8000112.7L759 D887 V888 V913 A914L759-L916 HydrophobicContact CD2-CB 4.29Å; L759-L916 HydrophobicContact CD2-CD1 4.33Å; D887-L916 HydrophobicContact CB-CD1 4.04Å; D887-L916 HydrophobicContact CB-CD2 3.82Å; V888-L916 HydrophobicContact CG2-CD1 3.78Å; V913-L916 WeakPolarHBondContact O-CB 3.39Å; V913-L916 PolarHBondContact O-N 3.31Å; A914-L916 VanDerWaalsContact C-N 3.27Å; A914-L916 PolarHBondContact O-N 3.38Å
917L89.3Confident89.4Confident14 Ų1460.4 Ų60.47%0.07331%0.314CS..SBendtrans-97.8153177.9-77.4165.6000111.1T756 L759 Y763 V913 A914 Y921T756-L917 HydrophobicContact CG2-CD2 4.4Å; L759-L917 HydrophobicContact CB-CD2 3.63Å; L759-L917 HydrophobicContact CB-CG 4.12Å; Y763-L917 HydrophobicContact CD1-CD1 4.38Å; Y763-L917 HydrophobicContact CD2-CD1 4.42Å; Y763-L917 HydrophobicContact CG-CD1 3.88Å; V913-L917 HydrophobicContact CG1-CD1 4.29Å; V913-L917 PolarHBondContact O-N 3.28Å; A914-L917 PolarHBondContact O-N 3.48Å; L917-Y921 HydrophobicContact CB-CD1 4.43Å; L917-Y921 HydrophobicContact CD1-CD1 3.78Å; L917-Y921 HydrophobicContact CD1-CE1 3.92Å; L917-Y921 HydrophobicContact CD1-CG 4.46Å; L917-Y921 HydrophobicContact CD2-CD1 4.49Å; L917-Y921 HydrophobicContact CD2-CG 4.39Å; L917-Y921 HydrophobicContact CG-CD1 4.48Å
918P87.4Confident89.1Confident57 Ų5756.5 Ų56.537%0.3730%0.296SS..  trans-55.3140.8170.8-24.134000111.6S920 Y921P918-S920 WeakPolarHBondContact CB-OG 3.33Å; P918-S920 PolarHBondContact O-N 3.25Å; P918-S920 VanDerWaalsContact O-N 3.17Å; P918-Y921 VanDerWaalsContact O-CB 3.25Å; P918-Y921 WeakPolarHBondContact O-CB 3.38Å; P918-Y921 PolarHBondContact O-N 2.68Å
919S81.9Confident88.9Confident93 Ų9357.5 Ų57.565%0.6530%0.298SS*.Hα-helixtrans-61.6-26.7179.159.10000113K922 R923S919-K922 PolarHBondContact O-N 2.88Å; S919-R923 PolarHBondContact O-N 2.77Å
920S83.9Confident88.5Confident51 Ų5161.7 Ų61.736%0.35732%0.317SS..Hα-helixtrans-61.2-40.617152.10000112.3P918 K922 R923 H924P918-S920 WeakPolarHBondContact CB-OG 3.33Å; P918-S920 PolarHBondContact O-N 3.25Å; P918-S920 VanDerWaalsContact O-N 3.17Å; S920-K922 PolarHBondContact O-N 2.72Å; S920-R923 PolarHBondContact O-N 3.48Å; S920-H924 WeakPolarHBondContact O-CB 3.34Å; S920-H924 PolarHBondContact O-N 2.76Å
921Y87.8Confident88.1Confident8 Ų863.4 Ų63.43%0.03133%0.327CS..Hα-helixtrans-60.6-45.9178.7-176.6-80.6000111.4L745 S760 Y763 Q764 L917 P918 R923 H924 Y925L745-Y921 HydrophobicContact CD1-CD2 3.94Å; L745-Y921 HydrophobicContact CD1-CE2 3.47Å; L745-Y921 VanDerWaalsContact CD1-CE2 3.47Å; L745-Y921 HydrophobicContact CD2-CE2 3.77Å; L745-Y921 HydrophobicContact CG-CD2 4.19Å; L745-Y921 HydrophobicContact CG-CE2 3.72Å; S760-Y921 WeakPolarHBondContact CB-OH 3.35Å; S760-Y921 PolarHBondContact OG-OH 2.93Å; Y763-Y921 AromaticContact CD1-CE1 3.83Å; Y763-Y921 HydrophobicContact CD1-CE1 3.83Å; Y763-Y921 HydrophobicContact CE1-CE1 4.3Å; Q764-Y921 PolarHBondContact NE2-OH 3.46Å; L917-Y921 HydrophobicContact CB-CD1 4.43Å; L917-Y921 HydrophobicContact CD1-CD1 3.78Å; L917-Y921 HydrophobicContact CD1-CE1 3.92Å; L917-Y921 HydrophobicContact CD1-CG 4.46Å; L917-Y921 HydrophobicContact CD2-CD1 4.49Å; L917-Y921 HydrophobicContact CD2-CG 4.39Å; L917-Y921 HydrophobicContact CG-CD1 4.48Å; P918-Y921 VanDerWaalsContact O-CB 3.25Å; P918-Y921 WeakPolarHBondContact O-CB 3.38Å; P918-Y921 PolarHBondContact O-N 2.68Å; Y921-R923 PolarHBondContact O-N 2.74Å; Y921-H924 PolarHBondContact O-N 3.24Å; Y921-Y925 WeakPolarHBondContact O-CB 3.17Å; Y921-Y925 PolarHBondContact O-N 3.24Å
