A0A077Z0B6_TRITR Loading...

Protein quiver

AlphaFold DB , UniProt , Accession A0A077Z0B6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 160 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
1M57.2Low72.2Confident224 Ų224141.4 Ų141.4100%1.10366%0.664SS**  0-7.10-129.7-178-65.500114
2M56.9Low72.6Confident171 Ų171136.1 Ų136.184%0.84264%0.642SS**Hα-helixtrans-87.9-15.1-176.2-73.1168.785.600115.8T5M2-T5 PolarHBondContact O-OG1 2.87Å
3E68.2Low72.7Confident157 Ų157134.2 Ų134.273%0.73464%0.637SS**Hα-helixtrans-78.7-37.6-179.8-82.4176.9135.500113.6T5 H6 W7E3-T5 VanDerWaalsContact C-N 3.32Å; E3-T5 PolarHBondContact O-N 3Å; E3-H6 PolarHBondContact O-N 3.46Å; E3-W7 VanDerWaalsContact O-CD1 3.29Å; E3-W7 PolarHBondContact O-N 3.35Å
4V71.6Confident72.6Confident106 Ų106131.3 Ų131.364%0.64263%0.627SS**Hα-helixtrans-65-37-175.2-176.50000111.4H6 F8V4-H6 VanDerWaalsContact C-N 3.33Å; V4-H6 PolarHBondContact O-N 3.4Å; V4-F8 WeakPolarHBondContact O-CB 3.36Å; V4-F8 PolarHBondContact O-N 3.17Å
5T73.7Confident72.3Confident89 Ų89127.7 Ų127.755%0.54661%0.61SS.*Hα-helixtrans-68.3-30.3179.550.20000113.1M2 E3 R9M2-T5 PolarHBondContact O-OG1 2.87Å; E3-T5 VanDerWaalsContact C-N 3.32Å; E3-T5 PolarHBondContact O-N 3Å; T5-R9 WeakPolarHBondContact O-CB 3.29Å; T5-R9 WeakPolarHBondContact O-CG 3.4Å; T5-R9 PolarHBondContact O-N 3.11Å; T5-R9 VanDerWaalsContact O-N 3.1Å
6H74.9Confident71.5Confident126 Ų126126.1 Ų126.158%0.58361%0.606SS**Hα-helixtrans-71.2-50.8177.6-170-88.8000110.7E3 V4 F8 R9 T10E3-H6 PolarHBondContact O-N 3.46Å; V4-H6 VanDerWaalsContact C-N 3.33Å; V4-H6 PolarHBondContact O-N 3.4Å; H6-F8 VanDerWaalsContact C-N 3.28Å; H6-F8 PolarHBondContact O-N 3.06Å; H6-R9 PolarHBondContact O-N 3.42Å; H6-R9 VanDerWaalsContact O-N 3.17Å; H6-T10 PolarHBondContact O-N 3.43Å; H6-T10 PolarHBondContact O-OG1 3.24Å
7W74.3Confident71Confident189 Ų189125.8 Ų125.872%0.71661%0.607SS**Hα-helixtrans-57.3-41.4175.8-74.9104.7000112.3E3 T10 F11E3-W7 VanDerWaalsContact O-CD1 3.29Å; E3-W7 PolarHBondContact O-N 3.35Å; W7-T10 PolarHBondContact O-N 3.3Å; W7-F11 VanDerWaalsContact O-CB 3.24Å; W7-F11 WeakPolarHBondContact O-CB 3.33Å; W7-F11 PolarHBondContact O-N 3.47Å
8F77.1Confident70.3Confident132 Ų132125.3 Ų125.358%0.57961%0.607SS**Hα-helixtrans-64.8-42.1178-144-96.5000112.2V4 H6 F11 I12V4-F8 WeakPolarHBondContact O-CB 3.36Å; V4-F8 PolarHBondContact O-N 3.17Å; H6-F8 VanDerWaalsContact C-N 3.28Å; H6-F8 PolarHBondContact O-N 3.06Å; F8-F11 PolarHBondContact O-N 3.31Å; F8-I12 HydrophobicContact CD1-CD1 3.57Å; F8-I12 HydrophobicContact CD1-CG1 4.27Å; F8-I12 HydrophobicContact CE1-CD1 3.81Å; F8-I12 HydrophobicContact CE1-CG1 4.44Å; F8-I12 VanDerWaalsContact O-CG1 3.27Å; F8-I12 WeakPolarHBondContact O-CG1 3.11Å; F8-I12 PolarHBondContact O-N 3.31Å
9R81.2Confident69.7Low191 Ų191125.5 Ų125.572%0.72161%0.61SS**Hα-helixtrans-63.9-46.5174.7-86.3-179.2152.1-157.7-5.2112.2T5 H6 F11 I12 L13T5-R9 WeakPolarHBondContact O-CB 3.29Å; T5-R9 WeakPolarHBondContact O-CG 3.4Å; T5-R9 PolarHBondContact O-N 3.11Å; T5-R9 VanDerWaalsContact O-N 3.1Å; H6-R9 PolarHBondContact O-N 3.42Å; H6-R9 VanDerWaalsContact O-N 3.17Å; R9-F11 VanDerWaalsContact C-N 3.3Å; R9-F11 PolarHBondContact O-N 3.17Å; R9-I12 PolarHBondContact O-N 2.96Å; R9-L13 WeakPolarHBondContact O-CB 3Å; R9-L13 VanDerWaalsContact O-CG 3.31Å; R9-L13 WeakPolarHBondContact O-CG 3.3Å; R9-L13 PolarHBondContact O-N 2.74Å
10T80.3Confident69.3Low51 Ų51124.5 Ų124.531%0.31361%0.612SS.*Hα-helixtrans-63.6-39.5178.7-45.20000110.9H6 W7 L13 L14H6-T10 PolarHBondContact O-N 3.43Å; H6-T10 PolarHBondContact O-OG1 3.24Å; W7-T10 PolarHBondContact O-N 3.3Å; T10-L13 PolarHBondContact O-N 3.19Å; T10-L14 HydrophobicContact CG2-CD1 4.08Å; T10-L14 WeakPolarHBondContact O-CB 3.4Å; T10-L14 WeakPolarHBondContact O-CG 3.13Å; T10-L14 PolarHBondContact O-N 2.94Å
11F79Confident69.4Low119 Ų119126.3 Ų126.352%0.52262%0.619SS.*Hα-helixtrans-63.9-47.2175.1-174.8-99.2000112W7 F8 R9 L13 L14 M15W7-F11 VanDerWaalsContact O-CB 3.24Å; W7-F11 WeakPolarHBondContact O-CB 3.33Å; W7-F11 PolarHBondContact O-N 3.47Å; F8-F11 PolarHBondContact O-N 3.31Å; R9-F11 VanDerWaalsContact C-N 3.3Å; R9-F11 PolarHBondContact O-N 3.17Å; F11-L13 VanDerWaalsContact C-N 3.31Å; F11-L13 PolarHBondContact O-N 2.81Å; F11-L14 PolarHBondContact O-N 3.26Å; F11-M15 HydrophobicContact CD1-CG 3.93Å; F11-M15 HydrophobicContact CD2-CG 4.47Å; F11-M15 HydrophobicContact CE1-CG 3.6Å; F11-M15 HydrophobicContact CE1-SD 4.24Å; F11-M15 HydrophobicContact CE2-CG 4.17Å; F11-M15 HydrophobicContact CE2-SD 4.18Å; F11-M15 HydrophobicContact CG-CG 4.36Å; F11-M15 HydrophobicContact CZ-CE 4.34Å; F11-M15 HydrophobicContact CZ-CG 3.73Å; F11-M15 HydrophobicContact CZ-SD 3.79Å; F11-M15 WeakPolarHBondContact O-CB 3.36Å; F11-M15 WeakPolarHBondContact O-CG 3.25Å; F11-M15 PolarHBondContact O-N 3.39Å
12I77.3Confident70.8Confident78 Ų78118.8 Ų118.840%0.459%0.586SS.*Hα-helixtrans-59.9-42.3175.6-69.8168.1000111F8 R9 M15 N16F8-I12 HydrophobicContact CD1-CD1 3.57Å; F8-I12 HydrophobicContact CD1-CG1 4.27Å; F8-I12 HydrophobicContact CE1-CD1 3.81Å; F8-I12 HydrophobicContact CE1-CG1 4.44Å; F8-I12 VanDerWaalsContact O-CG1 3.27Å; F8-I12 WeakPolarHBondContact O-CG1 3.11Å; F8-I12 PolarHBondContact O-N 3.31Å; R9-I12 PolarHBondContact O-N 2.96Å; I12-M15 PolarHBondContact O-N 3.34Å; I12-N16 VanDerWaalsContact CG2-ND2 3.32Å; I12-N16 WeakPolarHBondContact CG2-ND2 3.23Å; I12-N16 WeakPolarHBondContact O-CB 3.36Å; I12-N16 PolarHBondContact O-N 2.99Å; I12-N16 PolarHBondContact O-ND2 3.49Å
13L73.3Confident72.4Confident111 Ų111111.8 Ų111.858%0.58155%0.552SS**Hα-helixtrans-64.7-45177.4-72.1170000111.7R9 T10 F11 N16 I17R9-L13 WeakPolarHBondContact O-CB 3Å; R9-L13 VanDerWaalsContact O-CG 3.31Å; R9-L13 WeakPolarHBondContact O-CG 3.3Å; R9-L13 PolarHBondContact O-N 2.74Å; T10-L13 PolarHBondContact O-N 3.19Å; F11-L13 VanDerWaalsContact C-N 3.31Å; F11-L13 PolarHBondContact O-N 2.81Å; L13-N16 PolarHBondContact O-N 3.39Å; L13-I17 WeakPolarHBondContact O-CD1 3.25Å; L13-I17 VanDerWaalsContact O-CG1 3.24Å; L13-I17 WeakPolarHBondContact O-CG1 3.27Å; L13-I17 PolarHBondContact O-N 3.42Å
14L71.3Confident73.6Confident94 Ų94107 Ų10749%0.49253%0.529SS..Hα-helixtrans-61.2-44.1175.2-80.2162.5000111.8T10 F11 I17 I18T10-L14 HydrophobicContact CG2-CD1 4.08Å; T10-L14 WeakPolarHBondContact O-CB 3.4Å; T10-L14 WeakPolarHBondContact O-CG 3.13Å; T10-L14 PolarHBondContact O-N 2.94Å; F11-L14 PolarHBondContact O-N 3.26Å; L14-I17 PolarHBondContact O-N 3.39Å; L14-I18 WeakPolarHBondContact O-CD1 3.34Å; L14-I18 VanDerWaalsContact O-CG1 3.24Å; L14-I18 WeakPolarHBondContact O-CG1 3.49Å; L14-I18 PolarHBondContact O-N 3.32Å
15M67.6Low74.6Confident77 Ų77102 Ų10238%0.37950%0.498SS..Hα-helixtrans-63.7-42.2177.3-68.5-63.6-77.500111.4F11 I12 I17 I18 L19F11-M15 HydrophobicContact CD1-CG 3.93Å; F11-M15 HydrophobicContact CD2-CG 4.47Å; F11-M15 HydrophobicContact CE1-CG 3.6Å; F11-M15 HydrophobicContact CE1-SD 4.24Å; F11-M15 HydrophobicContact CE2-CG 4.17Å; F11-M15 HydrophobicContact CE2-SD 4.18Å; F11-M15 HydrophobicContact CG-CG 4.36Å; F11-M15 HydrophobicContact CZ-CE 4.34Å; F11-M15 HydrophobicContact CZ-CG 3.73Å; F11-M15 HydrophobicContact CZ-SD 3.79Å; F11-M15 WeakPolarHBondContact O-CB 3.36Å; F11-M15 WeakPolarHBondContact O-CG 3.25Å; F11-M15 PolarHBondContact O-N 3.39Å; I12-M15 PolarHBondContact O-N 3.34Å; M15-I17 VanDerWaalsContact C-N 3.31Å; M15-I17 PolarHBondContact O-N 2.99Å; M15-I18 PolarHBondContact O-N 2.9Å; M15-L19 HydrophobicContact CB-CD1 4.48Å; M15-L19 WeakPolarHBondContact O-CB 3.43Å; M15-L19 WeakPolarHBondContact O-CD1 3.22Å; M15-L19 PolarHBondContact O-N 2.77Å
16N60.8Low75.6Confident102 Ų10298.6 Ų98.655%0.54548%0.477SS..Hα-helixtrans-63.8-34.8175.1-79.3-64.2000112.7I12 L13I12-N16 VanDerWaalsContact CG2-ND2 3.32Å; I12-N16 WeakPolarHBondContact CG2-ND2 3.23Å; I12-N16 WeakPolarHBondContact O-CB 3.36Å; I12-N16 PolarHBondContact O-N 2.99Å; I12-N16 PolarHBondContact O-ND2 3.49Å; L13-N16 PolarHBondContact O-N 3.39Å
17I62.1Low76.4Confident121 Ų12193 Ų9362%0.62145%0.451SS*.Hα-helixtrans-69.8-36.6175-66.9162.7000111.1L13 L14 M15 T20L13-I17 WeakPolarHBondContact O-CD1 3.25Å; L13-I17 VanDerWaalsContact O-CG1 3.24Å; L13-I17 WeakPolarHBondContact O-CG1 3.27Å; L13-I17 PolarHBondContact O-N 3.42Å; L14-I17 PolarHBondContact O-N 3.39Å; M15-I17 VanDerWaalsContact C-N 3.31Å; M15-I17 PolarHBondContact O-N 2.99Å; I17-T20 PolarHBondContact O-OG1 2.84Å
18I58.9Low77Confident117 Ų11784 Ų8460%0.642%0.417SS*.Hα-helixtrans-73.9-28.6179.6-66.5163.4000111.8L14 M15 T20L14-I18 WeakPolarHBondContact O-CD1 3.34Å; L14-I18 VanDerWaalsContact O-CG1 3.24Å; L14-I18 WeakPolarHBondContact O-CG1 3.49Å; L14-I18 PolarHBondContact O-N 3.32Å; M15-I18 PolarHBondContact O-N 2.9Å; I18-T20 PolarHBondContact O-N 2.7Å
