G4VS07_SCHMA Loading...

RRP15-like protein

AlphaFold DB , UniProt , Accession G4VS07, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 169 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
1M52.2Low74.1Confident183 Ų183108.9 Ų108.990%0.90154%0.537SS*.  0113.80-64.7-54.8-160.700106.9
2G66.2Low74.5Confident44 Ų44110.3 Ų110.345%0.45454%0.541SS..  trans-71.3149.9178.900000110.3K4 V5G2-K4 PolarHBondContact O-N 3.46Å; G2-V5 PolarHBondContact O-N 3.05Å
3F73Confident74.3Confident161 Ų161108.2 Ų108.271%0.70653%0.533SS*.Hα-helixtrans-49.2-30175.8-164.1-94000112.7V5 I6 R7F3-V5 PolarHBondContact O-N 3.13Å; F3-I6 PolarHBondContact O-N 2.95Å; F3-R7 WeakPolarHBondContact O-CB 3.44Å; F3-R7 PolarHBondContact O-N 2.93Å
4K73.7Confident73.9Confident164 Ų164110.1 Ų110.171%0.71355%0.546SS*.Hα-helixtrans-53-47.8172-65.6-171.4176.4-173.90113G2 R7 E8G2-K4 PolarHBondContact O-N 3.46Å; K4-R7 PolarHBondContact O-N 2.92Å; K4-E8 WeakPolarHBondContact O-CB 3.41Å; K4-E8 VanDerWaalsContact O-CG 3.29Å; K4-E8 WeakPolarHBondContact O-CG 3.41Å; K4-E8 PolarHBondContact O-N 2.89Å
5V79.5Confident73.8Confident56 Ų56112.1 Ų112.134%0.33955%0.553SS.*Hα-helixtrans-66.6-42.5-179.6-178.70000110.9G2 F3 R7 E8 I9G2-V5 PolarHBondContact O-N 3.05Å; F3-V5 PolarHBondContact O-N 3.13Å; V5-R7 VanDerWaalsContact C-N 3.33Å; V5-R7 PolarHBondContact O-N 2.85Å; V5-E8 PolarHBondContact O-N 3.21Å; V5-I9 HydrophobicContact CG1-CD1 3.92Å; V5-I9 WeakPolarHBondContact O-CD1 3.34Å; V5-I9 VanDerWaalsContact O-CG1 3.23Å; V5-I9 WeakPolarHBondContact O-CG1 3.38Å; V5-I9 PolarHBondContact O-N 3.21Å
6I74.5Confident73.5Confident90 Ų90111.9 Ų111.946%0.46255%0.55SS..Hα-helixtrans-64.3-43178.1-62.6174.6000110F3 I9 L10F3-I6 PolarHBondContact O-N 2.95Å; I6-I9 PolarHBondContact O-N 3.31Å; I6-L10 HydrophobicContact CG2-CD1 4.44Å; I6-L10 WeakPolarHBondContact O-CB 3.29Å; I6-L10 PolarHBondContact O-N 2.96Å
7R79.3Confident73.2Confident146 Ų146114.7 Ų114.755%0.55157%0.568SS**Hα-helixtrans-63-44.1176.6-177.6-179.7178.3-85.6-0.8111.7F3 K4 V5 L10 L11F3-R7 WeakPolarHBondContact O-CB 3.44Å; F3-R7 PolarHBondContact O-N 2.93Å; K4-R7 PolarHBondContact O-N 2.92Å; V5-R7 VanDerWaalsContact C-N 3.33Å; V5-R7 PolarHBondContact O-N 2.85Å; R7-L10 PolarHBondContact O-N 3.38Å; R7-L11 HydrophobicContact CG-CD1 4.15Å; R7-L11 HydrophobicContact CG-CG 4.44Å; R7-L11 WeakPolarHBondContact O-CB 3.34Å; R7-L11 VanDerWaalsContact O-CG 3.3Å; R7-L11 WeakPolarHBondContact O-CG 3.41Å; R7-L11 PolarHBondContact O-N 2.93Å
8E83.9Confident72.8Confident111 Ų111111.8 Ų111.852%0.51955%0.554SS.*Hα-helixtrans-59.8-45.3176-77.7163.7-165.200111.4K4 V5 L10 L11 Q12K4-E8 WeakPolarHBondContact O-CB 3.41Å; K4-E8 VanDerWaalsContact O-CG 3.29Å; K4-E8 WeakPolarHBondContact O-CG 3.41Å; K4-E8 PolarHBondContact O-N 2.89Å; V5-E8 PolarHBondContact O-N 3.21Å; E8-L10 PolarHBondContact O-N 2.98Å; E8-L11 PolarHBondContact O-N 3.24Å; E8-Q12 WeakPolarHBondContact O-CG 3.42Å; E8-Q12 PolarHBondContact O-N 3.28Å
9I78.4Confident72.7Confident82 Ų82110.1 Ų110.142%0.42155%0.552SS.*Hα-helixtrans-62.4-43.5175.2-67165.2000110.9V5 I6 L11 Q12 L13V5-I9 HydrophobicContact CG1-CD1 3.92Å; V5-I9 WeakPolarHBondContact O-CD1 3.34Å; V5-I9 VanDerWaalsContact O-CG1 3.23Å; V5-I9 WeakPolarHBondContact O-CG1 3.38Å; V5-I9 PolarHBondContact O-N 3.21Å; I6-I9 PolarHBondContact O-N 3.31Å; I9-L11 VanDerWaalsContact C-N 3.34Å; I9-L11 PolarHBondContact O-N 3.41Å; I9-Q12 PolarHBondContact O-N 2.73Å; I9-L13 HydrophobicContact CG2-CD1 3.96Å; I9-L13 HydrophobicContact CG2-CG 4.41Å; I9-L13 WeakPolarHBondContact O-CB 3.41Å; I9-L13 VanDerWaalsContact O-CG 3.32Å; I9-L13 WeakPolarHBondContact O-CG 3.22Å; I9-L13 PolarHBondContact O-N 3.19Å