922K84.5Confident87.9Confident93 Ų9358.6 Ų58.640%0.40430%0.304SS..Hα-helixtrans-59.4-47.3179-180177173.3177.30111.7S919 S920 H924 Y925 E926S919-K922 PolarHBondContact O-N 2.88Å; S920-K922 PolarHBondContact O-N 2.72Å; K922-H924 VanDerWaalsContact C-N 3.31Å; K922-H924 PolarHBondContact O-N 2.82Å; K922-Y925 PolarHBondContact O-N 3.15Å; K922-E926 WeakPolarHBondContact CE-OE1 3.25Å; K922-E926 IonicContact NZ-OE1 2.79Å; K922-E926 WeakPolarHBondContact O-CB 3.26Å; K922-E926 WeakPolarHBondContact O-CG 3.4Å; K922-E926 PolarHBondContact O-N 3.04Å
923R85.6Confident87.6Confident185 Ų18559 Ų5970%0.69831%0.305SS*.Hα-helixtrans-62.2-40.4177.9-69.1-178.4-174.3164.52.8111.7S919 S920 Y921 E926 K927S919-R923 PolarHBondContact O-N 2.77Å; S920-R923 PolarHBondContact O-N 3.48Å; Y921-R923 PolarHBondContact O-N 2.74Å; R923-E926 PolarHBondContact O-N 2.8Å; R923-K927 WeakPolarHBondContact O-CB 3.46Å; R923-K927 PolarHBondContact O-N 3.42Å
924H85Confident87.2Confident58 Ų5866.1 Ų66.127%0.26934%0.336SS..Hα-helixtrans-65.1-47.5177.4-17198.7000111.4L745 S920 Y921 K922 E926 K927 V928L745-H924 WeakPolarHBondContact CD1-CD2 3.29Å; S920-H924 WeakPolarHBondContact O-CB 3.34Å; S920-H924 PolarHBondContact O-N 2.76Å; Y921-H924 PolarHBondContact O-N 3.24Å; K922-H924 VanDerWaalsContact C-N 3.31Å; K922-H924 PolarHBondContact O-N 2.82Å; H924-E926 VanDerWaalsContact C-N 3.34Å; H924-E926 PolarHBondContact O-N 3.01Å; H924-K927 WeakPolarHBondContact O-CB 3.39Å; H924-K927 PolarHBondContact O-N 2.64Å; H924-V928 WeakPolarHBondContact O-CG2 3.42Å; H924-V928 PolarHBondContact O-N 3.15Å
925Y90.7Very high86.8Confident8 Ų867.1 Ų67.13%0.03134%0.342CS..Hα-helixtrans-59.1-43.9176175-87.1000111.8L620 N621 Y763 Q764 K767 Y921 K922 K927 V928 N929L620-Y925 HydrophobicContact CD2-CD2 4.43Å; L620-Y925 HydrophobicContact CD2-CE2 3.82Å; N621-Y925 WeakPolarHBondContact OD1-CE2 3.33Å; N621-Y925 PolarHBondContact OD1-OH 2.84Å; Y763-Y925 HydrophobicContact CD1-CG 4.5Å; Y763-Y925 AromaticContact CE1-CD1 3.7Å; Y763-Y925 HydrophobicContact CE1-CD1 3.7Å; Y763-Y925 HydrophobicContact CE1-CD2 4.21Å; Y763-Y925 HydrophobicContact CE1-CE1 4.1Å; Y763-Y925 AromaticContact CE1-CG 3.79Å; Y763-Y925 HydrophobicContact CE1-CG 3.79Å; Q764-Y925 HydrophobicContact CG-CD2 4.14Å; Q764-Y925 HydrophobicContact CG-CE2 3.93Å; K767-Y925 HydrophobicContact CD-CE1 4.41Å; K767-Y925 HydrophobicContact CG-CE1 4.14Å; Y921-Y925 WeakPolarHBondContact O-CB 3.17Å; Y921-Y925 PolarHBondContact O-N 3.24Å; K922-Y925 PolarHBondContact O-N 3.15Å; Y925-K927 VanDerWaalsContact C-N 3.33Å; Y925-K927 PolarHBondContact O-N 2.92Å; Y925-V928 PolarHBondContact O-N 3.18Å; Y925-N929 HydrophobicContact CE1-CB 4.37Å; Y925-N929 WeakPolarHBondContact O-CB 3.47Å; Y925-N929 PolarHBondContact O-N 3.32Å
926E87.9Confident86.3Confident95 Ų9565.3 Ų65.344%0.44433%0.325SS..Hα-helixtrans-61.4-40.6176.3-75.3171.5-179.900112K922 R923 H924 N929 H930K922-E926 WeakPolarHBondContact CE-OE1 3.25Å; K922-E926 IonicContact NZ-OE1 2.79Å; K922-E926 WeakPolarHBondContact O-CB 3.26Å; K922-E926 WeakPolarHBondContact O-CG 3.4Å; K922-E926 PolarHBondContact O-N 3.04Å; R923-E926 PolarHBondContact O-N 2.8Å; H924-E926 VanDerWaalsContact C-N 3.34Å; H924-E926 PolarHBondContact O-N 3.01Å; E926-N929 PolarHBondContact O-N 3.1Å; E926-H930 VanDerWaalsContact O-CB 3.25Å; E926-H930 WeakPolarHBondContact O-CB 3.33Å; E926-H930 PolarHBondContact O-N 2.78Å
927K87.8Confident86Confident128 Ų12864 Ų6456%0.55732%0.318SS*.Hα-helixtrans-61.1-50.9173.7-175.3-176.8177.8-174.50111.2R923 H924 Y925 N929 H930 D931R923-K927 WeakPolarHBondContact O-CB 3.46Å; R923-K927 PolarHBondContact O-N 3.42Å; H924-K927 WeakPolarHBondContact O-CB 3.39Å; H924-K927 PolarHBondContact O-N 2.64Å; Y925-K927 VanDerWaalsContact C-N 3.33Å; Y925-K927 PolarHBondContact O-N 2.92Å; K927-N929 VanDerWaalsContact C-N 3.33Å; K927-N929 PolarHBondContact O-N 2.83Å; K927-H930 PolarHBondContact O-N 3.4Å; K927-D931 WeakPolarHBondContact O-CB 3.29Å; K927-D931 PolarHBondContact O-N 2.76Å