19L58.1Low77.5Confident129 Ų12978.8 Ų78.868%0.67540%0.397SS*.THydrogen-bonded Turntrans-81.4-3.9-174.2-98.4121.4000115.7M15 E21M15-L19 HydrophobicContact CB-CD1 4.48Å; M15-L19 WeakPolarHBondContact O-CB 3.43Å; M15-L19 WeakPolarHBondContact O-CD1 3.22Å; M15-L19 PolarHBondContact O-N 2.77Å; L19-E21 PolarHBondContact O-N 2.75Å; L19-E21 VanDerWaalsContact O-N 3.1Å
20T63.1Low77.3Confident105 Ų10573.8 Ų73.864%0.64438%0.383SS*.  trans-86.565.5172.361.10000110.6I17 I18 V22I17-T20 PolarHBondContact O-OG1 2.84Å; I18-T20 PolarHBondContact O-N 2.7Å; T20-V22 PolarHBondContact O-N 2.84Å
21E71.3Confident76.7Confident164 Ų16479.1 Ų79.177%0.76640%0.398SS*.  trans-67.7112.3163.9-71.5-162.9176.400108.2L19L19-E21 PolarHBondContact O-N 2.75Å; L19-E21 VanDerWaalsContact O-N 3.1Å
22V85.3Confident75.7Confident66 Ų6682.7 Ų82.740%0.442%0.416SS..  trans-75.5130.6173.9-179.50000108.2T20 K24 E62 C63T20-V22 PolarHBondContact O-N 2.84Å; V22-K24 PolarHBondContact O-N 3.4Å; V22-E62 HydrophobicContact CG1-CB 4.09Å; V22-C63 WeakPolarHBondContact CG1-O 3.17Å
23L91.2Very high74.6Confident24 Ų2483 Ų8313%0.12644%0.439CS..  trans-61.9134.4177178.768.6000110.1C63 D68 A69L23-C63 HydrophobicContact CB-CB 4.1Å; L23-C63 HydrophobicContact CG-CB 4.47Å; L23-C63 VanDerWaalsContact O-CB 3.25Å; L23-C63 WeakPolarHBondContact O-CB 3.32Å; L23-C63 PolarHBondContact O-N 2.86Å; L23-C63 PolarHBondContact O-SG 3.23Å; L23-C63 VanDerWaalsContact O-SG 3.39Å; L23-D68 WeakPolarHBondContact CD2-O 3.47Å; L23-A69 VanDerWaalsContact CD2-N 3.34Å
24K93Very high73.8Confident57 Ų5783 Ų8325%0.24844%0.438CS..EExtended strand (participates in β ladder)trans-114.5133.5177.5-61-174.8162.3-153.50111.2V22 E60 I61 E62 N133 N134V22-K24 PolarHBondContact O-N 3.4Å; K24-E60 HydrophobicContact CB-CG 4.19Å; K24-E60 HydrophobicContact CD-CG 4.36Å; K24-E60 WeakPolarHBondContact CD-OE1 3.36Å; K24-E60 IonicContact NZ-OE1 3.48Å; K24-E60 PolarHBondContact NZ-OE1 3.22Å; K24-I61 CarbonylContact C-O 3.59Å; K24-I61 VanDerWaalsContact CA-O 3.31Å; K24-I61 WeakPolarHBondContact CA-O 3.34Å; K24-E62 WeakPolarHBondContact CE-OE1 3.36Å; K24-E62 HydrophobicContact CG-CG 4.36Å; K24-E62 IonicContact NZ-OE1 3.52Å; K24-N133 HydrophobicContact CB-CB 4.48Å; K24-N133 PolarHBondContact N-OD1 3.11Å; K24-N133 CarbonylContact O-C 3.48Å; K24-N133 WeakPolarHBondContact O-CA 3.21Å; K24-N134 PolarHBondContact O-N 3.43Å
25C93.6Very high73.5Confident0 Ų080.4 Ų80.40%043%0.425CS..EExtended strand (participates in β ladder)trans-127.4158.8179-600000111.4I61 C63 C70C25-I61 PolarHBondContact N-O 2.92Å; C25-I61 VanDerWaalsContact O-CG1 3.28Å; C25-I61 WeakPolarHBondContact O-CG1 3.33Å; C25-I61 PolarHBondContact O-N 2.93Å; C25-C63 PolarHBondContact SG-SG 3.15Å; C25-C70 VanDerWaalsContact CA-SG 3.55Å; C25-C70 HydrophobicContact CB-CB 3.86Å; C25-C70 WeakPolarHBondContact CB-SG 3.19Å; C25-C70 WeakPolarHBondContact SG-CA 3.24Å; C25-C70 WeakPolarHBondContact SG-CB 3.02Å; C25-C70 CovalentContact SG-SG 2.02Å; C25-C70 PolarHBondContact SG-SG 3.18Å
26N93Very high73.6Confident18 Ų1883 Ų8310%0.09644%0.436CS..EExtended strand (participates in β ladder)trans-93.3138.1173.5-70.8-83.1000111.3H58 E59 K87 N134 N136 A137N26-H58 HydrophobicContact CB-CB 4.33Å; N26-E59 CarbonylContact C-O 3.59Å; N26-E59 WeakPolarHBondContact CA-O 3.47Å; N26-K87 WeakPolarHBondContact O-CB 3.36Å; N26-N134 VanDerWaalsContact ND2-CA 3.32Å; N26-N134 WeakPolarHBondContact ND2-CA 3.44Å; N26-N134 WeakPolarHBondContact ND2-CB 3.2Å; N26-N134 PolarHBondContact ND2-O 3.1Å; N26-N134 PolarHBondContact ND2-OD1 3.43Å; N26-N136 WeakPolarHBondContact CB-OD1 3.37Å; N26-N136 PolarHBondContact N-OD1 2.94Å; N26-N136 PolarHBondContact O-ND2 2.82Å; N26-A137 WeakPolarHBondContact ND2-CB 3.37Å
27I91.7Very high74.3Confident8 Ų879.7 Ų79.74%0.04142%0.423CS..EExtended strand (participates in β ladder)trans-113.5173.7164.265-180000109.8R44 H58 E59 I61 K87I27-R44 HydrophobicContact CB-CB 4.1Å; I27-R44 HydrophobicContact CG2-CB 4.33Å; I27-H58 WeakPolarHBondContact O-CA 3.31Å; I27-H58 PolarHBondContact O-ND1 2.86Å; I27-E59 HydrophobicContact CD1-CB 4.4Å; I27-E59 HydrophobicContact CG1-CB 3.8Å; I27-E59 PolarHBondContact N-O 2.85Å; I27-E59 PolarHBondContact O-N 2.8Å; I27-I61 HydrophobicContact CD1-CG2 3.61Å; I27-I61 HydrophobicContact CG1-CG2 4.11Å; I27-I61 HydrophobicContact CG2-CD1 3.48Å; I27-I61 VanDerWaalsContact CG2-CD1 3.48Å; I27-I61 HydrophobicContact CG2-CG1 3.91Å; I27-K87 WeakPolarHBondContact CG2-O 3.32Å
28C88.5Confident75Confident0 Ų076.3 Ų76.30%041%0.408CS..EExtended strand (participates in β ladder)trans-88.2130.5176.2-690000110.9R44 V46 C54C28-R44 WeakPolarHBondContact O-CD 3.29Å; C28-R44 PolarHBondContact O-NH1 3.22Å; C28-V46 HydrophobicContact CB-CG2 3.76Å; C28-C54 HydrophobicContact CB-CB 3.51Å; C28-C54 WeakPolarHBondContact CB-SG 3.07Å; C28-C54 WeakPolarHBondContact SG-CB 3.09Å; C28-C54 CovalentContact SG-SG 1.99Å; C28-C54 PolarHBondContact SG-SG 2.05Å
29S87Confident75.7Confident23 Ų2375 Ų7516%0.16141%0.405CS..PPolyproline II helixtrans-67.1138.2175.758.30000111.4G56 G57 E59S29-G56 PolarHBondContact OG-O 2.89Å; S29-G57 PolarHBondContact N-O 2.86Å; S29-G57 VanDerWaalsContact N-O 3.11Å; S29-G57 WeakPolarHBondContact OG-CA 3.27Å; S29-G57 PolarHBondContact OG-N 2.85Å; S29-G57 PolarHBondContact OG-O 2.82Å; S29-E59 WeakPolarHBondContact CA-OE1 3.29Å; S29-E59 WeakPolarHBondContact CB-OE1 2.88Å
30I76.7Confident76.5Confident85 Ų8571.9 Ų71.944%0.43639%0.394SS..PPolyproline II helixtrans-87121.2177-59.9169.6000107.5A37 T39I30-A37 HydrophobicContact CD1-CB 3.76Å; I30-A37 HydrophobicContact CG1-CB 3.76Å; I30-T39 HydrophobicContact CD1-CG2 4.38Å
31R68Low77.1Confident163 Ų16373 Ų7362%0.61540%0.396SS*.PPolyproline II helixtrans-99.5135161.7-74-174.2178.7-166.8-1.4108.2G33R31-G33 PolarHBondContact O-N 3.21Å
32E58.3Low78Confident194 Ų19467.2 Ų67.291%0.90737%0.371SS*.THydrogen-bonded Turntrans-52.5125.1175.4-68-177.7165.500110.6
33G54.2Low78.1Confident86 Ų8666.2 Ų66.289%0.88736%0.363SS*.THydrogen-bonded Turntrans92.33.9161.800000119.2R31R31-G33 PolarHBondContact O-N 3.21Å
34I56.8Low78Confident110 Ų11066.6 Ų66.656%0.56436%0.363SS*.THydrogen-bonded Turntrans-112.2-41.9-178.1-55.1-178.5000113.6
35D65.1Low77.8Confident40 Ų4065.4 Ų65.421%0.21436%0.359CS..SBendtrans-128.9133.7-174.9-51.6-45.9000109.8A37 V46 L49D35-A37 PolarHBondContact O-N 1.99Å; D35-V46 HydrophobicContact CB-CG1 3.32Å; D35-L49 HydrophobicContact CB-CD2 4.49Å; D35-L49 WeakPolarHBondContact OD2-CD2 3.4Å
36Q69.2Low77.5Confident130 Ų13065.7 Ų65.761%0.60736%0.361SS*.  trans-71.2117169.4-66.6179.55.100107.7T47Q36-T47 WeakPolarHBondContact CB-OG1 3.48Å; Q36-T47 PolarHBondContact O-N 3.43Å; Q36-T47 PolarHBondContact O-OG1 2.77Å
37A74.7Confident77.2Confident33 Ų3365 Ų6527%0.27336%0.357SS..EExtended strand (participates in β ladder)trans-112.1125.1179.100000110.1I30 D35 R44 I45 V46I30-A37 HydrophobicContact CD1-CB 3.76Å; I30-A37 HydrophobicContact CG1-CB 3.76Å; D35-A37 PolarHBondContact O-N 1.99Å; A37-R44 HydrophobicContact CB-CG 4.45Å; A37-I45 CarbonylContact C-O 3.56Å; A37-I45 VanDerWaalsContact CA-O 3.22Å; A37-I45 WeakPolarHBondContact CA-O 3.41Å; A37-V46 HydrophobicContact CB-CG2 4.46Å
38V77.1Confident76.8Confident51 Ų5167 Ų6731%0.30937%0.368SS..EExtended strand (participates in β ladder)trans-107.3121.7174.3-178.50000107.3I45 L115V38-I45 HydrophobicContact CB-CB 4.44Å; V38-I45 PolarHBondContact N-O 3.35Å; V38-I45 PolarHBondContact O-N 3.36Å; V38-L115 HydrophobicContact CB-CD1 4.35Å; V38-L115 HydrophobicContact CG1-CD1 4.07Å; V38-L115 HydrophobicContact CG2-CD1 3.59Å; V38-L115 HydrophobicContact CG2-CD2 4.42Å
39T74.2Confident76.6Confident89 Ų8967.1 Ų67.155%0.54637%0.368SS..EExtended strand (participates in β ladder)trans-104.2124.2177.552.80000110I30 L43 R44I30-T39 HydrophobicContact CD1-CG2 4.38Å; T39-L43 WeakPolarHBondContact CA-O 3.49Å; T39-R44 HydrophobicContact CG2-CB 4.35Å; T39-R44 HydrophobicContact CG2-CG 3.93Å
40S74.7Confident76.6Confident63 Ų6375.6 Ų75.644%0.44140%0.397SS..EExtended strand (participates in β ladder)trans-111.2167.8163.1-1740000108N42 L43S40-N42 PolarHBondContact O-N 3.34Å; S40-L43 PolarHBondContact N-O 3.23Å; S40-L43 CarbonylContact O-C 3.48Å; S40-L43 PolarHBondContact O-N 3.19Å
41D76.5Confident77Confident128 Ų12877.8 Ų77.868%0.68440%0.4SS*.THydrogen-bonded Turntrans-47.2106.8-173.1-68.4-29.5000112.2L43 Q67D41-L43 PolarHBondContact O-N 2.83Å; D41-L43 VanDerWaalsContact O-N 3.1Å; D41-Q67 PolarHBondContact O-NE2 3.3Å; D41-Q67 VanDerWaalsContact O-NE2 3.11Å