10L76.4Confident72.5Confident96 Ų96115 Ų11550%0.50357%0.569SS.*Hα-helixtrans-63.1-41.3178.5-110.8163.2000111.9I6 R7 E8 L13 L14I6-L10 HydrophobicContact CG2-CD1 4.44Å; I6-L10 WeakPolarHBondContact O-CB 3.29Å; I6-L10 PolarHBondContact O-N 2.96Å; R7-L10 PolarHBondContact O-N 3.38Å; E8-L10 PolarHBondContact O-N 2.98Å; L10-L13 PolarHBondContact O-N 3.43Å; L10-L14 WeakPolarHBondContact O-CB 3.22Å; L10-L14 VanDerWaalsContact O-CG 3.25Å; L10-L14 WeakPolarHBondContact O-CG 3.42Å; L10-L14 PolarHBondContact O-N 2.94Å
11L78.1Confident72.6Confident65 Ų65117.7 Ų117.734%0.3459%0.586SS.*Hα-helixtrans-65.8-44176.2-71.6173.5000111.1R7 E8 I9 L13 L14 E15R7-L11 HydrophobicContact CG-CD1 4.15Å; R7-L11 HydrophobicContact CG-CG 4.44Å; R7-L11 WeakPolarHBondContact O-CB 3.34Å; R7-L11 VanDerWaalsContact O-CG 3.3Å; R7-L11 WeakPolarHBondContact O-CG 3.41Å; R7-L11 PolarHBondContact O-N 2.93Å; E8-L11 PolarHBondContact O-N 3.24Å; I9-L11 VanDerWaalsContact C-N 3.34Å; I9-L11 PolarHBondContact O-N 3.41Å; L11-L13 VanDerWaalsContact C-N 3.33Å; L11-L13 PolarHBondContact O-N 3.23Å; L11-L14 PolarHBondContact O-N 2.93Å; L11-L14 VanDerWaalsContact O-N 3.13Å; L11-E15 WeakPolarHBondContact O-CB 3.43Å; L11-E15 WeakPolarHBondContact O-CG 3.47Å; L11-E15 PolarHBondContact O-N 3.36Å
12Q79.3Confident73.5Confident126 Ų126111.3 Ų111.359%0.58956%0.56SS**Hα-helixtrans-57.6-44.7173.6-80.5-178.5-30.500112.2E8 I9 L14 E15 E16E8-Q12 WeakPolarHBondContact O-CG 3.42Å; E8-Q12 PolarHBondContact O-N 3.28Å; I9-Q12 PolarHBondContact O-N 2.73Å; Q12-L14 VanDerWaalsContact C-N 3.28Å; Q12-L14 PolarHBondContact O-N 3.22Å; Q12-E15 PolarHBondContact O-N 3.44Å; Q12-E16 PolarHBondContact O-N 3.25Å
13L71.9Confident73.5Confident83 Ų83114.6 Ų114.644%0.43556%0.563SS.*Hα-helixtrans-67.5-27.7177.8-72.8172.2000113.2I9 L10 L11 L28I9-L13 HydrophobicContact CG2-CD1 3.96Å; I9-L13 HydrophobicContact CG2-CG 4.41Å; I9-L13 WeakPolarHBondContact O-CB 3.41Å; I9-L13 VanDerWaalsContact O-CG 3.32Å; I9-L13 WeakPolarHBondContact O-CG 3.22Å; I9-L13 PolarHBondContact O-N 3.19Å; L10-L13 PolarHBondContact O-N 3.43Å; L11-L13 VanDerWaalsContact C-N 3.33Å; L11-L13 PolarHBondContact O-N 3.23Å; L13-L28 HydrophobicContact CD2-CD1 4.21Å; L13-L28 HydrophobicContact CD2-CD2 4.4Å
14L69Low73.3Confident135 Ų135110.1 Ų110.171%0.70755%0.55SS**Hα-helixtrans-78.9-29.3174.2-74.7168.4000112.2L10 L11 Q12L10-L14 WeakPolarHBondContact O-CB 3.22Å; L10-L14 VanDerWaalsContact O-CG 3.25Å; L10-L14 WeakPolarHBondContact O-CG 3.42Å; L10-L14 PolarHBondContact O-N 2.94Å; L11-L14 PolarHBondContact O-N 2.93Å; L11-L14 VanDerWaalsContact O-N 3.13Å; Q12-L14 VanDerWaalsContact C-N 3.28Å; Q12-L14 PolarHBondContact O-N 3.22Å
15E72.2Confident72.8Confident139 Ų139108.1 Ų108.165%0.6555%0.546SS*.Hα-helixtrans-78.8-29.4176.1-75.4174.4-172.300112.8L11 Q12 N17L11-E15 WeakPolarHBondContact O-CB 3.43Å; L11-E15 WeakPolarHBondContact O-CG 3.47Å; L11-E15 PolarHBondContact O-N 3.36Å; Q12-E15 PolarHBondContact O-N 3.44Å; E15-N17 PolarHBondContact O-N 3.5Å; E15-N17 PolarHBondContact O-ND2 3.11Å; E15-N17 VanDerWaalsContact O-ND2 3.15Å
16E69Low72.2Confident109 Ų109111.4 Ų111.451%0.50956%0.561SS.*SBendtrans-62.2105.8173.7-84.8-174.9161.700110.1Q12 I18 L28Q12-E16 PolarHBondContact O-N 3.25Å; E16-I18 PolarHBondContact O-N 3.38Å; E16-L28 WeakPolarHBondContact OE2-CD2 3.43Å
17N68.2Low72Confident160 Ų160109.7 Ų109.786%0.85656%0.557SS**  trans-71.593.9178.3-82.1-90.7000109.4E15 P19E15-N17 PolarHBondContact O-N 3.5Å; E15-N17 PolarHBondContact O-ND2 3.11Å; E15-N17 VanDerWaalsContact O-ND2 3.15Å; N17-P19 WeakPolarHBondContact O-CD 3.38Å