928V87.7Confident85.8Confident23 Ų2363.4 Ų63.414%0.13931%0.314CS..Hα-helixtrans-60.4-42.6178.9174.50000111.4L620 H924 Y925 D931 F932L620-V928 HydrophobicContact CD1-CG1 4.37Å; L620-V928 HydrophobicContact CD2-CG1 3.96Å; H924-V928 WeakPolarHBondContact O-CG2 3.42Å; H924-V928 PolarHBondContact O-N 3.15Å; Y925-V928 PolarHBondContact O-N 3.18Å; V928-D931 PolarHBondContact O-N 2.81Å; V928-F932 WeakPolarHBondContact O-CB 3.05Å; V928-F932 PolarHBondContact O-N 3.02Å
929N89.6Confident85.7Confident38 Ų3860.7 Ų60.720%0.20330%0.297CS..Hα-helixtrans-64.5-41.9177.2-177.156.3000112.1L620 Y925 E926 K927 F932 L933L620-N929 HydrophobicContact CD2-CB 4.01Å; Y925-N929 HydrophobicContact CE1-CB 4.37Å; Y925-N929 WeakPolarHBondContact O-CB 3.47Å; Y925-N929 PolarHBondContact O-N 3.32Å; E926-N929 PolarHBondContact O-N 3.1Å; K927-N929 VanDerWaalsContact C-N 3.33Å; K927-N929 PolarHBondContact O-N 2.83Å; N929-F932 PolarHBondContact O-N 3.38Å; N929-L933 WeakPolarHBondContact O-CG 3.19Å; N929-L933 PolarHBondContact O-N 3.48Å
930H85.4Confident85.9Confident87 Ų8756.6 Ų56.640%0.40327%0.268SS..Hα-helixtrans-65.8-40.5175.9172.3-87.5000112E926 K927 L933 K934E926-H930 VanDerWaalsContact O-CB 3.25Å; E926-H930 WeakPolarHBondContact O-CB 3.33Å; E926-H930 PolarHBondContact O-N 2.78Å; K927-H930 PolarHBondContact O-N 3.4Å; H930-L933 PolarHBondContact O-N 3.49Å; H930-K934 WeakPolarHBondContact CE1-CD 3.47Å; H930-K934 VanDerWaalsContact CE1-CE 3.42Å; H930-K934 WeakPolarHBondContact CE1-CE 3.47Å; H930-K934 PolarHBondContact CE1-NZ 3Å; H930-K934 WeakPolarHBondContact NE2-CE 2.93Å; H930-K934 PolarHBondContact NE2-NZ 3.42Å; H930-K934 PolarHBondContact O-N 3.34Å
931D86.6Confident85.9Confident39 Ų3956.7 Ų56.721%0.20927%0.267CS..Hα-helixtrans-66-40.4176.6-68.4-12.3000111K927 V928 K934 S935K927-D931 WeakPolarHBondContact O-CB 3.29Å; K927-D931 PolarHBondContact O-N 2.76Å; V928-D931 PolarHBondContact O-N 2.81Å; D931-K934 PolarHBondContact O-N 3.44Å; D931-S935 VanDerWaalsContact O-CB 3.28Å; D931-S935 WeakPolarHBondContact O-CB 3.35Å; D931-S935 PolarHBondContact O-N 3.01Å
932F88.4Confident85.5Confident21 Ų2158.3 Ų58.39%0.09227%0.273CS..Hα-helixtrans-57.6-49.4171.7168.9-101.3000111.7P618 L620 N624 V928 N929 K934 S935 H937 V940P618-F932 HydrophobicContact CB-CE1 4.25Å; P618-F932 HydrophobicContact CB-CZ 4.15Å; L620-F932 HydrophobicContact CB-CD1 4.24Å; L620-F932 HydrophobicContact CD1-CB 4.09Å; L620-F932 HydrophobicContact CD1-CD2 4.34Å; L620-F932 HydrophobicContact CD1-CG 4.09Å; N624-F932 VanDerWaalsContact ND2-CZ 3.35Å; N624-F932 WeakPolarHBondContact ND2-CZ 3.37Å; V928-F932 WeakPolarHBondContact O-CB 3.05Å; V928-F932 PolarHBondContact O-N 3.02Å; N929-F932 PolarHBondContact O-N 3.38Å; F932-K934 VanDerWaalsContact C-N 3.26Å; F932-K934 PolarHBondContact O-N 3.45Å; F932-S935 PolarHBondContact O-N 3.47Å; F932-S935 PolarHBondContact O-OG 3.29Å; F932-H937 HydrophobicContact CE2-CB 4.39Å; F932-H937 AromaticContact CE2-CE1 3.98Å; F932-H937 AromaticContact CE2-CG 3.85Å; F932-H937 AromaticContact CE2-ND1 3.76Å; F932-V940 HydrophobicContact CE1-CG2 4.15Å; F932-V940 HydrophobicContact CZ-CG2 4.08Å
933L86.4Confident85.2Confident79 Ų7956.2 Ų56.241%0.41427%0.267SS..Hα-helixtrans-68.9-19.7-179.2-68.7174.2000114.1N929 H930 V940N929-L933 WeakPolarHBondContact O-CG 3.19Å; N929-L933 PolarHBondContact O-N 3.48Å; H930-L933 PolarHBondContact O-N 3.49Å; L933-V940 VanDerWaalsContact O-CG1 3.25Å; L933-V940 WeakPolarHBondContact O-CG1 3.42Å
934K83.7Confident84Confident151 Ų15150.1 Ų50.166%0.65725%0.253SS*.Hα-helixtrans-99.6-12.2175.5-73.9-170.5174.4174.80114.1H930 D931 F932H930-K934 WeakPolarHBondContact CE1-CD 3.47Å; H930-K934 VanDerWaalsContact CE1-CE 3.42Å; H930-K934 WeakPolarHBondContact CE1-CE 3.47Å; H930-K934 PolarHBondContact CE1-NZ 3Å; H930-K934 WeakPolarHBondContact NE2-CE 2.93Å; H930-K934 PolarHBondContact NE2-NZ 3.42Å; H930-K934 PolarHBondContact O-N 3.34Å; D931-K934 PolarHBondContact O-N 3.44Å; F932-K934 VanDerWaalsContact C-N 3.26Å; F932-K934 PolarHBondContact O-N 3.45Å