42N89.3Confident77.9Confident43 Ų4372.5 Ų72.523%0.2339%0.386CS..THydrogen-bonded Turntrans56.617-176.7-64.2-26.1000115.9S40 I61 E62 N64 Q67 G88 C89S40-N42 PolarHBondContact O-N 3.34Å; N42-I61 HydrophobicContact CB-CD1 3.61Å; N42-I61 WeakPolarHBondContact O-CD1 3.05Å; N42-E62 PolarHBondContact ND2-O 3.06Å; N42-E62 VanDerWaalsContact ND2-O 3.13Å; N42-N64 VanDerWaalsContact ND2-CG 3.35Å; N42-N64 PolarHBondContact ND2-ND2 3.11Å; N42-N64 PolarHBondContact ND2-OD1 3.15Å; N42-Q67 PolarHBondContact ND2-OE1 3.26Å; N42-G88 CarbonylContact O-C 3.6Å; N42-G88 WeakPolarHBondContact O-CA 3.09Å; N42-C89 HydrophobicContact CB-CB 3.71Å; N42-C89 PolarHBondContact O-N 2.02Å
43L87.3Confident79.2Confident45 Ų4566.5 Ų66.524%0.23636%0.356CS..EExtended strand (participates in β ladder)trans-125.6124.9175.8-179.369.5000110.2T39 S40 D41 I71 A86T39-L43 WeakPolarHBondContact CA-O 3.49Å; S40-L43 PolarHBondContact N-O 3.23Å; S40-L43 CarbonylContact O-C 3.48Å; S40-L43 PolarHBondContact O-N 3.19Å; D41-L43 PolarHBondContact O-N 2.83Å; D41-L43 VanDerWaalsContact O-N 3.1Å; L43-I71 HydrophobicContact CD1-CG2 3.63Å; L43-A86 HydrophobicContact CD1-CB 4.25Å
44R89.1Confident80.5Confident33 Ų3363 Ų6313%0.12532%0.317CS..EExtended strand (participates in β ladder)trans-116.3122.8177.4-171.5173.7-74.6166.92.6110.5I27 C28 A37 T39 V46 E59 A86 K87I27-R44 HydrophobicContact CB-CB 4.1Å; I27-R44 HydrophobicContact CG2-CB 4.33Å; C28-R44 WeakPolarHBondContact O-CD 3.29Å; C28-R44 PolarHBondContact O-NH1 3.22Å; A37-R44 HydrophobicContact CB-CG 4.45Å; T39-R44 HydrophobicContact CG2-CB 4.35Å; T39-R44 HydrophobicContact CG2-CG 3.93Å; R44-V46 HydrophobicContact CG-CG2 4.3Å; R44-E59 IonicContact CZ-OE2 3.59Å; R44-E59 IonicContact NH1-OE1 3.85Å; R44-E59 IonicContact NH1-OE2 2.75Å; R44-E59 PolarHBondContact NH1-OE2 2.88Å; R44-E59 IonicContact NH2-OE2 3.5Å; R44-A86 CarbonylContact O-C 3.54Å; R44-A86 WeakPolarHBondContact O-CA 3.26Å; R44-K87 PolarHBondContact N-O 2.78Å; R44-K87 PolarHBondContact O-N 3.21Å
45I88.3Confident81.6Confident32 Ų3264 Ų6416%0.16431%0.314CS..EExtended strand (participates in β ladder)trans-102.8123.3174.8-53.1175.8000107.4A37 V38 T47 L85 A86 F116A37-I45 CarbonylContact C-O 3.56Å; A37-I45 VanDerWaalsContact CA-O 3.22Å; A37-I45 WeakPolarHBondContact CA-O 3.41Å; V38-I45 HydrophobicContact CB-CB 4.44Å; V38-I45 PolarHBondContact N-O 3.35Å; V38-I45 PolarHBondContact O-N 3.36Å; I45-T47 HydrophobicContact CG2-CG2 4.26Å; I45-L85 WeakPolarHBondContact CA-O 3.32Å; I45-A86 HydrophobicContact CG1-CB 3.88Å; I45-F116 HydrophobicContact CD1-CZ 4.4Å
46V87.8Confident82.2Confident6 Ų663.1 Ų63.14%0.03631%0.314CS..EExtended strand (participates in β ladder)trans-112.3119.4175.8-172.90000107.7C28 D35 A37 R44 L49 W84 L85C28-V46 HydrophobicContact CB-CG2 3.76Å; D35-V46 HydrophobicContact CB-CG1 3.32Å; A37-V46 HydrophobicContact CB-CG2 4.46Å; R44-V46 HydrophobicContact CG-CG2 4.3Å; V46-L49 HydrophobicContact CB-CD1 4.12Å; V46-L49 HydrophobicContact CB-CG 4.47Å; V46-L49 HydrophobicContact CG1-CD1 4.03Å; V46-L49 HydrophobicContact CG1-CD2 3.77Å; V46-L49 HydrophobicContact CG1-CG 3.89Å; V46-W84 CarbonylContact O-C 3.55Å; V46-W84 WeakPolarHBondContact O-CA 3.44Å; V46-L85 PolarHBondContact N-O 2.9Å; V46-L85 PolarHBondContact O-N 2.83Å
47T86.1Confident82.8Confident4 Ų458.3 Ų58.33%0.02530%0.299CS..EExtended strand (participates in β ladder)trans-100.2175.1179.166.20000110.7Q36 I45 L49 W84Q36-T47 WeakPolarHBondContact CB-OG1 3.48Å; Q36-T47 PolarHBondContact O-N 3.43Å; Q36-T47 PolarHBondContact O-OG1 2.77Å; I45-T47 HydrophobicContact CG2-CG2 4.26Å; T47-L49 PolarHBondContact O-N 2.8Å; T47-L49 VanDerWaalsContact O-N 3.15Å; T47-W84 HydrophobicContact CG2-CD2 3.72Å; T47-W84 HydrophobicContact CG2-CE3 4.11Å; T47-W84 HydrophobicContact CG2-CG 3.91Å; T47-W84 HydrophobicContact CG2-CZ2 4.29Å; T47-W84 HydrophobicContact CG2-CZ3 4.49Å
48D83.8Confident83.5Confident49 Ų4960.5 Ų60.526%0.26230%0.304SS..EExtended strand (participates in β ladder)trans60.421.2176.9-67.6-45.7000116.8K82D48-K82 HydrophobicContact CB-CD 4.1Å; D48-K82 VanDerWaalsContact OD1-CD 3.23Å; D48-K82 WeakPolarHBondContact OD1-CD 2.97Å; D48-K82 IonicContact OD1-NZ 2.7Å; D48-K82 PolarHBondContact OD1-NZ 3.47Å
49L84.8Confident84.1Confident2 Ų261.7 Ų61.71%0.0131%0.306CS..EExtended strand (participates in β ladder)trans-73.9135.4-179.7-64.1168.4000111.5D35 V46 T47 R51 Y83 L85D35-L49 HydrophobicContact CB-CD2 4.49Å; D35-L49 WeakPolarHBondContact OD2-CD2 3.4Å; V46-L49 HydrophobicContact CB-CD1 4.12Å; V46-L49 HydrophobicContact CB-CG 4.47Å; V46-L49 HydrophobicContact CG1-CD1 4.03Å; V46-L49 HydrophobicContact CG1-CD2 3.77Å; V46-L49 HydrophobicContact CG1-CG 3.89Å; T47-L49 PolarHBondContact O-N 2.8Å; T47-L49 VanDerWaalsContact O-N 3.15Å; L49-R51 VanDerWaalsContact CB-O 3.29Å; L49-R51 WeakPolarHBondContact CB-O 3.4Å; L49-R51 PolarHBondContact O-N 2.82Å; L49-Y83 VanDerWaalsContact CB-O 3.29Å; L49-Y83 WeakPolarHBondContact CB-O 3.39Å; L49-Y83 PolarHBondContact N-O 2.99Å; L49-Y83 PolarHBondContact O-N 2.74Å; L49-L85 HydrophobicContact CD1-CB 3.43Å; L49-L85 VanDerWaalsContact CD1-CB 3.43Å; L49-L85 HydrophobicContact CD1-CD2 4.12Å; L49-L85 HydrophobicContact CD1-CG 4.41Å
50R86.1Confident84.9Confident201 Ų20162.1 Ų62.176%0.75830%0.302SS*.SBendtrans-75.1-9.6169.9-64.4-172.4-177-177.9-0113.8
51R86.1Confident85.8Confident132 Ų13260.6 Ų60.650%0.49829%0.288SS..SBendtrans-146.3153.5-174.5-62.8-172.9-178.5165.50.1109.6L49 Y53L49-R51 VanDerWaalsContact CB-O 3.29Å; L49-R51 WeakPolarHBondContact CB-O 3.4Å; L49-R51 PolarHBondContact O-N 2.82Å; R51-Y53 HydrophobicContact CB-CD1 3.82Å; R51-Y53 HydrophobicContact CB-CE1 3.57Å; R51-Y53 HydrophobicContact CB-CG 4.5Å; R51-Y53 VanDerWaalsContact CD-CE1 3.48Å; R51-Y53 WeakPolarHBondContact CD-OH 3.42Å; R51-Y53 HydrophobicContact CG-CE1 4.1Å; R51-Y53 PolarHBondContact NH1-OH 2.88Å; R51-Y53 PolarHBondContact O-N 2.88Å
52P85.8Confident86.6Confident52 Ų5259.8 Ų59.834%0.33828%0.281SS..SBendtrans-76.731.7-177.533.1-38.2000113.9V74 Y83P52-V74 HydrophobicContact CB-CG1 3.58Å; P52-V74 HydrophobicContact CB-CG2 4.34Å; P52-Y83 HydrophobicContact CB-CD1 3.8Å; P52-Y83 HydrophobicContact CB-CE1 4.03Å; P52-Y83 HydrophobicContact CB-CG 4.28Å; P52-Y83 HydrophobicContact CG-CE1 4.36Å
53Y85.4Confident86.7Confident68 Ų6858 Ų5827%0.26727%0.272SS..SBendtrans-154.8158.6-178.665.7-96000111.9R51 R55 L140R51-Y53 HydrophobicContact CB-CD1 3.82Å; R51-Y53 HydrophobicContact CB-CE1 3.57Å; R51-Y53 HydrophobicContact CB-CG 4.5Å; R51-Y53 VanDerWaalsContact CD-CE1 3.48Å; R51-Y53 WeakPolarHBondContact CD-OH 3.42Å; R51-Y53 HydrophobicContact CG-CE1 4.1Å; R51-Y53 PolarHBondContact NH1-OH 2.88Å; R51-Y53 PolarHBondContact O-N 2.88Å; Y53-R55 HydrophobicContact CE2-CG 4.24Å; Y53-L140 HydrophobicContact CE1-CD2 4.29Å
54C83.1Confident86.7Confident11 Ų1160 Ų607%0.07428%0.282CS..  trans-85.7125.3-176.7-63.10000111.4C28 L85C28-C54 HydrophobicContact CB-CB 3.51Å; C28-C54 WeakPolarHBondContact CB-SG 3.07Å; C28-C54 WeakPolarHBondContact SG-CB 3.09Å; C28-C54 CovalentContact SG-SG 1.99Å; C28-C54 PolarHBondContact SG-SG 2.05Å; C54-L85 WeakPolarHBondContact SG-CD2 3.22Å
55R79.3Confident86.4Confident132 Ų13262.6 Ų62.650%0.49832%0.319SS..SBendtrans-80.6-27.8178.2-83.4-173.3-83.6167.9-1.6113.1Y53 G57Y53-R55 HydrophobicContact CE2-CG 4.24Å; R55-G57 PolarHBondContact O-N 2.78Å
56G76.7Confident86.2Confident21 Ų2170.6 Ų70.622%0.21635%0.349CS..SBendtrans-67.7-21.1-177.100000114.4S29S29-G56 PolarHBondContact OG-O 2.89Å
57G83.5Confident86.3Confident29 Ų2971.7 Ų71.730%0.29935%0.354SS..  trans116.2-171.6-170.100000112.4S29 R55S29-G57 PolarHBondContact N-O 2.86Å; S29-G57 VanDerWaalsContact N-O 3.11Å; S29-G57 WeakPolarHBondContact OG-CA 3.27Å; S29-G57 PolarHBondContact OG-N 2.85Å; S29-G57 PolarHBondContact OG-O 2.82Å; R55-G57 PolarHBondContact O-N 2.78Å
58H88Confident86.3Confident79 Ų7974.9 Ų74.937%0.36637%0.371SS..EExtended strand (participates in β ladder)trans-123.8141.1176.4-67.8-62.1000109.8N26 I27 K87N26-H58 HydrophobicContact CB-CB 4.33Å; I27-H58 WeakPolarHBondContact O-CA 3.31Å; I27-H58 PolarHBondContact O-ND1 2.86Å; H58-K87 PolarHBondContact CE1-NZ 3.32Å
59E89.9Confident86.6Confident76 Ų7672.6 Ų72.636%0.35536%0.358SS..EExtended strand (participates in β ladder)trans-111.9138172-75.3160.3-159.100108.2N26 I27 S29 R44N26-E59 CarbonylContact C-O 3.59Å; N26-E59 WeakPolarHBondContact CA-O 3.47Å; I27-E59 HydrophobicContact CD1-CB 4.4Å; I27-E59 HydrophobicContact CG1-CB 3.8Å; I27-E59 PolarHBondContact N-O 2.85Å; I27-E59 PolarHBondContact O-N 2.8Å; S29-E59 WeakPolarHBondContact CA-OE1 3.29Å; S29-E59 WeakPolarHBondContact CB-OE1 2.88Å; R44-E59 IonicContact CZ-OE2 3.59Å; R44-E59 IonicContact NH1-OE1 3.85Å; R44-E59 IonicContact NH1-OE2 2.75Å; R44-E59 PolarHBondContact NH1-OE2 2.88Å; R44-E59 IonicContact NH2-OE2 3.5Å