18I66.2Low71.5Confident63 Ų63106.6 Ų106.632%0.32355%0.551SS.*  trans-70.5124.6171.1-55.9176.1000107.7E16 K20 P24 C27E16-I18 PolarHBondContact O-N 3.38Å; I18-K20 PolarHBondContact O-N 3.35Å; I18-P24 HydrophobicContact CD1-CB 3.85Å; I18-P24 HydrophobicContact CG2-CB 4.43Å; I18-C27 HydrophobicContact CG2-CB 4.14Å
19P70.3Confident71.2Confident79 Ų79104 Ų10451%0.51355%0.548SS..  trans-53.9131.1173.8-23.332.3000110.5N17 D21 S22N17-P19 WeakPolarHBondContact O-CD 3.38Å; P19-D21 PolarHBondContact O-N 2.99Å; P19-D21 VanDerWaalsContact O-N 3.09Å; P19-S22 PolarHBondContact O-N 3.09Å
20K68.6Low71.3Confident207 Ų207106.3 Ų106.390%0.956%0.555SS**THydrogen-bonded Turntrans-57.4-29.2-174.7-69180-179.2175.80113.6I18I18-K20 PolarHBondContact O-N 3.35Å
21D74.8Confident71.4Confident172 Ų172105.8 Ų105.892%0.9256%0.556SS**THydrogen-bonded Turntrans-90.2-0.6-176.3-58.5-29000113.3P19P19-D21 PolarHBondContact O-N 2.99Å; P19-D21 VanDerWaalsContact O-N 3.09Å
22S70.5Confident71.4Confident50 Ų50108.9 Ų108.935%0.3557%0.573SS.*SBendtrans-112.3145.9-177-172.70000112.3P19 C27P19-S22 PolarHBondContact O-N 3.09Å; S22-C27 WeakPolarHBondContact CB-SG 3.31Å; S22-C27 PolarHBondContact OG-SG 2.87Å
23H67.3Low71.2Confident112 Ų112109.9 Ų109.952%0.51958%0.578SS.*  trans-69.1125.8-178.4-155.4-75.4000109.9I25 L26 C27H23-I25 PolarHBondContact O-N 2.98Å; H23-I25 VanDerWaalsContact O-N 3.12Å; H23-L26 HydrophobicContact CB-CB 4.17Å; H23-L26 HydrophobicContact CB-CD1 3.85Å; H23-L26 HydrophobicContact CB-CG 3.94Å; H23-L26 PolarHBondContact O-N 3.32Å; H23-C27 PolarHBondContact O-N 3.2Å; H23-C27 VanDerWaalsContact O-N 3.1Å
24P67.3Low71.7Confident68 Ų68110.7 Ų110.744%0.44258%0.579SS.*Hα-helixtrans-60.7-33-169.920.8-33000113.4I18 L28I18-P24 HydrophobicContact CD1-CB 3.85Å; I18-P24 HydrophobicContact CG2-CB 4.43Å; P24-L28 WeakPolarHBondContact O-CG 3.41Å
25I63.4Low71.8Confident122 Ų122111.8 Ų111.863%0.62657%0.574SS**Hα-helixtrans-71.3-36.7177.3-57.7175.3000111.5H23 A29H23-I25 PolarHBondContact O-N 2.98Å; H23-I25 VanDerWaalsContact O-N 3.12Å; I25-A29 WeakPolarHBondContact O-CB 3.3Å; I25-A29 PolarHBondContact O-N 3.46Å; I25-A29 VanDerWaalsContact O-N 3.17Å
26L67.5Low72Confident124 Ų124107.7 Ų107.765%0.64956%0.564SS**Hα-helixtrans-76.3-34-177.5-62.4-179.7000111.6H23 L28 A29H23-L26 HydrophobicContact CB-CB 4.17Å; H23-L26 HydrophobicContact CB-CD1 3.85Å; H23-L26 HydrophobicContact CB-CG 3.94Å; H23-L26 PolarHBondContact O-N 3.32Å; L26-L28 VanDerWaalsContact C-N 3.3Å; L26-L28 PolarHBondContact O-N 3.1Å; L26-A29 WeakPolarHBondContact O-CB 3.49Å; L26-A29 PolarHBondContact O-N 3.48Å
27C70.3Confident72.3Confident55 Ų55109.6 Ų109.637%0.37257%0.571SS.*Hα-helixtrans-62.1-37.3173.5-75.10000113.3I18 S22 H23 A29I18-C27 HydrophobicContact CG2-CB 4.14Å; S22-C27 WeakPolarHBondContact CB-SG 3.31Å; S22-C27 PolarHBondContact OG-SG 2.87Å; H23-C27 PolarHBondContact O-N 3.2Å; H23-C27 VanDerWaalsContact O-N 3.1Å; C27-A29 VanDerWaalsContact C-N 3.35Å
28L69.7Low72.5Confident81 Ų81104.4 Ų104.442%0.42455%0.55SS..THydrogen-bonded Turntrans-86.8-9.2-179.9-64.1173000112.6L13 E16 P24 L26 K30L13-L28 HydrophobicContact CD2-CD1 4.21Å; L13-L28 HydrophobicContact CD2-CD2 4.4Å; E16-L28 WeakPolarHBondContact OE2-CD2 3.43Å; P24-L28 WeakPolarHBondContact O-CG 3.41Å; L26-L28 VanDerWaalsContact C-N 3.3Å; L26-L28 PolarHBondContact O-N 3.1Å; L28-K30 PolarHBondContact O-N 2.97Å