935S81.4Confident82.5Confident40 Ų4053 Ų5328%0.2827%0.269SS..SBendtrans-66.7164.517970.80000111.2D931 F932 H937D931-S935 VanDerWaalsContact O-CB 3.28Å; D931-S935 WeakPolarHBondContact O-CB 3.35Å; D931-S935 PolarHBondContact O-N 3.01Å; F932-S935 PolarHBondContact O-N 3.47Å; F932-S935 PolarHBondContact O-OG 3.29Å; S935-H937 PolarHBondContact O-N 3.47Å; S935-H937 VanDerWaalsContact O-N 3.12Å; S935-H937 WeakPolarHBondContact OG-CB 3.2Å; S935-H937 PolarHBondContact OG-N 2.84Å
936D80.6Confident80.3Confident54 Ų5459.1 Ų59.129%0.28930%0.298SS..  trans-83.628.8171.473.3-26.8000112.8S581 S583 T941S581-D936 PolarHBondContact OG-O 2.84Å; S583-D936 WeakPolarHBondContact CB-OD1 3.49Å; S583-D936 WeakPolarHBondContact CB-OD2 3.31Å; S583-D936 PolarHBondContact N-OD2 3.38Å; S583-D936 PolarHBondContact OG-OD1 2.92Å; S583-D936 PolarHBondContact OG-OD2 3.42Å; D936-T941 HydrophobicContact CB-CG2 4.08Å
937H84.8Confident77.8Confident23 Ų2359.3 Ų59.311%0.10631%0.305CS..  trans-53.9133.8176.9-170.9-94.6000110.5L626 E640 F932 S935 A939 V940 T941L626-H937 WeakPolarHBondContact CD2-CE1 3.49Å; E640-H937 IonicContact OE1-CE1 3.49Å; E640-H937 PolarHBondContact OE1-CE1 3.36Å; E640-H937 IonicContact OE1-NE2 2.85Å; E640-H937 PolarHBondContact OE1-NE2 3.27Å; F932-H937 HydrophobicContact CE2-CB 4.39Å; F932-H937 AromaticContact CE2-CE1 3.98Å; F932-H937 AromaticContact CE2-CG 3.85Å; F932-H937 AromaticContact CE2-ND1 3.76Å; S935-H937 PolarHBondContact O-N 3.47Å; S935-H937 VanDerWaalsContact O-N 3.12Å; S935-H937 WeakPolarHBondContact OG-CB 3.2Å; S935-H937 PolarHBondContact OG-N 2.84Å; H937-A939 WeakPolarHBondContact ND1-CB 3.49Å; H937-A939 PolarHBondContact ND1-N 3.45Å; H937-A939 PolarHBondContact O-N 2.89Å; H937-A939 VanDerWaalsContact O-N 3.08Å; H937-V940 HydrophobicContact CB-CB 4.34Å; H937-V940 HydrophobicContact CB-CG2 4.1Å; H937-V940 PolarHBondContact O-N 2.93Å; H937-T941 PolarHBondContact O-N 3.47Å; H937-T941 PolarHBondContact O-OG1 3.19Å
938P84.2Confident75.3Confident0 Ų060.1 Ų60.10%032%0.316CS..Hα-helixtrans-51.6-35.6-176.2-32.837.6000114.9L580 M587 L626 T941 R942L580-P938 HydrophobicContact CD2-CG 4.45Å; L580-P938 HydrophobicContact CG-CB 4.24Å; L580-P938 HydrophobicContact CG-CG 4.18Å; M587-P938 HydrophobicContact CE-CG 3.99Å; M587-P938 HydrophobicContact SD-CG 4.11Å; L626-P938 HydrophobicContact CB-CB 4.21Å; L626-P938 HydrophobicContact CD2-CB 3.93Å; L626-P938 HydrophobicContact CD2-CG 4.34Å; P938-T941 PolarHBondContact O-OG1 2.9Å; P938-R942 VanDerWaalsContact CA-NH1 3.35Å; P938-R942 WeakPolarHBondContact O-CB 3.49Å; P938-R942 VanDerWaalsContact O-CG 3.28Å; P938-R942 WeakPolarHBondContact O-CG 3.32Å; P938-R942 PolarHBondContact O-N 3.36Å; P938-R942 PolarHBondContact O-NH1 3.3Å
939A85.5Confident72.7Confident1 Ų163.1 Ų63.11%0.00834%0.343CS..Hα-helixtrans-73.8-34179.300000112.9P618 N624 L625 L626 H937 V943P618-A939 HydrophobicContact CB-CB 3.92Å; N624-A939 HydrophobicContact CB-CB 3.77Å; L625-A939 WeakPolarHBondContact O-CB 3.45Å; L626-A939 HydrophobicContact CD2-CB 4.3Å; H937-A939 WeakPolarHBondContact ND1-CB 3.49Å; H937-A939 PolarHBondContact ND1-N 3.45Å; H937-A939 PolarHBondContact O-N 2.89Å; H937-A939 VanDerWaalsContact O-N 3.08Å; A939-V943 WeakPolarHBondContact O-CG2 3.25Å