60E92.4Very high86.9Confident99 Ų9972.5 Ų72.546%0.46336%0.358SS..EExtended strand (participates in β ladder)trans-83.5138.3171.9-178.5177.7102.900109.4K24 N134K24-E60 HydrophobicContact CB-CG 4.19Å; K24-E60 HydrophobicContact CD-CG 4.36Å; K24-E60 WeakPolarHBondContact CD-OE1 3.36Å; K24-E60 IonicContact NZ-OE1 3.48Å; K24-E60 PolarHBondContact NZ-OE1 3.22Å; E60-N134 PolarHBondContact OE2-ND2 3.17Å
61I92.6Very high87Confident30 Ų3063.4 Ų63.415%0.15433%0.325CS..EExtended strand (participates in β ladder)trans-132.5153.9172.456.6161.2000111K24 C25 I27 N42K24-I61 CarbonylContact C-O 3.59Å; K24-I61 VanDerWaalsContact CA-O 3.31Å; K24-I61 WeakPolarHBondContact CA-O 3.34Å; C25-I61 PolarHBondContact N-O 2.92Å; C25-I61 VanDerWaalsContact O-CG1 3.28Å; C25-I61 WeakPolarHBondContact O-CG1 3.33Å; C25-I61 PolarHBondContact O-N 2.93Å; I27-I61 HydrophobicContact CD1-CG2 3.61Å; I27-I61 HydrophobicContact CG1-CG2 4.11Å; I27-I61 HydrophobicContact CG2-CD1 3.48Å; I27-I61 VanDerWaalsContact CG2-CD1 3.48Å; I27-I61 HydrophobicContact CG2-CG1 3.91Å; N42-I61 HydrophobicContact CB-CD1 3.61Å; N42-I61 WeakPolarHBondContact O-CD1 3.05Å
62E92.6Very high87.1Confident112 Ų11258.9 Ų58.952%0.52331%0.308SS..EExtended strand (participates in β ladder)trans-90.6130173.1-62.2-171167.300110V22 K24 N42V22-E62 HydrophobicContact CG1-CB 4.09Å; K24-E62 WeakPolarHBondContact CE-OE1 3.36Å; K24-E62 HydrophobicContact CG-CG 4.36Å; K24-E62 IonicContact NZ-OE1 3.52Å; N42-E62 PolarHBondContact ND2-O 3.06Å; N42-E62 VanDerWaalsContact ND2-O 3.13Å
63C91.2Very high87.2Confident6 Ų658.7 Ų58.74%0.04130%0.304CS..PPolyproline II helixtrans-76.9147.9175.9-60.30000110.8V22 L23 C25 Q67 C89V22-C63 WeakPolarHBondContact CG1-O 3.17Å; L23-C63 HydrophobicContact CB-CB 4.1Å; L23-C63 HydrophobicContact CG-CB 4.47Å; L23-C63 VanDerWaalsContact O-CB 3.25Å; L23-C63 WeakPolarHBondContact O-CB 3.32Å; L23-C63 PolarHBondContact O-N 2.86Å; L23-C63 PolarHBondContact O-SG 3.23Å; L23-C63 VanDerWaalsContact O-SG 3.39Å; C25-C63 PolarHBondContact SG-SG 3.15Å; C63-Q67 HydrophobicContact CB-CB 3.79Å; C63-Q67 WeakPolarHBondContact CB-O 3.5Å; C63-C89 WeakPolarHBondContact CA-SG 3.44Å; C63-C89 HydrophobicContact CB-CB 3.78Å; C63-C89 WeakPolarHBondContact CB-SG 3.39Å; C63-C89 WeakPolarHBondContact SG-CB 2.99Å; C63-C89 CovalentContact SG-SG 2.04Å; C63-C89 PolarHBondContact SG-SG 2.81Å
64N88.5Confident87.3Confident85 Ų8556.3 Ų56.346%0.45530%0.296SS..PPolyproline II helixtrans-74.5164.8176.1-65.4-22.1000110.4N42 Y66 Q67N42-N64 VanDerWaalsContact ND2-CG 3.35Å; N42-N64 PolarHBondContact ND2-ND2 3.11Å; N42-N64 PolarHBondContact ND2-OD1 3.15Å; N64-Y66 PolarHBondContact O-N 3.07Å; N64-Q67 WeakPolarHBondContact O-CB 3.48Å; N64-Q67 PolarHBondContact O-N 2.95Å
65G82.4Confident87.5Confident88 Ų8856.1 Ų56.191%0.90729%0.294SS*.THydrogen-bonded Turntrans-59.4-13.9-176.300000116.6
66Y84.9Confident87.7Confident200 Ų20053.2 Ų53.278%0.78428%0.284SS*.THydrogen-bonded Turntrans-99.6-2.1175.3-52.7-68.6000113.8N64 N91N64-Y66 PolarHBondContact O-N 3.07Å; Y66-N91 WeakPolarHBondContact O-CB 3.41Å; Y66-N91 PolarHBondContact O-ND2 3.41Å
67Q88.4Confident88Confident29 Ų2953 Ų5314%0.13628%0.278CS..  trans-106.996.5-178-70.3174.7-38.100108.6D41 N42 C63 N64 C89 T90D41-Q67 PolarHBondContact O-NE2 3.3Å; D41-Q67 VanDerWaalsContact O-NE2 3.11Å; N42-Q67 PolarHBondContact ND2-OE1 3.26Å; C63-Q67 HydrophobicContact CB-CB 3.79Å; C63-Q67 WeakPolarHBondContact CB-O 3.5Å; N64-Q67 WeakPolarHBondContact O-CB 3.48Å; N64-Q67 PolarHBondContact O-N 2.95Å; Q67-C89 HydrophobicContact CB-CB 3.92Å; Q67-C89 HydrophobicContact CG-CB 4.07Å; Q67-C89 VanDerWaalsContact OE1-CB 3.29Å; Q67-T90 CarbonylContact C-O 3.58Å; Q67-T90 VanDerWaalsContact CA-O 3.23Å; Q67-T90 WeakPolarHBondContact CA-O 3.15Å
68D87.3Confident87.8Confident72 Ų7255.5 Ų55.539%0.38528%0.284SS..  trans-983.1-176.764.9-21.5000113.3L23 T90 R92L23-D68 WeakPolarHBondContact CD2-O 3.47Å; D68-T90 PolarHBondContact N-O 2.92Å; D68-R92 WeakPolarHBondContact OD1-CB 3.22Å; D68-R92 PolarHBondContact OD1-N 2.84Å; D68-R92 WeakPolarHBondContact OD2-CB 3.28Å
69A89.1Confident87.4Confident0 Ų059 Ų590%031%0.305CS..EExtended strand (participates in β ladder)trans-141.6150.5179.900000113.3L23 C89 T90 I129 C130 E131L23-A69 VanDerWaalsContact CD2-N 3.34Å; A69-C89 CarbonylContact O-C 3.58Å; A69-T90 HydrophobicContact CB-CG2 3.97Å; A69-T90 PolarHBondContact N-O 3Å; A69-T90 PolarHBondContact O-N 2.68Å; A69-T90 VanDerWaalsContact O-O 3.08Å; A69-I129 HydrophobicContact CB-CG2 3.69Å; A69-C130 CarbonylContact C-O 3.54Å; A69-E131 HydrophobicContact CB-CG 4.38Å
70C90.8Very high86.8Confident0 Ų060.1 Ų60.10%031%0.311CS..EExtended strand (participates in β ladder)trans-91138.9165.1-56.60000110.4C25 G88 I129 C130 N136C25-C70 VanDerWaalsContact CA-SG 3.55Å; C25-C70 HydrophobicContact CB-CB 3.86Å; C25-C70 WeakPolarHBondContact CB-SG 3.19Å; C25-C70 WeakPolarHBondContact SG-CA 3.24Å; C25-C70 WeakPolarHBondContact SG-CB 3.02Å; C25-C70 CovalentContact SG-SG 2.02Å; C25-C70 PolarHBondContact SG-SG 3.18Å; C70-G88 CarbonylContact C-O 3.46Å; C70-G88 WeakPolarHBondContact CA-O 3.22Å; C70-I129 WeakPolarHBondContact O-CA 3.48Å; C70-C130 PolarHBondContact N-O 2.86Å; C70-C130 PolarHBondContact O-N 3.38Å; C70-N136 HydrophobicContact CB-CB 3.81Å
71I88.6Confident86.3Confident11 Ų1157.3 Ų57.36%0.05631%0.308CS..EExtended strand (participates in β ladder)trans-115.5146.5175.7-169.7165.4000111.5L43 K87 G88 T90 M93 V127 C128 I129 N136L43-I71 HydrophobicContact CD1-CG2 3.63Å; I71-K87 WeakPolarHBondContact O-CA 3Å; I71-G88 PolarHBondContact N-O 2.88Å; I71-G88 PolarHBondContact O-N 3.4Å; I71-G88 VanDerWaalsContact O-N 3.17Å; I71-T90 HydrophobicContact CB-CG2 3.79Å; I71-T90 HydrophobicContact CD1-CG2 4.49Å; I71-T90 HydrophobicContact CG2-CG2 4.2Å; I71-M93 HydrophobicContact CD1-CE 4.34Å; I71-V127 HydrophobicContact CD1-CG1 4.12Å; I71-V127 HydrophobicContact CG1-CG1 4.34Å; I71-C128 CarbonylContact C-O 3.55Å; I71-C128 WeakPolarHBondContact CA-O 3.23Å; I71-I129 HydrophobicContact CG1-CG1 4.41Å; I71-N136 PolarHBondContact O-ND2 2.87Å; I71-N136 VanDerWaalsContact O-ND2 3.15Å
72K89.1Confident86Confident37 Ų3759 Ų5916%0.16131%0.314CS..EExtended strand (participates in β ladder)trans-135119163.1174.4-174.6177.2-172.90108.5L85 A86 K87 C128 N136 S138K72-L85 HydrophobicContact CG-CD1 4.07Å; K72-A86 CarbonylContact C-O 3.58Å; K72-A86 WeakPolarHBondContact CA-O 3.37Å; K72-K87 HydrophobicContact CB-CG 4.46Å; K72-K87 HydrophobicContact CG-CG 4.28Å; K72-C128 HydrophobicContact CB-CB 4.33Å; K72-C128 PolarHBondContact N-O 2.8Å; K72-C128 PolarHBondContact O-N 3.05Å; K72-N136 HydrophobicContact CB-CB 4.4Å; K72-S138 VanDerWaalsContact CD-OG 3.22Å; K72-S138 WeakPolarHBondContact CD-OG 3.32Å; K72-S138 PolarHBondContact NZ-OG 2.93Å
73M87.2Confident85.7Confident48 Ų4856.6 Ų56.624%0.23630%0.301CS..EExtended strand (participates in β ladder)trans-117.4127174.5179.4-175.5-66.200109.3V75 L85 A86 D126 V127M73-V75 HydrophobicContact CG-CG2 3.93Å; M73-V75 HydrophobicContact SD-CG2 4.05Å; M73-L85 CarbonylContact O-C 3.59Å; M73-L85 WeakPolarHBondContact O-CA 3.44Å; M73-L85 WeakPolarHBondContact O-CD1 3.43Å; M73-A86 HydrophobicContact CB-CB 4.04Å; M73-A86 PolarHBondContact N-O 3.32Å; M73-A86 PolarHBondContact O-N 3.24Å; M73-D126 CarbonylContact C-O 3.52Å; M73-D126 VanDerWaalsContact CA-O 3.31Å; M73-D126 WeakPolarHBondContact CA-O 3.42Å; M73-V127 HydrophobicContact CE-CG2 3.89Å; M73-V127 HydrophobicContact CG-CG2 4.07Å
74V88.1Confident85.6Confident17 Ų1757.4 Ų57.410%0.10330%0.303CS..EExtended strand (participates in β ladder)trans-112.9124.5171.8-179.10000107.3P52 Y83 W84 L85 Q125 D126P52-V74 HydrophobicContact CB-CG1 3.58Å; P52-V74 HydrophobicContact CB-CG2 4.34Å; V74-Y83 HydrophobicContact CG1-CD1 3.87Å; V74-W84 WeakPolarHBondContact CA-O 3.38Å; V74-L85 HydrophobicContact CG2-CD1 3.99Å; V74-Q125 WeakPolarHBondContact O-CA 3.47Å; V74-D126 HydrophobicContact CB-CB 4.44Å; V74-D126 PolarHBondContact N-O 3.02Å; V74-D126 PolarHBondContact O-N 2.71Å
75V86.3Confident85.5Confident7 Ų753.3 Ų53.34%0.04228%0.281CS..EExtended strand (participates in β ladder)trans-116.3126.8174.9-174.90000108.2M73 L77 Y83 W84 L119 A123 M124 Q125M73-V75 HydrophobicContact CG-CG2 3.93Å; M73-V75 HydrophobicContact SD-CG2 4.05Å; V75-L77 HydrophobicContact CG1-CD1 4.23Å; V75-Y83 CarbonylContact O-C 3.6Å; V75-Y83 VanDerWaalsContact O-CA 3.25Å; V75-Y83 WeakPolarHBondContact O-CA 3.31Å; V75-W84 HydrophobicContact CB-CB 4.25Å; V75-W84 PolarHBondContact N-O 3.17Å; V75-W84 PolarHBondContact O-N 3.15Å; V75-L119 HydrophobicContact CG1-CD2 4.04Å; V75-A123 HydrophobicContact CG1-CB 3.76Å; V75-M124 WeakPolarHBondContact CA-O 3.31Å; V75-Q125 HydrophobicContact CG1-CG 4.17Å; V75-Q125 HydrophobicContact CG2-CG 4.01Å