29A76.6Confident72.7Confident57 Ų57107.4 Ų107.447%0.47156%0.561SS.*  trans-74.4110.6-179.700000110.2I25 L26 C27I25-A29 WeakPolarHBondContact O-CB 3.3Å; I25-A29 PolarHBondContact O-N 3.46Å; I25-A29 VanDerWaalsContact O-N 3.17Å; L26-A29 WeakPolarHBondContact O-CB 3.49Å; L26-A29 PolarHBondContact O-N 3.48Å; C27-A29 VanDerWaalsContact C-N 3.35Å
30K79.7Confident72.5Confident129 Ų129111.4 Ų111.456%0.56157%0.57SS**  trans-68.4138172.7-65.6-175.9180-175.60111.5L28 E34 R35L28-K30 PolarHBondContact O-N 2.97Å; K30-E34 WeakPolarHBondContact CA-OE2 3.29Å; K30-E34 HydrophobicContact CB-CB 4.19Å; K30-E34 WeakPolarHBondContact CB-OE2 3.46Å; K30-R35 HydrophobicContact CB-CG 4.09Å
31T78.8Confident72Confident86 Ų86108.9 Ų108.953%0.52856%0.561SS.*  trans-67152.5172.9-58.50000110.2Q33 E34 R35T31-Q33 HydrophobicContact CG2-CB 4.42Å; T31-Q33 PolarHBondContact O-N 3.18Å; T31-Q33 VanDerWaalsContact O-N 3.14Å; T31-E34 PolarHBondContact N-OE2 2.87Å; T31-E34 WeakPolarHBondContact O-CB 3.5Å; T31-E34 PolarHBondContact O-N 3.28Å; T31-R35 PolarHBondContact O-N 3.3Å
32D78.3Confident71.1Confident129 Ų129109.8 Ų109.869%0.6955%0.552SS**Hα-helixtrans-54.8-34.3178.7-74.1-25.3000112.9R35 A36D32-R35 PolarHBondContact O-N 3.22Å; D32-A36 WeakPolarHBondContact O-CB 3.33Å; D32-A36 PolarHBondContact O-N 2.86Å
33Q76.6Confident70.3Confident148 Ų148112.5 Ų112.569%0.69256%0.559SS**Hα-helixtrans-64.1-38.7174-65.6-171.9-4.300112.9T31 A36 K37T31-Q33 HydrophobicContact CG2-CB 4.42Å; T31-Q33 PolarHBondContact O-N 3.18Å; T31-Q33 VanDerWaalsContact O-N 3.14Å; Q33-A36 PolarHBondContact O-N 3.08Å; Q33-K37 WeakPolarHBondContact O-CG 3.38Å; Q33-K37 PolarHBondContact O-N 3.47Å; Q33-K37 VanDerWaalsContact O-N 3.08Å
34E80.5Confident69.5Low99 Ų99110.5 Ų110.546%0.46357%0.568SS.*Hα-helixtrans-71.3-38.7177.3-64.3177.7150.600111.3K30 T31 A36 K37 A38K30-E34 WeakPolarHBondContact CA-OE2 3.29Å; K30-E34 HydrophobicContact CB-CB 4.19Å; K30-E34 WeakPolarHBondContact CB-OE2 3.46Å; T31-E34 PolarHBondContact N-OE2 2.87Å; T31-E34 WeakPolarHBondContact O-CB 3.5Å; T31-E34 PolarHBondContact O-N 3.28Å; E34-A36 VanDerWaalsContact C-N 3.32Å; E34-A36 PolarHBondContact O-N 3.22Å; E34-K37 PolarHBondContact O-N 3.38Å; E34-A38 PolarHBondContact O-N 3.49Å
35R72.9Confident68.5Low158 Ų158112.2 Ų112.260%0.59657%0.573SS**Hα-helixtrans-60.8-42.7173-70.6-177.5175.1-156.5-2.4111.2K30 T31 D32 A38 K39K30-R35 HydrophobicContact CB-CG 4.09Å; T31-R35 PolarHBondContact O-N 3.3Å; D32-R35 PolarHBondContact O-N 3.22Å; R35-A38 PolarHBondContact O-N 2.97Å; R35-K39 WeakPolarHBondContact O-CB 3.3Å; R35-K39 PolarHBondContact O-N 3.3Å
36A76.5Confident67.7Low54 Ų54113 Ų11345%0.44658%0.578SS.*Hα-helixtrans-63.4-41.6176.600000112.3D32 Q33 E34 K39 K40D32-A36 WeakPolarHBondContact O-CB 3.33Å; D32-A36 PolarHBondContact O-N 2.86Å; Q33-A36 PolarHBondContact O-N 3.08Å; E34-A36 VanDerWaalsContact C-N 3.32Å; E34-A36 PolarHBondContact O-N 3.22Å; A36-K39 WeakPolarHBondContact O-CB 3.49Å; A36-K39 PolarHBondContact O-N 3.45Å; A36-K40 PolarHBondContact O-N 3.08Å
37K74.3Confident66.8Low148 Ų148113.1 Ų113.164%0.64358%0.58SS**Hα-helixtrans-62.8-45.1174.8-72.6176.5-177.2178.80112.1Q33 E34 K39 K40 H41Q33-K37 WeakPolarHBondContact O-CG 3.38Å; Q33-K37 PolarHBondContact O-N 3.47Å; Q33-K37 VanDerWaalsContact O-N 3.08Å; E34-K37 PolarHBondContact O-N 3.38Å; K37-K39 VanDerWaalsContact C-N 3.25Å; K37-K39 PolarHBondContact O-N 2.77Å; K37-K40 PolarHBondContact O-N 3.38Å; K37-H41 PolarHBondContact O-N 2.87Å
38A71.9Confident66Low51 Ų51119.3 Ų119.342%0.42160%0.603SS.*Hα-helixtrans-63.4-33.5176.900000112.3E34 R35 R42E34-A38 PolarHBondContact O-N 3.49Å; R35-A38 PolarHBondContact O-N 2.97Å; A38-R42 PolarHBondContact O-N 2.76Å