940V85.9Confident70.1Confident6 Ų668.4 Ų68.44%0.03637%0.371CS..Hα-helixtrans-77.9-51.7-178.4175.30000109.8P618 F932 L933 H937 R942 V943 C944P618-V940 HydrophobicContact CB-CG2 4.17Å; P618-V940 HydrophobicContact CG-CG2 4.07Å; F932-V940 HydrophobicContact CE1-CG2 4.15Å; F932-V940 HydrophobicContact CZ-CG2 4.08Å; L933-V940 VanDerWaalsContact O-CG1 3.25Å; L933-V940 WeakPolarHBondContact O-CG1 3.42Å; H937-V940 HydrophobicContact CB-CB 4.34Å; H937-V940 HydrophobicContact CB-CG2 4.1Å; H937-V940 PolarHBondContact O-N 2.93Å; V940-R942 VanDerWaalsContact C-N 3.28Å; V940-R942 PolarHBondContact O-N 3.32Å; V940-V943 PolarHBondContact O-N 2.92Å; V940-C944 PolarHBondContact O-N 2.92Å; V940-C944 PolarHBondContact O-SG 2.85Å; V940-C944 VanDerWaalsContact O-SG 3.33Å
941T83.9Confident67.4Low54 Ų5474.2 Ų74.233%0.33139%0.391SS..Hα-helixtrans-59-35.5-178.449.60000113.5D936 H937 P938 V943 I945D936-T941 HydrophobicContact CB-CG2 4.08Å; H937-T941 PolarHBondContact O-N 3.47Å; H937-T941 PolarHBondContact O-OG1 3.19Å; P938-T941 PolarHBondContact O-OG1 2.9Å; T941-V943 VanDerWaalsContact C-N 3.32Å; T941-V943 PolarHBondContact O-N 3.06Å; T941-I945 WeakPolarHBondContact O-CG1 3.27Å
942R80.8Confident64.8Low42 Ų4278.5 Ų78.516%0.15842%0.418CS..Hα-helixtrans-73.5-21.7178.3-74.2-179.4177.976.3-3.7113.8W551 L580 L626 P938 V940W551-R942 HydrophobicContact CH2-CB 4.16Å; W551-R942 HydrophobicContact CZ2-CB 4.27Å; W551-R942 HydrophobicContact CZ3-CB 4.29Å; L580-R942 PolarHBondContact O-NH1 3.32Å; L580-R942 PolarHBondContact O-NH2 3.2Å; L626-R942 PolarHBondContact O-NH1 3Å; P938-R942 VanDerWaalsContact CA-NH1 3.35Å; P938-R942 WeakPolarHBondContact O-CB 3.49Å; P938-R942 VanDerWaalsContact O-CG 3.28Å; P938-R942 WeakPolarHBondContact O-CG 3.32Å; P938-R942 PolarHBondContact O-N 3.36Å; P938-R942 PolarHBondContact O-NH1 3.3Å; V940-R942 VanDerWaalsContact C-N 3.28Å; V940-R942 PolarHBondContact O-N 3.32Å
943V77.9Confident61.8Low48 Ų4883.4 Ų83.429%0.29145%0.446SS..Hα-helixtrans-94.1-36.7177.4177.50000111.4W551 A939 V940 T941 I945 E946W551-V943 HydrophobicContact CH2-CG2 4.22Å; W551-V943 HydrophobicContact CZ2-CG2 3.75Å; A939-V943 WeakPolarHBondContact O-CG2 3.25Å; V940-V943 PolarHBondContact O-N 2.92Å; T941-V943 VanDerWaalsContact C-N 3.32Å; T941-V943 PolarHBondContact O-N 3.06Å; V943-I945 VanDerWaalsContact C-N 3.32Å; V943-I945 PolarHBondContact O-N 3.27Å; V943-E946 PolarHBondContact O-N 2.89Å
944C61.2Low58.9Low58 Ų5886.6 Ų86.639%0.39246%0.462SS..Hα-helixtrans-70.5-15.8-176.5-69.30000115.8V940 E946 T947V940-C944 PolarHBondContact O-N 2.92Å; V940-C944 PolarHBondContact O-SG 2.85Å; V940-C944 VanDerWaalsContact O-SG 3.33Å; C944-E946 PolarHBondContact O-N 2.95Å; C944-E946 VanDerWaalsContact O-N 3.1Å; C944-T947 PolarHBondContact O-N 3.33Å; C944-T947 VanDerWaalsContact O-N 3.11Å; C944-T947 PolarHBondContact O-OG1 2.71Å
945I53.3Low56.2Low119 Ų11985 Ų8561%0.6147%0.467SS*.THydrogen-bonded Turntrans-64.3-14.1177-69.3168.6000112.2T941 V943T941-I945 WeakPolarHBondContact O-CG1 3.27Å; V943-I945 VanDerWaalsContact C-N 3.32Å; V943-I945 PolarHBondContact O-N 3.27Å
946E44.1Very low53.5Low136 Ų13694.1 Ų94.164%0.63650%0.496SS*.THydrogen-bonded Turntrans-78.4-18.4174.4-63.4-169.9165.100114.4R550 V943 C944R550-E946 IonicContact CZ-OE1 2.65Å; R550-E946 IonicContact NH1-OE1 3.74Å; R550-E946 IonicContact NH2-OE1 3.93Å; R550-E946 PolarHBondContact NH2-OE1 3.04Å; V943-E946 PolarHBondContact O-N 2.89Å; C944-E946 PolarHBondContact O-N 2.95Å; C944-E946 VanDerWaalsContact O-N 3.1Å
947T35.8Very low50.9Low98 Ų98100.4 Ų100.460%0.60152%0.521SS*.SBendtrans-98.4-4.4-170.637.50000115.7C944 A949C944-T947 PolarHBondContact O-N 3.33Å; C944-T947 VanDerWaalsContact O-N 3.11Å; C944-T947 PolarHBondContact O-OG1 2.71Å; T947-A949 PolarHBondContact O-N 3.3Å
948D33.9Very low48.2Very low146 Ų146107.5 Ų107.578%0.78156%0.56SS**THydrogen-bonded Turntrans-78.333.7-179.5-81.9-12.5000114.2
949A34.3Very low45.4Very low86 Ų86116.5 Ų116.571%0.71160%0.602SS**THydrogen-bonded Turntrans-95.3-15.2164.300000113T947T947-A949 PolarHBondContact O-N 3.3Å