76Y85.1Confident85.8Confident71 Ų7149.7 Ų49.728%0.27824%0.242SC..EExtended strand (participates in β ladder)trans-99.8119.5171.6-177.5-125000110.1L78 K82 Y83 M124Y76-L78 HydrophobicContact CD1-CD2 3.82Å; Y76-L78 HydrophobicContact CD1-CG 4.38Å; Y76-L78 HydrophobicContact CE1-CD2 3.47Å; Y76-L78 VanDerWaalsContact CE1-CD2 3.47Å; Y76-L78 HydrophobicContact CE1-CG 4.37Å; Y76-K82 WeakPolarHBondContact CD2-O 3.24Å; Y76-Y83 AromaticContact CD2-CD1 3.9Å; Y76-Y83 HydrophobicContact CD2-CD1 3.9Å; Y76-Y83 HydrophobicContact CD2-CD2 4.25Å; Y76-Y83 AromaticContact CD2-CE1 3.53Å; Y76-Y83 HydrophobicContact CD2-CE1 3.53Å; Y76-Y83 AromaticContact CD2-CE2 3.89Å; Y76-Y83 HydrophobicContact CD2-CE2 3.89Å; Y76-Y83 HydrophobicContact CD2-CG 4.25Å; Y76-Y83 AromaticContact CD2-CZ 3.51Å; Y76-Y83 HydrophobicContact CE2-CE1 4.34Å; Y76-Y83 AromaticContact CE2-CE2 3.99Å; Y76-Y83 HydrophobicContact CE2-CE2 3.99Å; Y76-Y83 AromaticContact CE2-CZ 3.86Å; Y76-Y83 HydrophobicContact CG-CD1 4.46Å; Y76-Y83 HydrophobicContact CG-CE1 4.02Å; Y76-M124 PolarHBondContact N-O 3.45Å
77L82.3Confident86.1Confident17 Ų1740.2 Ų40.29%0.08921%0.205CC..EExtended strand (participates in β ladder)trans-91.2106.2176.9-71.282.7000108.2V75 D79 E80 G81 K82 W84V75-L77 HydrophobicContact CG1-CD1 4.23Å; L77-D79 VanDerWaalsContact C-N 3.31Å; L77-D79 PolarHBondContact O-N 2.85Å; L77-E80 HydrophobicContact CB-CB 4.48Å; L77-E80 PolarHBondContact O-N 3.3Å; L77-G81 WeakPolarHBondContact O-CA 3.42Å; L77-G81 PolarHBondContact O-N 3.5Å; L77-K82 PolarHBondContact N-O 3.28Å; L77-K82 PolarHBondContact O-N 2.91Å; L77-W84 HydrophobicContact CD1-CB 4.31Å; L77-W84 HydrophobicContact CD1-CD2 3.78Å; L77-W84 HydrophobicContact CD1-CG 3.56Å; L77-W84 HydrophobicContact CD2-CD2 4.42Å; L77-W84 HydrophobicContact CD2-CZ2 3.74Å
78L78Confident86.3Confident82 Ų8238.9 Ų38.943%0.42920%0.199SC..THydrogen-bonded Turntrans-60.2-40.2-178.2-72.9172.4000112.5Y76 E80 T122Y76-L78 HydrophobicContact CD1-CD2 3.82Å; Y76-L78 HydrophobicContact CD1-CG 4.38Å; Y76-L78 HydrophobicContact CE1-CD2 3.47Å; Y76-L78 VanDerWaalsContact CE1-CD2 3.47Å; Y76-L78 HydrophobicContact CE1-CG 4.37Å; L78-E80 VanDerWaalsContact C-N 3.32Å; L78-E80 PolarHBondContact O-N 2.97Å; L78-T122 WeakPolarHBondContact CD1-O 3.47Å; L78-T122 WeakPolarHBondContact CD1-OG1 3.38Å
79D80Confident86.5Confident151 Ų15135.6 Ų35.681%0.80718%0.181SC*.THydrogen-bonded Turntrans-68.3-30.9-175-60.6-33.9000113L77L77-D79 VanDerWaalsContact C-N 3.31Å; L77-D79 PolarHBondContact O-N 2.85Å
80E77.6Confident86.5Confident101 Ų10137 Ų3747%0.47219%0.19SC..THydrogen-bonded Turntrans-103.1-14-178.3-62-167.2-166.400113.5L77 L78 K82L77-E80 HydrophobicContact CB-CB 4.48Å; L77-E80 PolarHBondContact O-N 3.3Å; L78-E80 VanDerWaalsContact C-N 3.32Å; L78-E80 PolarHBondContact O-N 2.97Å; E80-K82 HydrophobicContact CB-CB 4.25Å; E80-K82 HydrophobicContact CB-CD 4.34Å; E80-K82 HydrophobicContact CB-CG 4.03Å; E80-K82 PolarHBondContact O-N 2.01Å; E80-K82 WeakPolarHBondContact OE2-CE 3.01Å; E80-K82 IonicContact OE2-NZ 2.75Å; E80-K82 PolarHBondContact OE2-NZ 3.02Å
81G83.1Confident86.2Confident39 Ų3941.3 Ų41.340%0.40221%0.213SC..THydrogen-bonded Turntrans62.226.2-171.200000113.3L77L77-G81 WeakPolarHBondContact O-CA 3.42Å; L77-G81 PolarHBondContact O-N 3.5Å
82K85.8Confident85.4Confident66 Ų6647.1 Ų47.129%0.28724%0.235SC..EExtended strand (participates in β ladder)trans-115163.7-177.5-61.4-172.8-154.4144.30111.6D48 Y76 L77 E80D48-K82 HydrophobicContact CB-CD 4.1Å; D48-K82 VanDerWaalsContact OD1-CD 3.23Å; D48-K82 WeakPolarHBondContact OD1-CD 2.97Å; D48-K82 IonicContact OD1-NZ 2.7Å; D48-K82 PolarHBondContact OD1-NZ 3.47Å; Y76-K82 WeakPolarHBondContact CD2-O 3.24Å; L77-K82 PolarHBondContact N-O 3.28Å; L77-K82 PolarHBondContact O-N 2.91Å; E80-K82 HydrophobicContact CB-CB 4.25Å; E80-K82 HydrophobicContact CB-CD 4.34Å; E80-K82 HydrophobicContact CB-CG 4.03Å; E80-K82 PolarHBondContact O-N 2.01Å; E80-K82 WeakPolarHBondContact OE2-CE 3.01Å; E80-K82 IonicContact OE2-NZ 2.75Å; E80-K82 PolarHBondContact OE2-NZ 3.02Å
83Y86.6Confident84.6Confident61 Ų6149 Ų4924%0.23925%0.245CC..EExtended strand (participates in β ladder)trans-112.5141.6177.3-63.9-93.5000110.3L49 P52 V74 V75 Y76L49-Y83 VanDerWaalsContact CB-O 3.29Å; L49-Y83 WeakPolarHBondContact CB-O 3.39Å; L49-Y83 PolarHBondContact N-O 2.99Å; L49-Y83 PolarHBondContact O-N 2.74Å; P52-Y83 HydrophobicContact CB-CD1 3.8Å; P52-Y83 HydrophobicContact CB-CE1 4.03Å; P52-Y83 HydrophobicContact CB-CG 4.28Å; P52-Y83 HydrophobicContact CG-CE1 4.36Å; V74-Y83 HydrophobicContact CG1-CD1 3.87Å; V75-Y83 CarbonylContact O-C 3.6Å; V75-Y83 VanDerWaalsContact O-CA 3.25Å; V75-Y83 WeakPolarHBondContact O-CA 3.31Å; Y76-Y83 AromaticContact CD2-CD1 3.9Å; Y76-Y83 HydrophobicContact CD2-CD1 3.9Å; Y76-Y83 HydrophobicContact CD2-CD2 4.25Å; Y76-Y83 AromaticContact CD2-CE1 3.53Å; Y76-Y83 HydrophobicContact CD2-CE1 3.53Å; Y76-Y83 AromaticContact CD2-CE2 3.89Å; Y76-Y83 HydrophobicContact CD2-CE2 3.89Å; Y76-Y83 HydrophobicContact CD2-CG 4.25Å; Y76-Y83 AromaticContact CD2-CZ 3.51Å; Y76-Y83 HydrophobicContact CE2-CE1 4.34Å; Y76-Y83 AromaticContact CE2-CE2 3.99Å; Y76-Y83 HydrophobicContact CE2-CE2 3.99Å; Y76-Y83 AromaticContact CE2-CZ 3.86Å; Y76-Y83 HydrophobicContact CG-CD1 4.46Å; Y76-Y83 HydrophobicContact CG-CE1 4.02Å
84W87.6Confident83.3Confident23 Ų2352.1 Ų52.19%0.08727%0.269CS..EExtended strand (participates in β ladder)trans-107.5143.5160-60.40.4000108.7V46 T47 V74 V75 L77 L119V46-W84 CarbonylContact O-C 3.55Å; V46-W84 WeakPolarHBondContact O-CA 3.44Å; T47-W84 HydrophobicContact CG2-CD2 3.72Å; T47-W84 HydrophobicContact CG2-CE3 4.11Å; T47-W84 HydrophobicContact CG2-CG 3.91Å; T47-W84 HydrophobicContact CG2-CZ2 4.29Å; T47-W84 HydrophobicContact CG2-CZ3 4.49Å; V74-W84 WeakPolarHBondContact CA-O 3.38Å; V75-W84 HydrophobicContact CB-CB 4.25Å; V75-W84 PolarHBondContact N-O 3.17Å; V75-W84 PolarHBondContact O-N 3.15Å; L77-W84 HydrophobicContact CD1-CB 4.31Å; L77-W84 HydrophobicContact CD1-CD2 3.78Å; L77-W84 HydrophobicContact CD1-CG 3.56Å; L77-W84 HydrophobicContact CD2-CD2 4.42Å; L77-W84 HydrophobicContact CD2-CZ2 3.74Å; W84-L119 HydrophobicContact CE3-CD1 4.14Å; W84-L119 HydrophobicContact CE3-CD2 3.79Å; W84-L119 HydrophobicContact CE3-CG 4.28Å; W84-L119 HydrophobicContact CH2-CD1 3.38Å; W84-L119 HydrophobicContact CH2-CD2 4.35Å; W84-L119 HydrophobicContact CH2-CG 3.92Å; W84-L119 HydrophobicContact CZ2-CD1 4.49Å; W84-L119 HydrophobicContact CZ3-CD1 3.15Å; W84-L119 HydrophobicContact CZ3-CD2 3.66Å; W84-L119 HydrophobicContact CZ3-CG 3.69Å
85L88Confident82.1Confident0 Ų060.3 Ų60.30%030%0.303CS..EExtended strand (participates in β ladder)trans-133.4113.9-177.2175.352.5000109.4I45 V46 L49 C54 K72 M73 V74 K87I45-L85 WeakPolarHBondContact CA-O 3.32Å; V46-L85 PolarHBondContact N-O 2.9Å; V46-L85 PolarHBondContact O-N 2.83Å; L49-L85 HydrophobicContact CD1-CB 3.43Å; L49-L85 VanDerWaalsContact CD1-CB 3.43Å; L49-L85 HydrophobicContact CD1-CD2 4.12Å; L49-L85 HydrophobicContact CD1-CG 4.41Å; C54-L85 WeakPolarHBondContact SG-CD2 3.22Å; K72-L85 HydrophobicContact CG-CD1 4.07Å; M73-L85 CarbonylContact O-C 3.59Å; M73-L85 WeakPolarHBondContact O-CA 3.44Å; M73-L85 WeakPolarHBondContact O-CD1 3.43Å; V74-L85 HydrophobicContact CG2-CD1 3.99Å; L85-K87 HydrophobicContact CD1-CG 3.88Å; L85-K87 HydrophobicContact CG-CG 4.2Å
86A88.7Confident81.2Confident11 Ų1162 Ų629%0.09131%0.313CS..EExtended strand (participates in β ladder)trans-98.6131.5167.600000109.8L43 R44 I45 K72 M73L43-A86 HydrophobicContact CD1-CB 4.25Å; R44-A86 CarbonylContact O-C 3.54Å; R44-A86 WeakPolarHBondContact O-CA 3.26Å; I45-A86 HydrophobicContact CG1-CB 3.88Å; K72-A86 CarbonylContact C-O 3.58Å; K72-A86 WeakPolarHBondContact CA-O 3.37Å; M73-A86 HydrophobicContact CB-CB 4.04Å; M73-A86 PolarHBondContact N-O 3.32Å; M73-A86 PolarHBondContact O-N 3.24Å
87K91.1Very high80.5Confident2 Ų262.2 Ų62.21%0.00932%0.323CS..EExtended strand (participates in β ladder)trans-137.3142.8171-71.4-163.2176.4-160.40110.2N26 I27 R44 H58 I71 K72 L85 N136 A137N26-K87 WeakPolarHBondContact O-CB 3.36Å; I27-K87 WeakPolarHBondContact CG2-O 3.32Å; R44-K87 PolarHBondContact N-O 2.78Å; R44-K87 PolarHBondContact O-N 3.21Å; H58-K87 PolarHBondContact CE1-NZ 3.32Å; I71-K87 WeakPolarHBondContact O-CA 3Å; K72-K87 HydrophobicContact CB-CG 4.46Å; K72-K87 HydrophobicContact CG-CG 4.28Å; L85-K87 HydrophobicContact CD1-CG 3.88Å; L85-K87 HydrophobicContact CG-CG 4.2Å; K87-N136 PolarHBondContact NZ-O 3.45Å; K87-A137 PolarHBondContact NZ-O 3.47Å