39K70.9Confident65.1Low127 Ų127120.3 Ų120.355%0.55261%0.609SS**Hα-helixtrans-67.2-46.6174.2-161.9-174.1-175.3-119.70111.7R35 A36 K37 H41 R42 E43R35-K39 WeakPolarHBondContact O-CB 3.3Å; R35-K39 PolarHBondContact O-N 3.3Å; A36-K39 WeakPolarHBondContact O-CB 3.49Å; A36-K39 PolarHBondContact O-N 3.45Å; K37-K39 VanDerWaalsContact C-N 3.25Å; K37-K39 PolarHBondContact O-N 2.77Å; K39-H41 PolarHBondContact O-N 2.93Å; K39-R42 PolarHBondContact O-N 2.86Å; K39-E43 WeakPolarHBondContact CE-OE1 3.47Å; K39-E43 IonicContact NZ-OE1 3.83Å; K39-E43 PolarHBondContact NZ-OE1 3.17Å; K39-E43 PolarHBondContact O-N 3.39Å
40K65.3Low63.8Low162 Ų162120.6 Ų120.670%0.70460%0.601SS**Hα-helixtrans-57.7-37.6174.9-74.9-170.3175-170.10112.6A36 K37 R42 E43 G44A36-K40 PolarHBondContact O-N 3.08Å; K37-K40 PolarHBondContact O-N 3.38Å; K40-R42 PolarHBondContact O-N 2.82Å; K40-E43 PolarHBondContact O-N 3.46Å; K40-G44 PolarHBondContact O-N 3.4Å
41H59.3Low62.4Low155 Ų155116.8 Ų116.872%0.71860%0.598SS**Hα-helixtrans-67.9-22.4177.2-159.9-60.4000113.1K37 K39K37-H41 PolarHBondContact O-N 2.87Å; K39-H41 PolarHBondContact O-N 2.93Å
42R54.6Low61.1Low190 Ų190117.7 Ų117.772%0.71760%0.599SS**Hα-helixtrans-84.6-39.3173.2-76.8-167.2172.9-157.9-2.4112.9A38 K39 K40 G44 I45A38-R42 PolarHBondContact O-N 2.76Å; K39-R42 PolarHBondContact O-N 2.86Å; K40-R42 PolarHBondContact O-N 2.82Å; R42-G44 PolarHBondContact O-N 3.42Å; R42-I45 PolarHBondContact O-N 2.89Å
43E54Low59.9Low107 Ų107116 Ų11650%0.559%0.589SS.*Hα-helixtrans-70.2-11.5-179.2-69.4173176.400113.2K39 K40 I45K39-E43 WeakPolarHBondContact CE-OE1 3.47Å; K39-E43 IonicContact NZ-OE1 3.83Å; K39-E43 PolarHBondContact NZ-OE1 3.17Å; K39-E43 PolarHBondContact O-N 3.39Å; K40-E43 PolarHBondContact O-N 3.46Å; E43-I45 PolarHBondContact O-N 3.46Å
44G51.4Low58.9Low70 Ų70113.3 Ų113.372%0.72258%0.579SS**THydrogen-bonded Turntrans-80.85.917100000114.8K40 R42K40-G44 PolarHBondContact O-N 3.4Å; R42-G44 PolarHBondContact O-N 3.42Å
45I46.2Very low58Low104 Ų104111.4 Ų111.453%0.53358%0.576SS.*SBendtrans-108.8116.4179-61.7168.8000106.7R42 E43 D47R42-I45 PolarHBondContact O-N 2.89Å; E43-I45 PolarHBondContact O-N 3.46Å; I45-D47 PolarHBondContact O-N 3.27Å
46D45.4Very low57.8Low139 Ų139107 Ų10774%0.74357%0.565SS**  trans-31.5120.7-173.5-102.6-31000114.8E48 D49D46-E48 PolarHBondContact O-N 3.47Å; D46-E48 VanDerWaalsContact O-N 3.15Å; D46-D49 PolarHBondContact O-N 2.83Å
47D49.4Very low57.5Low127 Ų127107.1 Ų107.168%0.67957%0.566SS**Hα-helixtrans-65.7-14.2-175.9-75.6-51.1000114I45I45-D47 PolarHBondContact O-N 3.27Å
48E53.4Low57.2Low185 Ų185109 Ų10986%0.86457%0.569SS**Hα-helixtrans-69.9-34179.6-69.3-162.2168.900112.4D46D46-E48 PolarHBondContact O-N 3.47Å; D46-E48 VanDerWaalsContact O-N 3.15Å
49D51.2Low57.2Low101 Ų101113.3 Ų113.354%0.5458%0.578SS.*Hα-helixtrans-83.3-24.3-178.6-129.9-5000112D46 G51 L52 L53D46-D49 PolarHBondContact O-N 2.83Å; D49-G51 PolarHBondContact O-N 3.17Å; D49-L52 PolarHBondContact O-N 2.84Å; D49-L53 WeakPolarHBondContact O-CB 3.33Å; D49-L53 WeakPolarHBondContact O-CG 3.43Å; D49-L53 PolarHBondContact O-N 3.25Å
50E48.8Very low57.3Low64 Ų64114.5 Ų114.530%0.29958%0.583SS.*Hα-helixtrans-63.7-37.4-180-82.2-71.2176.700112.6L52 L53 I54E50-L52 VanDerWaalsContact C-N 3.33Å; E50-L52 PolarHBondContact O-N 2.92Å; E50-L53 PolarHBondContact O-N 3.35Å; E50-I54 WeakPolarHBondContact O-CB 3.27Å; E50-I54 WeakPolarHBondContact O-CD1 3.4Å; E50-I54 WeakPolarHBondContact O-CG1 3.38Å; E50-I54 PolarHBondContact O-N 3.08Å
51G49.8Very low57.3Low49 Ų49115.3 Ų115.351%0.50558%0.582SS.*Hα-helixtrans-58.7-44.7176.700000112.5D49 S55D49-G51 PolarHBondContact O-N 3.17Å; G51-S55 PolarHBondContact O-N 3.49Å