950D34.7Very low42.6Very low148 Ų148119.8 Ų119.879%0.79164%0.636SS**SBendtrans-133.150.2-172.5-74.5-35.6000113.5
951Y27.7Very low39.8Very low209 Ų209129.8 Ų129.882%0.8268%0.679SS**  trans-163.979.3153.3-142.7-102.4000112.7
952V31.9Very low37.1Very low129 Ų129135.1 Ų135.178%0.78271%0.705SS**  trans-85.6109.2162.21780000107.6
953D26.3Very low34.6Very low124 Ų124141.4 Ų141.466%0.66373%0.733SS**  trans165.7116.1135.3-87.3-29.7000111.2
954I25.8Very low32.1Very low147 Ų147144.9 Ų144.975%0.75475%0.75SS**  175.4122126.5-81.5150.7000107.9
955P27.3Very low30.5Very low117 Ų117153.7 Ų153.776%0.7678%0.775SS**PPolyproline II helixtrans-90.6130.7-175.934.2-30.4000111.6
956Y24.6Very low29.2Very low231 Ų231156.6 Ų156.691%0.90679%0.786SS**PPolyproline II helixtrans-95.1118.2166.5-105.4-89000111.5
957K26.4Very low28.4Very low187 Ų187155.9 Ų155.981%0.81380%0.796SS**PPolyproline II helixtrans-73.8124.7175.1-79.3174.2173.2172.20110.8
958N26.1Very low27.9Very low172 Ų172155 Ų15592%0.9281%0.806SS**  trans-94.3105.3158.9-92.2-20000109.9
959Q27.3Very low27.5Very low189 Ų189155.7 Ų155.788%0.88380%0.803SS**  trans-107.6128.2150-72.6179.9-9.800104.9
960G25.3Very low27.1Very low69 Ų69159.7 Ų159.771%0.71181%0.812SS**  cis151.5126.49.400000105.9
961K27.2Very low26.9Very low216 Ų216159.5 Ų159.594%0.93981%0.806SS**  trans-175.4101.4141.9-104.1172.7-175.1-178.70110.2
962L26.7Very low26.8Very low167 Ų167158.4 Ų158.487%0.87481%0.809SS**  trans-78.5165.5164.2-107.9149.2000110.7
963K28.2Very low26.5Very low173 Ų173163 Ų16375%0.75281%0.812SS**  trans102.3133.5157.7-68-161.8148.5-164.90116.7
964D27.2Very low26.5Very low121 Ų121165.3 Ų165.365%0.64782%0.824SS**  cis-162.6141.77.6-90.7-32.1000109.1
965R26.3Very low26.5Very low243 Ų243164.2 Ų164.292%0.91783%0.829SS**  169.698123.3-94.5174.683135.5-1.7113.3
966E25.3Very low26.7Very low180 Ų180163.8 Ų163.884%0.84183%0.828SS**  trans-2133.7144-71.3176.1155.500122.4
967S27.3Very low26.8Very low121 Ų121159.8 Ų159.885%0.84682%0.823SS**  104.1124.4118.469.30000120.4
968G25.2Very low26.9Very low79 Ų79156.3 Ų156.381%0.81482%0.822SS**  trans167.978.1167.300000111.1
969F26.8Very low26.9Very low162 Ų162151.1 Ų151.171%0.71181%0.809SS**  trans-59.2144.4-179.2-98-106000114.6E971F969-E971 HydrophobicContact CD1-CG 4.11Å; F969-E971 HydrophobicContact CE1-CG 3.94Å
970D25.4Very low26.9Very low169 Ų169154 Ų15490%0.90481%0.813SS**  -153118.2115.6-100.2-23.2000110.2
971E29.5Very low27.1Very low144 Ų144157.5 Ų157.567%0.67381%0.814SS**  trans-95.4145.1175.8-80.9-177142.900110.6F969F969-E971 HydrophobicContact CD1-CG 4.11Å; F969-E971 HydrophobicContact CE1-CG 3.94Å
972Q26.8Very low27.4Very low187 Ų187153.5 Ų153.587%0.87480%0.802SS**  trans-156.798133.4-112.9166.725.800114.4
973R25.9Very low27.6Very low225 Ų225151.6 Ų151.685%0.84980%0.8SS**  trans47.8112.8135.3-74.8-173.1168.7117.32.3121.9
974L26.5Very low27.6Very low173 Ų173150.3 Ų150.391%0.90680%0.8SS**  trans-54.4147.5139.5-77.2145.9000112.6
975S25.2Very low27.9Very low123 Ų123150.6 Ų150.686%0.8681%0.808SS**  trans-145124.9147.1-159.80000110.5
976S30.7Very low27.9Very low108 Ų108146.3 Ų146.376%0.75580%0.804SS**  trans-99.8127.8158.944.50000107.8
977D27Very low28.1Very low148 Ų148146.1 Ų146.179%0.79181%0.808SS**  trans-163.7123143.8-134.7-13.1000113
978S29.6Very low28.2Very low114 Ų114147.8 Ų147.880%0.79781%0.807SS**  trans13.3145140.6-35.60000119.9
979G26.1Very low29.1Very low62 Ų62149.1 Ų149.164%0.63980%0.801SS**  cis150.2162.817.600000108.3
980Y25.8Very low29.1Very low250 Ų250149.2 Ų149.298%0.9881%0.808SS**  trans-175.3147.2145-103.1-72.6000111.8
981I29.4Very low29.2Very low143 Ų143146.2 Ų146.273%0.73380%0.8SS**  trans-121.3134.8-158.6-89.2170.8000110.9