88G92.5Very high80Confident0 Ų064.2 Ų64.20%034%0.343CS..EExtended strand (participates in β ladder)trans157.8-155.4173.600000113.6N42 C70 I71N42-G88 CarbonylContact O-C 3.6Å; N42-G88 WeakPolarHBondContact O-CA 3.09Å; C70-G88 CarbonylContact C-O 3.46Å; C70-G88 WeakPolarHBondContact CA-O 3.22Å; I71-G88 PolarHBondContact N-O 2.88Å; I71-G88 PolarHBondContact O-N 3.4Å; I71-G88 VanDerWaalsContact O-N 3.17Å
89C91.8Very high80Confident3 Ų361.9 Ų61.92%0.0234%0.338CS..EExtended strand (participates in β ladder)trans-88.5147.7175.7-58.40000110.8N42 C63 Q67 A69N42-C89 HydrophobicContact CB-CB 3.71Å; N42-C89 PolarHBondContact O-N 2.02Å; C63-C89 WeakPolarHBondContact CA-SG 3.44Å; C63-C89 HydrophobicContact CB-CB 3.78Å; C63-C89 WeakPolarHBondContact CB-SG 3.39Å; C63-C89 WeakPolarHBondContact SG-CB 2.99Å; C63-C89 CovalentContact SG-SG 2.04Å; C63-C89 PolarHBondContact SG-SG 2.81Å; Q67-C89 HydrophobicContact CB-CB 3.92Å; Q67-C89 HydrophobicContact CG-CB 4.07Å; Q67-C89 VanDerWaalsContact OE1-CB 3.29Å; A69-C89 CarbonylContact O-C 3.58Å
90T88.2Confident80.1Confident29 Ų2959 Ų5918%0.17833%0.329CS..EExtended strand (participates in β ladder)trans-145.2167.4174.2-161.80000109.8Q67 D68 A69 I71Q67-T90 CarbonylContact C-O 3.58Å; Q67-T90 VanDerWaalsContact CA-O 3.23Å; Q67-T90 WeakPolarHBondContact CA-O 3.15Å; D68-T90 PolarHBondContact N-O 2.92Å; A69-T90 HydrophobicContact CB-CG2 3.97Å; A69-T90 PolarHBondContact N-O 3Å; A69-T90 PolarHBondContact O-N 2.68Å; A69-T90 VanDerWaalsContact O-O 3.08Å; I71-T90 HydrophobicContact CB-CG2 3.79Å; I71-T90 HydrophobicContact CD1-CG2 4.49Å; I71-T90 HydrophobicContact CG2-CG2 4.2Å
91N84.2Confident80.1Confident92 Ų9257.2 Ų57.249%0.49232%0.321SS..  trans-92.7141.6165.6-174.1-21.6000107.9Y66 M93Y66-N91 WeakPolarHBondContact O-CB 3.41Å; Y66-N91 PolarHBondContact O-ND2 3.41Å; N91-M93 PolarHBondContact O-N 2.87Å
92R73.2Confident79.4Confident133 Ų13361.8 Ų61.850%0.50233%0.331SS..  trans-51.8112.9172.1-170.4174.6-174.8164.46.7111.2D68 E131D68-R92 WeakPolarHBondContact OD1-CB 3.22Å; D68-R92 PolarHBondContact OD1-N 2.84Å; D68-R92 WeakPolarHBondContact OD2-CB 3.28Å; R92-E131 IonicContact CZ-OE1 3.34Å; R92-E131 IonicContact NE-OE1 3.66Å; R92-E131 IonicContact NH1-OE1 3.74Å; R92-E131 PolarHBondContact NH1-OE1 2.92Å
93M70.5Confident78.2Confident77 Ų7761.4 Ų61.438%0.37934%0.335SS..  trans-76.7126.7170.7-71174.5-89.200108.6I71 N91 F95 V96 I129I71-M93 HydrophobicContact CD1-CE 4.34Å; N91-M93 PolarHBondContact O-N 2.87Å; M93-F95 PolarHBondContact O-N 2.8Å; M93-V96 HydrophobicContact CB-CB 4.26Å; M93-V96 HydrophobicContact CB-CG2 3.96Å; M93-V96 HydrophobicContact CE-CG2 4.43Å; M93-V96 PolarHBondContact O-N 2.83Å; M93-V96 VanDerWaalsContact O-N 3.15Å; M93-V96 HydrophobicContact SD-CG2 4.32Å; M93-I129 HydrophobicContact CE-CD1 3.9Å
94P60.5Low76.5Confident113 Ų11366.5 Ų66.573%0.73436%0.361SS*.THydrogen-bonded Turntrans-61.5-17.6-17420.4-30.7000114
95F63.7Low74.7Confident189 Ų18967.4 Ų67.483%0.82937%0.369SS*.THydrogen-bonded Turntrans-106.4-0.2-176.3-52.9-69.7000114.4M93M93-F95 PolarHBondContact O-N 2.8Å
96V66Low72.4Confident41 Ų4176.8 Ų76.825%0.24841%0.413CS..SBendtrans-113.2111.4178.8-171.50000108.5M93 I129M93-V96 HydrophobicContact CB-CB 4.26Å; M93-V96 HydrophobicContact CB-CG2 3.96Å; M93-V96 HydrophobicContact CE-CG2 4.43Å; M93-V96 PolarHBondContact O-N 2.83Å; M93-V96 VanDerWaalsContact O-N 3.15Å; M93-V96 HydrophobicContact SD-CG2 4.32Å; V96-I129 HydrophobicContact CB-CD1 3.88Å; V96-I129 HydrophobicContact CG1-CD1 3.52Å; V96-I129 HydrophobicContact CG1-CG1 4.33Å
97P70.3Confident70.3Confident76 Ų7678.8 Ų78.849%0.49442%0.421SS..  trans-62.1156176-10.521.6000111.3H101P97-H101 WeakPolarHBondContact CB-NE2 3.32Å; P97-H101 WeakPolarHBondContact CD-NE2 3.25Å; P97-H101 WeakPolarHBondContact CG-NE2 3.49Å; P97-H101 PolarHBondContact O-CD2 2.81Å; P97-H101 PolarHBondContact O-NE2 2.75Å
98A73Confident67.5Low60 Ų6087.3 Ų87.350%0.49646%0.461SS..SBendtrans-65.1139.6166.200000109.4
99G78.6Confident64.7Low33 Ų3395.4 Ų95.434%0.3450%0.499SS..EExtended strand (participates in β ladder)trans120.2-173.5-169.800000112.2C128 I129G99-C128 VanDerWaalsContact O-CA 3.27Å; G99-C128 WeakPolarHBondContact O-CA 3.42Å; G99-I129 PolarHBondContact N-O 2.76Å; G99-I129 PolarHBondContact O-N 3.35Å
100C80.8Confident62.1Low91 Ų91101.3 Ų101.362%0.61553%0.534SS*.EExtended strand (participates in β ladder)trans-102.3125.5178.2-65.80000110V127 C128C100-V127 CarbonylContact C-O 3.58Å; C100-V127 WeakPolarHBondContact CA-O 3.32Å; C100-C128 HydrophobicContact CB-CB 4.14Å; C100-C128 WeakPolarHBondContact CB-SG 3.47Å; C100-C128 WeakPolarHBondContact SG-CB 3.43Å; C100-C128 CovalentContact SG-SG 2.05Å; C100-C128 PolarHBondContact SG-SG 2.96Å
101H76.9Confident59.6Low63 Ų63103.4 Ų103.429%0.29256%0.561SS.*EExtended strand (participates in β ladder)trans-120.8129.5177.5-62.5-73.6000109P97 V127P97-H101 WeakPolarHBondContact CB-NE2 3.32Å; P97-H101 WeakPolarHBondContact CD-NE2 3.25Å; P97-H101 WeakPolarHBondContact CG-NE2 3.49Å; P97-H101 PolarHBondContact O-CD2 2.81Å; P97-H101 PolarHBondContact O-NE2 2.75Å; H101-V127 PolarHBondContact N-O 2.88Å; H101-V127 PolarHBondContact O-N 3.27Å
102Q68.4Low57.4Low134 Ų134104.4 Ų104.463%0.62656%0.564SS**EExtended strand (participates in β ladder)trans-89.9116.2169.7-177.6164.570.100107.8Q125 D126Q102-Q125 WeakPolarHBondContact CA-O 3.09Å; Q102-D126 WeakPolarHBondContact CG-OD1 3.32Å; Q102-D126 PolarHBondContact NE2-OD1 2.99Å
103T62.1Low56Low59 Ų59103.8 Ų103.836%0.36257%0.571SS.*EExtended strand (participates in β ladder)trans-114.6123178.4-49.20000108.2T105 Q125T103-T105 HydrophobicContact CG2-CG2 3.55Å; T103-T105 PolarHBondContact O-N 3.48Å; T103-Q125 PolarHBondContact N-O 2.75Å; T103-Q125 PolarHBondContact O-N 3.15Å
104Q50.9Low54.6Low168 Ų168110.7 Ų110.779%0.78559%0.593SS**EExtended strand (participates in β ladder)trans-80.7101.7159.5-70.2-175.326.500106.3
105T48.8Very low53.9Low41 Ų41108.9 Ų108.925%0.25258%0.577SS.*EExtended strand (participates in β ladder)trans-91.5110.8171.646.90000108.3T103 M107 Q125T103-T105 HydrophobicContact CG2-CG2 3.55Å; T103-T105 PolarHBondContact O-N 3.48Å; T105-M107 VanDerWaalsContact C-N 3.33Å; T105-M107 PolarHBondContact O-N 3.22Å; T105-Q125 PolarHBondContact OG1-NE2 3.34Å; T105-Q125 PolarHBondContact OG1-OE1 3Å
106E41Very low52.9Low197 Ų197103.4 Ų103.492%0.92155%0.553SS**  trans-64.7106144.4-75-171.8161.700104.6Q108E106-Q108 PolarHBondContact O-N 2.79Å
107M43.9Very low51.6Low53 Ų53109.2 Ų109.226%0.26157%0.57SS.*  trans-63.9102-168.6-62.7-148.1-173.400111.1T105 E109 L119 A123T105-M107 VanDerWaalsContact C-N 3.33Å; T105-M107 PolarHBondContact O-N 3.22Å; M107-E109 PolarHBondContact O-N 2.04Å; M107-L119 HydrophobicContact CE-CB 3.33Å; M107-L119 HydrophobicContact CE-CD2 3.48Å; M107-L119 VanDerWaalsContact CE-CD2 3.48Å; M107-L119 HydrophobicContact CE-CG 4.04Å; M107-L119 HydrophobicContact SD-CB 3.38Å; M107-L119 WeakPolarHBondContact SD-CB 3.05Å; M107-L119 HydrophobicContact SD-CD2 4.12Å; M107-L119 HydrophobicContact SD-CG 4.29Å; M107-A123 HydrophobicContact CE-CB 4.03Å
108Q32.4Very low50.1Low181 Ų181109.6 Ų109.685%0.84657%0.574SS**  trans-71127.1161.1-133.1175.11.900107.4E106 V110E106-Q108 PolarHBondContact O-N 2.79Å; Q108-V110 VanDerWaalsContact C-N 3.34Å; Q108-V110 PolarHBondContact O-N 3.21Å
109E33.7Very low48.8Very low171 Ų171107 Ų10780%0.79955%0.552SS**  trans-53.983-175.4-62.5177.4135.500112.8M107 G111M107-E109 PolarHBondContact O-N 2.04Å; E109-G111 VanDerWaalsContact C-N 3.29Å; E109-G111 PolarHBondContact O-N 3.39Å
110V36.4Very low47Very low127 Ų127110.7 Ų110.777%0.7757%0.573SS**  trans-82.284.6168.2-174.30000108Q108 M112Q108-V110 VanDerWaalsContact C-N 3.34Å; Q108-V110 PolarHBondContact O-N 3.21Å; V110-M112 VanDerWaalsContact C-N 3.27Å; V110-M112 PolarHBondContact O-N 2.81Å
111G35.1Very low45.3Very low72 Ų72107.9 Ų107.974%0.74256%0.559SS**SBendtrans21.238.1151.400000122.2E109E109-G111 VanDerWaalsContact C-N 3.29Å; E109-G111 PolarHBondContact O-N 3.39Å
112M39.2Very low44Very low113 Ų113110.3 Ų110.356%0.55758%0.579SS**  trans-116.9103.1165.1-86.4-74.9-89.100109.1V110 R114 F116V110-M112 VanDerWaalsContact C-N 3.27Å; V110-M112 PolarHBondContact O-N 2.81Å; M112-R114 VanDerWaalsContact C-N 3.34Å; M112-R114 PolarHBondContact O-N 3.1Å; M112-F116 HydrophobicContact CB-CD2 3.66Å; M112-F116 HydrophobicContact CB-CE2 3.99Å
113D42.8Very low43.6Very low121 Ų121104.4 Ų104.465%0.64755%0.553SS**THydrogen-bonded Turntrans-75.1-2.9-132.5-141.4-8.4000117.3R117D113-R117 PolarHBondContact O-NH1 2.83Å; D113-R117 IonicContact OD1-NH1 2.99Å