52L51.6Low57.8Low105 Ų105116.2 Ų116.255%0.5558%0.579SS.*Hα-helixtrans-71.6-40.9177.7-16176.7000111D49 E50 S55 N56D49-L52 PolarHBondContact O-N 2.84Å; E50-L52 VanDerWaalsContact C-N 3.33Å; E50-L52 PolarHBondContact O-N 2.92Å; L52-S55 PolarHBondContact O-N 3.03Å; L52-S55 PolarHBondContact O-OG 3.26Å; L52-N56 WeakPolarHBondContact O-CB 3.28Å; L52-N56 PolarHBondContact O-N 2.87Å; L52-N56 PolarHBondContact O-ND2 3.48Å
53L53.6Low58.5Low93 Ų93111.4 Ų111.449%0.48757%0.566SS.*Hα-helixtrans-64-41.8177.4-70.7176.2000112.5D49 E50 S55 N56 A57D49-L53 WeakPolarHBondContact O-CB 3.33Å; D49-L53 WeakPolarHBondContact O-CG 3.43Å; D49-L53 PolarHBondContact O-N 3.25Å; E50-L53 PolarHBondContact O-N 3.35Å; L53-S55 VanDerWaalsContact C-N 3.35Å; L53-S55 PolarHBondContact O-N 3.18Å; L53-N56 PolarHBondContact O-N 3.49Å; L53-A57 WeakPolarHBondContact O-CB 3.4Å; L53-A57 PolarHBondContact O-N 2.9Å
54I55.1Low59.1Low92 Ų92111.5 Ų111.547%0.47256%0.562SS.*Hα-helixtrans-63.6-42.7175.8-66.5161.3000110.2E50 A57 R58E50-I54 WeakPolarHBondContact O-CB 3.27Å; E50-I54 WeakPolarHBondContact O-CD1 3.4Å; E50-I54 WeakPolarHBondContact O-CG1 3.38Å; E50-I54 PolarHBondContact O-N 3.08Å; I54-A57 PolarHBondContact O-N 3.5Å; I54-R58 WeakPolarHBondContact O-CB 3.36Å; I54-R58 PolarHBondContact O-N 3.41Å
55S62.6Low59.8Low59 Ų59111.3 Ų111.341%0.41354%0.544SS..Hα-helixtrans-63.4-44.3177.585.50000111.3G51 L52 L53 R58 K59G51-S55 PolarHBondContact O-N 3.49Å; L52-S55 PolarHBondContact O-N 3.03Å; L52-S55 PolarHBondContact O-OG 3.26Å; L53-S55 VanDerWaalsContact C-N 3.35Å; L53-S55 PolarHBondContact O-N 3.18Å; S55-R58 PolarHBondContact O-N 3.38Å; S55-K59 WeakPolarHBondContact O-CB 3.28Å; S55-K59 PolarHBondContact O-N 2.88Å
56N68.5Low60.8Low65 Ų65113 Ų11335%0.34855%0.548SS..Hα-helixtrans-68.8-39.1177.9-81.2-37.2000111.7L52 L53 K59 K60L52-N56 WeakPolarHBondContact O-CB 3.28Å; L52-N56 PolarHBondContact O-N 2.87Å; L52-N56 PolarHBondContact O-ND2 3.48Å; L53-N56 PolarHBondContact O-N 3.49Å; N56-K59 PolarHBondContact O-N 3.39Å; N56-K60 VanDerWaalsContact O-CB 3.25Å; N56-K60 WeakPolarHBondContact O-CB 3.41Å; N56-K60 WeakPolarHBondContact O-CG 3.27Å; N56-K60 PolarHBondContact O-N 3.33Å
57A70.9Confident61.7Low57 Ų57112.4 Ų112.447%0.47154%0.541SS..Hα-helixtrans-65.1-43.1175.300000111L53 I54 R61L53-A57 WeakPolarHBondContact O-CB 3.4Å; L53-A57 PolarHBondContact O-N 2.9Å; I54-A57 PolarHBondContact O-N 3.5Å; A57-R61 VanDerWaalsContact O-CB 3.23Å; A57-R61 WeakPolarHBondContact O-CB 3.31Å; A57-R61 PolarHBondContact O-N 2.68Å
58R68.3Low62.2Low188 Ų188107.2 Ų107.271%0.70952%0.515SS*.Hα-helixtrans-62-44.7172.1-93.1-177172.2178.6-0.2111.8I54 S55 R61 R62I54-R58 WeakPolarHBondContact O-CB 3.36Å; I54-R58 PolarHBondContact O-N 3.41Å; S55-R58 PolarHBondContact O-N 3.38Å; R58-R61 PolarHBondContact O-N 3.48Å; R58-R62 PolarHBondContact O-N 2.92Å
59K71.2Confident62.6Low140 Ų140107.2 Ų107.261%0.60951%0.509SS*.Hα-helixtrans-63.1-47.8178.2-167.7174.7-178.1179.40111S55 N56 R61 R62 I63S55-K59 WeakPolarHBondContact O-CB 3.28Å; S55-K59 PolarHBondContact O-N 2.88Å; N56-K59 PolarHBondContact O-N 3.39Å; K59-R61 VanDerWaalsContact C-N 3.33Å; K59-R61 PolarHBondContact O-N 2.7Å; K59-R62 PolarHBondContact O-N 2.67Å; K59-I63 HydrophobicContact CG-CD1 4.25Å; K59-I63 WeakPolarHBondContact O-CG1 3.49Å; K59-I63 PolarHBondContact O-N 3.29Å