982I34.2Very low29.3Very low132 Ų132146.4 Ų146.468%0.67781%0.805SS**  trans48.7148140.9-27.9166.4000120.3
983P30.6Very low29.4Very low127 Ų127144.9 Ų144.983%0.82580%0.803SS**  -141.91418329.4-7.9000115.8
984L29.8Very low29.7Very low146 Ų146140.5 Ų140.576%0.76480%0.797SS**PPolyproline II helixtrans-72.8150.8154.9-77.4155.2000108.7
985P31.8Very low29.8Very low126 Ų126142.6 Ų142.682%0.81879%0.794SS**PPolyproline II helixtrans-81141.7176.730.6-30.3000112.9
986D27.5Very low30.1Very low153 Ų153140 Ų14082%0.81879%0.787SS**PPolyproline II helixtrans-70.2154.3-175.9-62.8-54.9000115
987L28.4Very low30Very low177 Ų177144.1 Ų144.193%0.92779%0.791SS**  trans-113.5122.6156.3-85.8162.4000107.9
988D29.9Very low30.1Very low156 Ų156147.9 Ų147.983%0.83479%0.794SS**  trans-74159.7178.5-81.6-41.2000113.7
989P45.2Very low30Very low106 Ų106149.1 Ų149.169%0.68879%0.792SS**  trans-108.4178.8-171.439.1-28.9000116
990I26Very low30.2Very low165 Ų165156.2 Ų156.285%0.84680%0.8SS**  trans97.9131.6169.1-52.2160000112.8
991S27.4Very low30.3Very low106 Ų106152 Ų15274%0.74179%0.788SS**  cis-150162.833.851.20000114.7
992D30.9Very low30.1Very low147 Ų147149.8 Ų149.879%0.78679%0.785SS**  trans-40.1141.4165.3-65.7-53.3000115.3
993D30.6Very low30Very low156 Ų156148.2 Ų148.283%0.83479%0.786SS**  -161.3119.1129.3-93.6-25.4000111.6
994D30.9Very low30Very low132 Ų132151 Ų15171%0.70679%0.788SS**  trans69.1115.3142.4-84.9-8.9000124.4
995Y30Very low30Very low218 Ų218150.3 Ų150.386%0.85579%0.79SS**  trans65.9109.5140.9-79-93.5000121.7
996G29.7Very low30Very low69 Ų69149 Ų14971%0.71178%0.784SS**  105.582.1105.900000119.5
997K30.1Very low30.1Very low193 Ų193151 Ų15184%0.83979%0.789SS**  trans12.9121.4134.1-79.3179.1-179.1171.70118.7
998R28.8Very low30.3Very low228 Ų228151.1 Ų151.186%0.8678%0.784SS**  149.7124.6104.6-100.4165.5178.8172.4-0.3113.8
999N28.2Very low30.2Very low140 Ų140149.4 Ų149.475%0.74979%0.785SS**  25.2137.2128.1-83.6-2.9000122.3
1000R29.1Very low29.6Very low211 Ų211148.4 Ų148.480%0.79679%0.785SS**  trans92.4122.3132.7-85.4179.5173.1163.1-0.1120.3
1001H27.9Very low29.8Very low160 Ų160147.7 Ų147.774%0.74178%0.782SS**  trans74.5128.1136-81.8-59.5000121.5
1002S26.2Very low29.9Very low97 Ų97150.6 Ų150.668%0.67878%0.784SS**  84.9121.4127.357.90000120.9
1003S30.5Very low29.8Very low99 Ų99150 Ų15069%0.69279%0.785SS**  trans70.2123.7133.252.70000121.1
1004Q31.5Very low29.6Very low186 Ų186145.8 Ų145.887%0.86978%0.779SS**  47.2128.2128.2-69.8179.6-19.200120
1005T30.3Very low29.5Very low132 Ų132144.8 Ų144.881%0.8178%0.782SS**  trans-174.8108.4130.240.80000106.5
1006S30.9Very low29.4Very low97 Ų97140.1 Ų140.168%0.67878%0.781SS**  68.3120.992.168.70000113.5
1007E29.3Very low29.3Very low197 Ų197141.3 Ų141.392%0.92178%0.779SS**  -177.4154.198-96.6179.6-177.700112
1008E32.8Very low29.2Very low178 Ų178136.8 Ų136.883%0.83277%0.772SS**  trans-100.3156.3-162.4177.8-179.8-160.200110.1
1009S29Very low29.2Very low121 Ų121131.3 Ų131.385%0.84676%0.764SS**  trans-175124.2137.2-79.30000111.8
1010A30.5Very low29.1Very low85 Ų85135.5 Ų135.570%0.70277%0.77SS**  trans-60.1168.5173.400000112.8
1011I31.3Very low29.1Very low150 Ų150129.4 Ų129.477%0.76977%0.765SS**  -168.8119.278.6-76.2155.4000108.6
1012E29.3Very low29.2Very low167 Ų167131.5 Ų131.578%0.7877%0.772SS**  41.9116.1117.7-118177.5-155.100120.4
1013T29.2Very low29.2Very low134 Ų134137.3 Ų137.382%0.82278%0.779SS**  155.2138.3103.843.70000112.8
1014G27.2Very low29.2Very low67 Ų67141.4 Ų141.469%0.69179%0.787SS**  trans104.576.313000000119.4
1015S27.4Very low29Very low112 Ų112135.9 Ų135.978%0.78378%0.78SS**  56.5128117.8-57.50000122.4
1016S28.9Very low29.1Very low120 Ų120138.4 Ų138.484%0.83978%0.783SS**  trans76.3149.3137.1-57.60000117.2