114R41.8Very low43.4Very low221 Ų221106.3 Ų106.383%0.83456%0.559SS**THydrogen-bonded Turntrans-146.9-33.8-178.1-65.8-172.4-177.7179.3-0.2116.1M112M112-R114 VanDerWaalsContact C-N 3.34Å; M112-R114 PolarHBondContact O-N 3.1Å
115L46.2Very low44.5Very low75 Ų7599.1 Ų99.139%0.39353%0.525SS..THydrogen-bonded Turntrans-74.8-28.7-179.8-90.9146.9000113.1V38 S118 L119V38-L115 HydrophobicContact CB-CD1 4.35Å; V38-L115 HydrophobicContact CG1-CD1 4.07Å; V38-L115 HydrophobicContact CG2-CD1 3.59Å; V38-L115 HydrophobicContact CG2-CD2 4.42Å; L115-S118 PolarHBondContact O-OG 2.83Å; L115-L119 VanDerWaalsContact O-CD1 3.24Å; L115-L119 WeakPolarHBondContact O-CD1 3.13Å
116F42.4Very low46.1Very low75 Ų75100.2 Ų100.233%0.32953%0.53SS..G310 helixtrans-87.9-12-177.6-73.2-82000114.5I45 M112 S118 L119I45-F116 HydrophobicContact CD1-CZ 4.4Å; M112-F116 HydrophobicContact CB-CD2 3.66Å; M112-F116 HydrophobicContact CB-CE2 3.99Å; F116-S118 PolarHBondContact O-N 2.89Å; F116-L119 HydrophobicContact CB-CD1 4.41Å; F116-L119 HydrophobicContact CD1-CD1 4Å; F116-L119 HydrophobicContact CG-CD1 4.5Å; F116-L119 PolarHBondContact O-N 2.89Å
117R37.9Very low48.1Very low163 Ų16391.5 Ų91.562%0.61549%0.49SS*.G310 helixtrans-66.3-22.2177-94.5-175.7165.7110.70.7113.7D113 S120D113-R117 PolarHBondContact O-NH1 2.83Å; D113-R117 IonicContact OD1-NH1 2.99Å; R117-S120 PolarHBondContact O-OG 3.45Å
118S40.1Very low50.1Low83 Ų8390.2 Ų90.258%0.5849%0.486SS*.G310 helixtrans-87.4-1178.870.20000114L115 F116L115-S118 PolarHBondContact O-OG 2.83Å; F116-S118 PolarHBondContact O-N 2.89Å
119L45Very low52.7Low5 Ų582 Ų823%0.02645%0.447CS..G310 helixtrans-99.120.3179.3-61.185.8000113.6V75 W84 M107 L115 F116 G121V75-L119 HydrophobicContact CG1-CD2 4.04Å; W84-L119 HydrophobicContact CE3-CD1 4.14Å; W84-L119 HydrophobicContact CE3-CD2 3.79Å; W84-L119 HydrophobicContact CE3-CG 4.28Å; W84-L119 HydrophobicContact CH2-CD1 3.38Å; W84-L119 HydrophobicContact CH2-CD2 4.35Å; W84-L119 HydrophobicContact CH2-CG 3.92Å; W84-L119 HydrophobicContact CZ2-CD1 4.49Å; W84-L119 HydrophobicContact CZ3-CD1 3.15Å; W84-L119 HydrophobicContact CZ3-CD2 3.66Å; W84-L119 HydrophobicContact CZ3-CG 3.69Å; M107-L119 HydrophobicContact CE-CB 3.33Å; M107-L119 HydrophobicContact CE-CD2 3.48Å; M107-L119 VanDerWaalsContact CE-CD2 3.48Å; M107-L119 HydrophobicContact CE-CG 4.04Å; M107-L119 HydrophobicContact SD-CB 3.38Å; M107-L119 WeakPolarHBondContact SD-CB 3.05Å; M107-L119 HydrophobicContact SD-CD2 4.12Å; M107-L119 HydrophobicContact SD-CG 4.29Å; L115-L119 VanDerWaalsContact O-CD1 3.24Å; L115-L119 WeakPolarHBondContact O-CD1 3.13Å; F116-L119 HydrophobicContact CB-CD1 4.41Å; F116-L119 HydrophobicContact CD1-CD1 4Å; F116-L119 HydrophobicContact CG-CD1 4.5Å; F116-L119 PolarHBondContact O-N 2.89Å; L119-G121 PolarHBondContact O-N 2.81Å
120S41Very low55.3Low111 Ų11175.3 Ų75.378%0.77642%0.419SS*.  trans-66.724.9174-51.50000114.4R117R117-S120 PolarHBondContact O-OG 3.45Å
121G44.8Very low57.7Low32 Ų3273.6 Ų73.633%0.3340%0.403SS..SBendtrans-109.6166.1172.700000111.2L119 A123L119-G121 PolarHBondContact O-N 2.81Å; G121-A123 VanDerWaalsContact C-N 3.27Å; G121-A123 PolarHBondContact O-N 3.13Å
122T49.6Very low60.1Low115 Ų11574.6 Ų74.671%0.70640%0.395SS*.  trans-60.688.1169.8450000109.6L78L78-T122 WeakPolarHBondContact CD1-O 3.47Å; L78-T122 WeakPolarHBondContact CD1-OG1 3.38Å
123A61.1Low62.5Low10 Ų1072.9 Ų72.98%0.08339%0.388CS..EExtended strand (participates in β ladder)trans-99124.1177.600000108.9V75 M107 G121 Q125V75-A123 HydrophobicContact CG1-CB 3.76Å; M107-A123 HydrophobicContact CE-CB 4.03Å; G121-A123 VanDerWaalsContact C-N 3.27Å; G121-A123 PolarHBondContact O-N 3.13Å; A123-Q125 PolarHBondContact O-N 2.98Å
124M56.6Low64.8Low98 Ų9869.3 Ų69.348%0.48337%0.369SS..EExtended strand (participates in β ladder)trans-75.1123.2169.6-68.5-175.5-179.800108.2V75 Y76V75-M124 WeakPolarHBondContact CA-O 3.31Å; Y76-M124 PolarHBondContact N-O 3.45Å
125Q74.8Confident66.9Low17 Ų1760.7 Ų60.78%0.07934%0.342CS..EExtended strand (participates in β ladder)trans-115.5119.9177.8-55.8-167.9-27.100110.2V74 V75 Q102 T103 T105 A123V74-Q125 WeakPolarHBondContact O-CA 3.47Å; V75-Q125 HydrophobicContact CG1-CG 4.17Å; V75-Q125 HydrophobicContact CG2-CG 4.01Å; Q102-Q125 WeakPolarHBondContact CA-O 3.09Å; T103-Q125 PolarHBondContact N-O 2.75Å; T103-Q125 PolarHBondContact O-N 3.15Å; T105-Q125 PolarHBondContact OG1-NE2 3.34Å; T105-Q125 PolarHBondContact OG1-OE1 3Å; A123-Q125 PolarHBondContact O-N 2.98Å
126D81.7Confident69Low65 Ų6557.2 Ų57.235%0.34832%0.324SS..EExtended strand (participates in β ladder)trans-102.7115.5168.3-65.1-26.2000108.3M73 V74 Q102M73-D126 CarbonylContact C-O 3.52Å; M73-D126 VanDerWaalsContact CA-O 3.31Å; M73-D126 WeakPolarHBondContact CA-O 3.42Å; V74-D126 HydrophobicContact CB-CB 4.44Å; V74-D126 PolarHBondContact N-O 3.02Å; V74-D126 PolarHBondContact O-N 2.71Å; Q102-D126 WeakPolarHBondContact CG-OD1 3.32Å; Q102-D126 PolarHBondContact NE2-OD1 2.99Å
127V83.6Confident70.9Confident13 Ų1354.5 Ų54.58%0.07932%0.315CS..EExtended strand (participates in β ladder)trans-112.5119.4179.5-175.20000109.1I71 M73 C100 H101 I129I71-V127 HydrophobicContact CD1-CG1 4.12Å; I71-V127 HydrophobicContact CG1-CG1 4.34Å; M73-V127 HydrophobicContact CE-CG2 3.89Å; M73-V127 HydrophobicContact CG-CG2 4.07Å; C100-V127 CarbonylContact C-O 3.58Å; C100-V127 WeakPolarHBondContact CA-O 3.32Å; H101-V127 PolarHBondContact N-O 2.88Å; H101-V127 PolarHBondContact O-N 3.27Å; V127-I129 HydrophobicContact CG1-CG1 4.27Å
128C85.7Confident72.3Confident27 Ų2749.1 Ų49.118%0.18230%0.302CS..EExtended strand (participates in β ladder)trans-113.8128.9175-57.80000110.6I71 K72 G99 C100I71-C128 CarbonylContact C-O 3.55Å; I71-C128 WeakPolarHBondContact CA-O 3.23Å; K72-C128 HydrophobicContact CB-CB 4.33Å; K72-C128 PolarHBondContact N-O 2.8Å; K72-C128 PolarHBondContact O-N 3.05Å; G99-C128 VanDerWaalsContact O-CA 3.27Å; G99-C128 WeakPolarHBondContact O-CA 3.42Å; C100-C128 HydrophobicContact CB-CB 4.14Å; C100-C128 WeakPolarHBondContact CB-SG 3.47Å; C100-C128 WeakPolarHBondContact SG-CB 3.43Å; C100-C128 CovalentContact SG-SG 2.05Å; C100-C128 PolarHBondContact SG-SG 2.96Å
129I87.8Confident72.7Confident7 Ų753.9 Ų53.94%0.03631%0.313CS..EExtended strand (participates in β ladder)trans-122.7136.6176.9-57-176.9000109.5A69 C70 I71 M93 V96 G99 V127A69-I129 HydrophobicContact CB-CG2 3.69Å; C70-I129 WeakPolarHBondContact O-CA 3.48Å; I71-I129 HydrophobicContact CG1-CG1 4.41Å; M93-I129 HydrophobicContact CE-CD1 3.9Å; V96-I129 HydrophobicContact CB-CD1 3.88Å; V96-I129 HydrophobicContact CG1-CD1 3.52Å; V96-I129 HydrophobicContact CG1-CG1 4.33Å; G99-I129 PolarHBondContact N-O 2.76Å; G99-I129 PolarHBondContact O-N 3.35Å; V127-I129 HydrophobicContact CG1-CG1 4.27Å
130C87.4Confident72.7Confident31 Ų3158.9 Ų58.921%0.20934%0.339CS..EExtended strand (participates in β ladder)trans-151.8153.8179.2560000112A69 C70 C135A69-C130 CarbonylContact C-O 3.54Å; C70-C130 PolarHBondContact N-O 2.86Å; C70-C130 PolarHBondContact O-N 3.38Å; C130-C135 HydrophobicContact CB-CB 3.75Å; C130-C135 WeakPolarHBondContact CB-SG 3.24Å; C130-C135 PolarHBondContact O-SG 2.92Å; C130-C135 VanDerWaalsContact SG-C 3.56Å; C130-C135 WeakPolarHBondContact SG-CB 3.06Å; C130-C135 CovalentContact SG-SG 2.01Å; C130-C135 PolarHBondContact SG-SG 3.33Å
131E86.4Confident72.8Confident91 Ų9160.6 Ų60.643%0.42535%0.348SS..  trans-115.117.4-166.2-60.5174.317900113A69 R92A69-E131 HydrophobicContact CB-CG 4.38Å; R92-E131 IonicContact CZ-OE1 3.34Å; R92-E131 IonicContact NE-OE1 3.66Å; R92-E131 IonicContact NH1-OE1 3.74Å; R92-E131 PolarHBondContact NH1-OE1 2.92Å
132T86.6Confident72.7Confident93 Ų9361.8 Ų61.857%0.57136%0.36SS*.SBendtrans-115.3151.5-179.148.20000111.3N134 C135T132-N134 PolarHBondContact O-N 2.92Å; T132-C135 VanDerWaalsContact O-CB 3.26Å; T132-C135 WeakPolarHBondContact O-CB 3.4Å; T132-C135 PolarHBondContact O-N 3.24Å; T132-C135 VanDerWaalsContact O-N 3.15Å; T132-C135 PolarHBondContact O-SG 3.22Å; T132-C135 VanDerWaalsContact OG1-CB 3.22Å; T132-C135 WeakPolarHBondContact OG1-CB 3.47Å
133N89.8Confident72.4Confident77 Ų7767.4 Ų67.441%0.41237%0.368SS..THydrogen-bonded Turntrans-51.7128.8178.9-73.1-25000111K24 C135K24-N133 HydrophobicContact CB-CB 4.48Å; K24-N133 PolarHBondContact N-OD1 3.11Å; K24-N133 CarbonylContact O-C 3.48Å; K24-N133 WeakPolarHBondContact O-CA 3.21Å; N133-C135 PolarHBondContact O-N 3.45Å