60K71.9Confident63.2Low153 Ų153108.5 Ų108.567%0.66552%0.52SS*.Hα-helixtrans-57.5-44.3173.2-75.7174.3-178.81770111.2N56 I63 W64N56-K60 VanDerWaalsContact O-CB 3.25Å; N56-K60 WeakPolarHBondContact O-CB 3.41Å; N56-K60 WeakPolarHBondContact O-CG 3.27Å; N56-K60 PolarHBondContact O-N 3.33Å; K60-I63 PolarHBondContact O-N 3.4Å; K60-W64 WeakPolarHBondContact O-CB 3.33Å; K60-W64 PolarHBondContact O-N 2.93Å
61R66.8Low63.9Low179 Ų179107.3 Ų107.368%0.67552%0.519SS*.Hα-helixtrans-64.5-39.6177-172.8172.7-179.2175.7-0.2112.6A57 R58 K59 W64 L65A57-R61 VanDerWaalsContact O-CB 3.23Å; A57-R61 WeakPolarHBondContact O-CB 3.31Å; A57-R61 PolarHBondContact O-N 2.68Å; R58-R61 PolarHBondContact O-N 3.48Å; K59-R61 VanDerWaalsContact C-N 3.33Å; K59-R61 PolarHBondContact O-N 2.7Å; R61-W64 WeakPolarHBondContact O-CB 3.29Å; R61-W64 PolarHBondContact O-N 2.71Å; R61-L65 HydrophobicContact CG-CD1 4.41Å; R61-L65 WeakPolarHBondContact O-CG 3.4Å; R61-L65 PolarHBondContact O-N 3.35Å
62R68.6Low64.4Low173 Ų173108.9 Ų108.965%0.65352%0.52SS*.Hα-helixtrans-65.2-43.5174.9-81.2178.768.9162.80.7112.2R58 K59 W64 L65 K66R58-R62 PolarHBondContact O-N 2.92Å; K59-R62 PolarHBondContact O-N 2.67Å; R62-W64 VanDerWaalsContact C-N 3.31Å; R62-L65 PolarHBondContact O-N 2.92Å; R62-K66 WeakPolarHBondContact O-CG 3.32Å; R62-K66 PolarHBondContact O-N 3.47Å
63I69Low64.7Low89 Ų89107.7 Ų107.746%0.45651%0.513SS..Hα-helixtrans-62.8-43.1175.5-65.7164.7000109.9K59 K60 K66 Q67K59-I63 HydrophobicContact CG-CD1 4.25Å; K59-I63 WeakPolarHBondContact O-CG1 3.49Å; K59-I63 PolarHBondContact O-N 3.29Å; K60-I63 PolarHBondContact O-N 3.4Å; I63-K66 PolarHBondContact O-N 3.26Å; I63-Q67 PolarHBondContact O-N 3Å
64W67Low64.8Low109 Ų109106.4 Ų106.441%0.41352%0.516SS..Hα-helixtrans-60.9-46.2177.4-176.289.8000112.5K60 R61 R62 Q67 A68 F75K60-W64 WeakPolarHBondContact O-CB 3.33Å; K60-W64 PolarHBondContact O-N 2.93Å; R61-W64 WeakPolarHBondContact O-CB 3.29Å; R61-W64 PolarHBondContact O-N 2.71Å; R62-W64 VanDerWaalsContact C-N 3.31Å; W64-Q67 PolarHBondContact O-N 2.89Å; W64-A68 WeakPolarHBondContact O-CB 3.42Å; W64-A68 PolarHBondContact O-N 3.44Å; W64-F75 AromaticContact CE2-CE2 3.58Å; W64-F75 AromaticContact CE2-CZ 3.66Å; W64-F75 AromaticContact CH2-CZ 3.99Å; W64-F75 HydrophobicContact CH2-CZ 3.99Å; W64-F75 HydrophobicContact CZ2-CE1 4.16Å; W64-F75 AromaticContact CZ2-CE2 3.7Å; W64-F75 HydrophobicContact CZ2-CE2 3.7Å; W64-F75 AromaticContact CZ2-CZ 3.23Å; W64-F75 HydrophobicContact CZ2-CZ 3.23Å; W64-F75 AromaticContact NE1-CE2 3.39Å; W64-F75 AromaticContact NE1-CZ 3.87Å
65L67.2Low64.7Low66 Ų66107 Ų10735%0.34652%0.516SS..Hα-helixtrans-61.9-45.2174.9-74.8169.6000111.1R61 R62 Q67 A68 Y69R61-L65 HydrophobicContact CG-CD1 4.41Å; R61-L65 WeakPolarHBondContact O-CG 3.4Å; R61-L65 PolarHBondContact O-N 3.35Å; R62-L65 PolarHBondContact O-N 2.92Å; L65-Q67 PolarHBondContact O-N 3.38Å; L65-A68 PolarHBondContact O-N 3Å; L65-Y69 HydrophobicContact CB-CE2 4.47Å; L65-Y69 WeakPolarHBondContact O-CD2 3.37Å; L65-Y69 PolarHBondContact O-N 2.79Å; L65-Y69 VanDerWaalsContact O-N 3.1Å
66K67.3Low64.6Low141 Ų141107.4 Ų107.461%0.61352%0.522SS*.Hα-helixtrans-58.8-45.5176.4-77.2-175174.6-169.40111.9R62 I63 Y69 V70R62-K66 WeakPolarHBondContact O-CG 3.32Å; R62-K66 PolarHBondContact O-N 3.47Å; I63-K66 PolarHBondContact O-N 3.26Å; K66-Y69 PolarHBondContact O-N 3.28Å; K66-V70 WeakPolarHBondContact O-CG2 3.14Å; K66-V70 PolarHBondContact O-N 2.89Å
67Q63.5Low63.9Low125 Ų125106.7 Ų106.758%0.58453%0.53SS*.Hα-helixtrans-63.8-41.2176.8-90.2-179.7-15.300112.7I63 W64 L65 Y69 V70 S71I63-Q67 PolarHBondContact O-N 3Å; W64-Q67 PolarHBondContact O-N 2.89Å; L65-Q67 PolarHBondContact O-N 3.38Å; Q67-Y69 VanDerWaalsContact C-N 3.27Å; Q67-Y69 PolarHBondContact O-N 3.14Å; Q67-V70 PolarHBondContact O-N 3.23Å; Q67-S71 PolarHBondContact O-N 3.46Å