1017S27.1Very low29.1Very low94 Ų94141 Ų14166%0.65780%0.795SS**  cis172.7134.2-8.7154.40000103.9
1018S28.5Very low29.1Very low98 Ų98138.8 Ų138.869%0.68579%0.789SS**  trans66.2159.1154.586.30000116.1
1019T29.2Very low29.1Very low113 Ų113138 Ų13869%0.69379%0.785SS**  cis-169.7144.714.17.70000106.7
1020Y26Very low29.1Very low227 Ų227138.4 Ų138.489%0.8978%0.778SS**  trans50.6126.3140.2-84.6-94000124.7
1021A28.2Very low29.1Very low84 Ų84141.1 Ų141.169%0.69478%0.779SS**  104.311312100000122.3
1022K29Very low29.1Very low204 Ų204139.7 Ų139.789%0.88778%0.777SS**  trans44.6123.8130.2-81.5-175.5171.8-177.70122
1023R27.9Very low29Very low219 Ų219140.2 Ų140.283%0.82679%0.785SS**  175.2127115.6-99.2176.3175.5153.80.3109.6
1024E29.5Very low29.2Very low184 Ų184140.3 Ų140.386%0.8678%0.78SS**  50.8128.396.9-68.9177.4175.700113.2
1025G28.6Very low29.4Very low70 Ų70142.9 Ų142.972%0.72278%0.777SS**  cis179-1796.300000110.9
1026E31.8Very low29.6Very low185 Ų185146.9 Ų146.986%0.86478%0.784SS**  trans64.1122.2156.9-59.9-176.8166.900121.2
1027T30.8Very low29.6Very low152 Ų152148.3 Ų148.393%0.93378%0.779SS**  179.8155.710830.40000112.5
1028L29.6Very low29.6Very low151 Ų151148.7 Ų148.779%0.79178%0.781SS**  trans-104.5172-165.2-151.889.3000111.1
1029E33.1Very low29.7Very low162 Ų162151.3 Ų151.376%0.75779%0.786SS**  trans86.7133.5163.1-60174.9-177.500115.7
1030D27.7Very low29.5Very low129 Ų129152.3 Ų152.369%0.6979%0.787SS**  cis-157.5140.823.3-93.8-34.3000109.3
1031I32.1Very low29.6Very low141 Ų141146.9 Ų146.972%0.72378%0.781SS**  71.6102.982.6-64.6178.6000116.6
1032T30.4Very low29.7Very low120 Ų120147.9 Ų147.974%0.73678%0.783SS**  trans66127.9142.762.70000123.8
1033L28.1Very low29.7Very low178 Ų178144.7 Ų144.793%0.93278%0.776SS**  trans-152116.7131.6-113.8151.3000110.8
1034L33Very low29.9Very low137 Ų137141.5 Ų141.572%0.71777%0.774SS**  trans-61.3170.4158.5-74.4138.5000109.7
1035D31.4Very low29.9Very low120 Ų120139.2 Ų139.264%0.64277%0.772SS**  cis-170.3148.810.4-131.7-21.1000105.4
1036E30Very low30.1Very low196 Ų196143.7 Ų143.792%0.91678%0.775SS**  trans-161.695.9137.7-118.9-174.5-178.500111
1037M29.6Very low30Very low151 Ų151141.6 Ų141.674%0.74477%0.769SS**  trans-11.2159.8138-70.6168.937.300117.8
1038C28Very low29.9Very low102 Ų102138.7 Ų138.769%0.68976%0.755SS**  cis178.1177.2-9.5-103.20000105.7
1039L29.3Very low29.9Very low153 Ų153141.3 Ų141.380%0.80176%0.761SS**  trans88.3134.3162.2-53.3162.5000115.9
1040D26.1Very low29.9Very low133 Ų133145.4 Ų145.471%0.71179%0.786SS**  cis-174.2125.4-15.6-113.2-16000103.2
1041C28.3Very low30Very low113 Ų113146.3 Ų146.376%0.76479%0.791SS**  58.1144.989.6-800000117.8
1042S28.8Very low29.9Very low106 Ų106146.5 Ų146.574%0.74180%0.795SS**  trans79.3139.3164.262.60000118.1
1043D29.7Very low29.9Very low136 Ų136148 Ų14873%0.72780%0.798SS**  cis-1661427.6-101.3-16.3000109.1
1044L31.7Very low30Very low152 Ų152146.2 Ų146.280%0.79679%0.79SS**  45.5128.8109.7-68.7164.6000117.4
1045V29.3Very low29.8Very low136 Ų136146.8 Ų146.882%0.82480%0.795SS**  173141.5112.81640000110.8
1046E32.9Very low29.7Very low165 Ų165148.6 Ų148.677%0.77181%0.805SS**  trans-51.4153.8172.2-63.9161.413600114.5
1047D29.2Very low29.7Very low141 Ų141145.2 Ų145.275%0.75480%0.797SS**  167.5141.897.1-118.2-33.2000115
1048S29.7Very low29.7Very low90 Ų90144.8 Ų144.863%0.62980%0.801SS**  trans75.3114.1136.9-65.20000124.1
1049F29.9Very low29.8Very low207 Ų207148.3 Ų148.391%0.90881%0.81SS**  trans44.7108.2138.9-78.3-89.1000121.6
1050L32.9Very low29.9Very low248 Ų248147.9 Ų147.9100%1.29881%0.811SS**  -161.10120.1-106.9165.3000110.7

Retrieved 1,050 of 1,050 residues in 1050.5 ms (Link to these results)

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