134N89.8Confident71.5Confident47 Ų4771.5 Ų71.525%0.25139%0.388SS..THydrogen-bonded Turntrans59.717175-66.1-45000115.5K24 N26 E60 T132 N136 A137K24-N134 PolarHBondContact O-N 3.43Å; N26-N134 VanDerWaalsContact ND2-CA 3.32Å; N26-N134 WeakPolarHBondContact ND2-CA 3.44Å; N26-N134 WeakPolarHBondContact ND2-CB 3.2Å; N26-N134 PolarHBondContact ND2-O 3.1Å; N26-N134 PolarHBondContact ND2-OD1 3.43Å; E60-N134 PolarHBondContact OE2-ND2 3.17Å; T132-N134 PolarHBondContact O-N 2.92Å; N134-N136 VanDerWaalsContact C-N 3.26Å; N134-N136 PolarHBondContact O-N 3.42Å; N134-A137 WeakPolarHBondContact O-CB 3.27Å; N134-A137 PolarHBondContact O-N 3.23Å
135C87.6Confident71.4Confident39 Ų3972.6 Ų72.626%0.26440%0.395SS..G310 helixtrans-63.4-29.7-176.863.80000113.7C130 T132 N133 A137C130-C135 HydrophobicContact CB-CB 3.75Å; C130-C135 WeakPolarHBondContact CB-SG 3.24Å; C130-C135 PolarHBondContact O-SG 2.92Å; C130-C135 VanDerWaalsContact SG-C 3.56Å; C130-C135 WeakPolarHBondContact SG-CB 3.06Å; C130-C135 CovalentContact SG-SG 2.01Å; C130-C135 PolarHBondContact SG-SG 3.33Å; T132-C135 VanDerWaalsContact O-CB 3.26Å; T132-C135 WeakPolarHBondContact O-CB 3.4Å; T132-C135 PolarHBondContact O-N 3.24Å; T132-C135 VanDerWaalsContact O-N 3.15Å; T132-C135 PolarHBondContact O-SG 3.22Å; T132-C135 VanDerWaalsContact OG1-CB 3.22Å; T132-C135 WeakPolarHBondContact OG1-CB 3.47Å; N133-C135 PolarHBondContact O-N 3.45Å; C135-A137 PolarHBondContact O-N 3Å
136N88.4Confident70.4Confident3 Ų380 Ų802%0.01643%0.427CS..G310 helixtrans-79.41.2177.973.2-18.8000113.8N26 C70 I71 K72 K87 N134 S138N26-N136 WeakPolarHBondContact CB-OD1 3.37Å; N26-N136 PolarHBondContact N-OD1 2.94Å; N26-N136 PolarHBondContact O-ND2 2.82Å; C70-N136 HydrophobicContact CB-CB 3.81Å; I71-N136 PolarHBondContact O-ND2 2.87Å; I71-N136 VanDerWaalsContact O-ND2 3.15Å; K72-N136 HydrophobicContact CB-CB 4.4Å; K87-N136 PolarHBondContact NZ-O 3.45Å; N134-N136 VanDerWaalsContact C-N 3.26Å; N134-N136 PolarHBondContact O-N 3.42Å; N136-S138 PolarHBondContact O-N 2.99Å; N136-S138 PolarHBondContact O-OG 3.35Å
137A83.3Confident69Low17 Ų1784.1 Ų84.114%0.1444%0.442CS..G310 helixtrans-51.8-42.3174.400000111.4N26 K87 N134 C135 F139N26-A137 WeakPolarHBondContact ND2-CB 3.37Å; K87-A137 PolarHBondContact NZ-O 3.47Å; N134-A137 WeakPolarHBondContact O-CB 3.27Å; N134-A137 PolarHBondContact O-N 3.23Å; C135-A137 PolarHBondContact O-N 3Å; A137-F139 HydrophobicContact CB-CE2 4.41Å; A137-F139 PolarHBondContact O-N 3.46Å
138S66.8Low67.9Low50 Ų5089.1 Ų89.135%0.3547%0.467SS..  trans16.288.5-17553.10000114.9K72 N136K72-S138 VanDerWaalsContact CD-OG 3.22Å; K72-S138 WeakPolarHBondContact CD-OG 3.32Å; K72-S138 PolarHBondContact NZ-OG 2.93Å; N136-S138 PolarHBondContact O-N 2.99Å; N136-S138 PolarHBondContact O-OG 3.35Å
139F49.9Very low66.6Low183 Ų18393.6 Ų93.680%0.80348%0.484SS*.  trans-47.7151.8159.6-68.1-97.8000110.9A137A137-F139 HydrophobicContact CB-CE2 4.41Å; A137-F139 PolarHBondContact O-N 3.46Å
140L45.1Very low65.4Low110 Ų11099 Ų9958%0.57651%0.512SS*.  trans-38.2136.8174.9-64.3102.3000111.7Y53 G142Y53-L140 HydrophobicContact CE1-CD2 4.29Å; L140-G142 PolarHBondContact O-N 2.8Å
141P42.2Very low64Low148 Ų148100.8 Ų100.896%0.96152%0.523SS*.SBendtrans-67.681.216529.2-31.9000108
142G43.5Very low63Low56 Ų56101.7 Ų101.758%0.57753%0.529SS*.  trans151.486.1-174.600000111.5L140L140-G142 PolarHBondContact O-N 2.8Å
143R42.4Very low62.1Low233 Ų233100 Ų10088%0.87952%0.524SS*.SBendtrans156.674.1144.2-177.1170156.1-164.2-7.1110.2
144N42.8Very low60.9Low96 Ų96102 Ų10251%0.51353%0.534SS..  trans-153.419.2153.7-109.2-13.2000114.9F146 K147N144-F146 PolarHBondContact O-N 2.94Å; N144-K147 PolarHBondContact O-N 3.28Å; N144-K147 VanDerWaalsContact OD1-CD 3.27Å; N144-K147 WeakPolarHBondContact OD1-CD 3.46Å; N144-K147 VanDerWaalsContact OD1-CG 3.25Å; N144-K147 WeakPolarHBondContact OD1-CG 3.45Å
145I54.8Low59.6Low122 Ų122106.7 Ų106.763%0.62655%0.552SS**Hα-helixtrans-59.4-34.7167.9-68.7174.5000110.1K147 I148 F149I145-K147 VanDerWaalsContact C-N 3.29Å; I145-K147 PolarHBondContact O-N 3.39Å; I145-I148 PolarHBondContact O-N 3.39Å; I145-F149 HydrophobicContact CG2-CD2 3.77Å; I145-F149 HydrophobicContact CG2-CE2 3.45Å; I145-F149 VanDerWaalsContact CG2-CE2 3.45Å; I145-F149 VanDerWaalsContact O-CD2 3.29Å; I145-F149 WeakPolarHBondContact O-CD2 3.41Å; I145-F149 PolarHBondContact O-N 2.88Å
146F53.6Low58.6Low173 Ų173112.5 Ų112.576%0.75957%0.57SS**Hα-helixtrans-67.6-18.4177.9-79.9-78.2000115.5N144 L150N144-F146 PolarHBondContact O-N 2.94Å; F146-L150 PolarHBondContact O-N 3.46Å
147K51.7Low57.8Low150 Ų150117.6 Ų117.665%0.65260%0.601SS**Hα-helixtrans-79-18.9173.8-83.5-167-173.3-173.50113.4N144 I145 P151N144-K147 PolarHBondContact O-N 3.28Å; N144-K147 VanDerWaalsContact OD1-CD 3.27Å; N144-K147 WeakPolarHBondContact OD1-CD 3.46Å; N144-K147 VanDerWaalsContact OD1-CG 3.25Å; N144-K147 WeakPolarHBondContact OD1-CG 3.45Å; I145-K147 VanDerWaalsContact C-N 3.29Å; I145-K147 PolarHBondContact O-N 3.39Å; K147-P151 WeakPolarHBondContact O-CD 3.24Å
148I59.9Low56.8Low119 Ų119127.1 Ų127.161%0.6163%0.633SS**Hα-helixtrans-81.3-35173.5-60.5168.8000109.9I145 P151I145-I148 PolarHBondContact O-N 3.39Å; I148-P151 WeakPolarHBondContact O-CD 3.48Å; I148-P151 WeakPolarHBondContact O-CG 3.24Å
149F58.6Low56.2Low120 Ų120134.3 Ų134.353%0.52665%0.654SS.*Hα-helixtrans-75.5-28.2179.9-75.6-72.1000114.2I145 M152 A153I145-F149 HydrophobicContact CG2-CD2 3.77Å; I145-F149 HydrophobicContact CG2-CE2 3.45Å; I145-F149 VanDerWaalsContact CG2-CE2 3.45Å; I145-F149 VanDerWaalsContact O-CD2 3.29Å; I145-F149 WeakPolarHBondContact O-CD2 3.41Å; I145-F149 PolarHBondContact O-N 2.88Å; F149-M152 PolarHBondContact O-N 3.43Å; F149-A153 VanDerWaalsContact O-CB 3.3Å; F149-A153 WeakPolarHBondContact O-CB 3.31Å; F149-A153 PolarHBondContact O-N 3.06Å
150L63.4Low56.6Low120 Ų120137.2 Ų137.263%0.62866%0.662SS**Hα-helixtrans-62.1-48.7178.6-157.586.1000113.9F146 A153 L154F146-L150 PolarHBondContact O-N 3.46Å; L150-A153 PolarHBondContact O-N 2.87Å; L150-L154 WeakPolarHBondContact O-CG 3.48Å; L150-L154 PolarHBondContact O-N 3.36Å; L150-L154 VanDerWaalsContact O-N 3.11Å
151P57.6Low57.2Low69 Ų69138.6 Ų138.645%0.44867%0.666SS.*Hα-helixtrans-69-34.1176.226-33.3000112.6K147 I148 L154 F155K147-P151 WeakPolarHBondContact O-CD 3.24Å; I148-P151 WeakPolarHBondContact O-CD 3.48Å; I148-P151 WeakPolarHBondContact O-CG 3.24Å; P151-L154 PolarHBondContact O-N 3.43Å; P151-F155 PolarHBondContact O-N 3.17Å
152M66.3Low58Low111 Ų111138.1 Ų138.155%0.54765%0.651SS.*Hα-helixtrans-63.8-42.2174.3-97.7-87.4-81.100112.2F149 F155 Y156F149-M152 PolarHBondContact O-N 3.43Å; M152-F155 PolarHBondContact O-N 2.91Å; M152-Y156 PolarHBondContact O-N 3.32Å
153A66.7Low58.8Low56 Ų56142.7 Ų142.746%0.46366%0.655SS.*Hα-helixtrans-66.2-40.3176.700000111.8F149 L150 Y156 V157F149-A153 VanDerWaalsContact O-CB 3.3Å; F149-A153 WeakPolarHBondContact O-CB 3.31Å; F149-A153 PolarHBondContact O-N 3.06Å; L150-A153 PolarHBondContact O-N 2.87Å; A153-Y156 PolarHBondContact O-N 3.1Å; A153-V157 WeakPolarHBondContact O-CG2 3.45Å; A153-V157 PolarHBondContact O-N 3.35Å
154L65.4Low59.7Low119 Ų119137.4 Ų137.462%0.62364%0.641SS**Hα-helixtrans-66.6-36.8175.9-70.1171.2000112.4L150 P151 W158L150-L154 WeakPolarHBondContact O-CG 3.48Å; L150-L154 PolarHBondContact O-N 3.36Å; L150-L154 VanDerWaalsContact O-N 3.11Å; P151-L154 PolarHBondContact O-N 3.43Å; L154-W158 PolarHBondContact O-N 2.94Å
155F61.1Low60.8Low146 Ų146139.9 Ų139.964%0.6465%0.649SS**Hα-helixtrans-65.7-39.4172.8-108.6-87.8000112.4P151 M152 W158 Y159P151-F155 PolarHBondContact O-N 3.17Å; M152-F155 PolarHBondContact O-N 2.91Å; F155-W158 PolarHBondContact O-N 3.23Å; F155-Y159 PolarHBondContact O-N 3.17Å
156Y66.1Low61.2Low161 Ų161141.1 Ų141.163%0.63165%0.651SS**Hα-helixtrans-67.5-37.4179-119-91.4000112.8M152 A153 W158M152-Y156 PolarHBondContact O-N 3.32Å; A153-Y156 PolarHBondContact O-N 3.1Å; Y156-W158 VanDerWaalsContact C-N 3.33Å
157V72.3Confident61.7Low110 Ų110138.9 Ų138.967%0.66764%0.643SS**Hα-helixtrans-74.3-23.41771750000112.2A153 Y160A153-V157 WeakPolarHBondContact O-CG2 3.45Å; A153-V157 PolarHBondContact O-N 3.35Å; V157-Y160 VanDerWaalsContact O-OXT 3.11Å
158W62Low62.5Low217 Ų217138 Ų13882%0.82264%0.643SS**Hα-helixtrans-83.8-19.1176.4-164.655.2000113.4L154 F155 Y156L154-W158 PolarHBondContact O-N 2.94Å; F155-W158 PolarHBondContact O-N 3.23Å; Y156-W158 VanDerWaalsContact C-N 3.33Å
159Y55.3Low62.7Low201 Ų201139.6 Ų139.679%0.78865%0.645SS**  trans-91.2-7.8-178.8-162.8-97.7000114F155F155-Y159 PolarHBondContact O-N 3.17Å
160Y58Low63.1Low245 Ų245141.4 Ų141.496%0.96166%0.656SS**  trans-125.10176.9-95-84.9000110.8V157V157-Y160 VanDerWaalsContact O-OXT 3.11Å

Retrieved 160 of 160 residues in 336.4 ms (Link to these results)

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