68A59.8Low63Low18 Ų18108.2 Ų108.215%0.14953%0.53CS..Hα-helixtrans-61.4-35.4177.900000112.3W64 L65 S71 P72 F75W64-A68 WeakPolarHBondContact O-CB 3.42Å; W64-A68 PolarHBondContact O-N 3.44Å; L65-A68 PolarHBondContact O-N 3Å; A68-S71 CarbonylContact O-C 3.53Å; A68-P72 VanDerWaalsContact O-CA 3.29Å; A68-P72 WeakPolarHBondContact O-CA 3.41Å; A68-F75 HydrophobicContact CB-CD1 4.35Å; A68-F75 HydrophobicContact CB-CD2 4.29Å; A68-F75 HydrophobicContact CB-CG 4.1Å
69Y62.7Low62.4Low186 Ų186106.9 Ų106.973%0.72953%0.531SS*.Hα-helixtrans-78.1-34.9174.9-70.7-64.5000113.7L65 K66 Q67 S71L65-Y69 HydrophobicContact CB-CE2 4.47Å; L65-Y69 WeakPolarHBondContact O-CD2 3.37Å; L65-Y69 PolarHBondContact O-N 2.79Å; L65-Y69 VanDerWaalsContact O-N 3.1Å; K66-Y69 PolarHBondContact O-N 3.28Å; Q67-Y69 VanDerWaalsContact C-N 3.27Å; Q67-Y69 PolarHBondContact O-N 3.14Å; Y69-S71 VanDerWaalsContact C-N 3.34Å
70V63.4Low61.4Low127 Ų127109.5 Ų109.577%0.7754%0.537SS*.Hα-helixtrans-68.2-35.7179.31700000111.2K66 Q67K66-V70 WeakPolarHBondContact O-CG2 3.14Å; K66-V70 PolarHBondContact O-N 2.89Å; Q67-V70 PolarHBondContact O-N 3.23Å
71S62.3Low60.5Low40 Ų40107.3 Ų107.328%0.2853%0.533SS..  trans-144.382.2175.661.50000111.7Q67 A68 Y69 I73 A74 F75Q67-S71 PolarHBondContact O-N 3.46Å; A68-S71 CarbonylContact O-C 3.53Å; Y69-S71 VanDerWaalsContact C-N 3.34Å; S71-I73 PolarHBondContact O-N 2.88Å; S71-A74 PolarHBondContact O-N 3.34Å; S71-F75 WeakPolarHBondContact O-CB 3.48Å; S71-F75 PolarHBondContact O-N 3.47Å
72P61.1Low59.8Low81 Ų81105.7 Ų105.753%0.52654%0.543SS..Hα-helixtrans-55.5-35.9175.8-2230.9000111.7A68 F75 A76A68-P72 VanDerWaalsContact O-CA 3.29Å; A68-P72 WeakPolarHBondContact O-CA 3.41Å; P72-F75 PolarHBondContact O-N 2.95Å; P72-A76 WeakPolarHBondContact O-CB 3.4Å; P72-A76 PolarHBondContact O-N 2.91Å
73I59Low58.9Low81 Ų81100.2 Ų100.242%0.41554%0.541SS..Hα-helixtrans-68.5-48.4-177.2-59.9172.3000111.4S71 F75 A76 I78S71-I73 PolarHBondContact O-N 2.88Å; I73-F75 VanDerWaalsContact C-N 3.26Å; I73-F75 PolarHBondContact O-N 3.45Å; I73-A76 PolarHBondContact O-N 3.08Å; I73-I78 HydrophobicContact CG2-CB 3.72Å; I73-I78 HydrophobicContact CG2-CD1 4.47Å; I73-I78 HydrophobicContact CG2-CG2 3.85Å; I73-I78 WeakPolarHBondContact O-CB 3.2Å; I73-I78 PolarHBondContact O-N 3.03Å; I73-I78 VanDerWaalsContact O-N 3.1Å
74A54Low57.9Low65 Ų65101 Ų10154%0.53755%0.546SS..Hα-helixtrans-68.8-29.7177.900000111.7S71 G77S71-A74 PolarHBondContact O-N 3.34Å; A74-G77 PolarHBondContact O-N 3.45Å
75F53.9Low57.1Low106 Ų106105.5 Ų105.547%0.46557%0.568SS.*Hα-helixtrans-70.1-38.4175.1-177-96.7000112.8W64 A68 S71 P72 I73 G77W64-F75 AromaticContact CE2-CE2 3.58Å; W64-F75 AromaticContact CE2-CZ 3.66Å; W64-F75 AromaticContact CH2-CZ 3.99Å; W64-F75 HydrophobicContact CH2-CZ 3.99Å; W64-F75 HydrophobicContact CZ2-CE1 4.16Å; W64-F75 AromaticContact CZ2-CE2 3.7Å; W64-F75 HydrophobicContact CZ2-CE2 3.7Å; W64-F75 AromaticContact CZ2-CZ 3.23Å; W64-F75 HydrophobicContact CZ2-CZ 3.23Å; W64-F75 AromaticContact NE1-CE2 3.39Å; W64-F75 AromaticContact NE1-CZ 3.87Å; A68-F75 HydrophobicContact CB-CD1 4.35Å; A68-F75 HydrophobicContact CB-CD2 4.29Å; A68-F75 HydrophobicContact CB-CG 4.1Å; S71-F75 WeakPolarHBondContact O-CB 3.48Å; S71-F75 PolarHBondContact O-N 3.47Å; P72-F75 PolarHBondContact O-N 2.95Å; I73-F75 VanDerWaalsContact C-N 3.26Å; I73-F75 PolarHBondContact O-N 3.45Å; F75-G77 PolarHBondContact O-N 3.03Å
76A60.6Low56.4Low67 Ų67106.7 Ų106.755%0.55459%0.588SS**THydrogen-bonded Turntrans-66.40.5171.200000113.4P72 I73 I78P72-A76 WeakPolarHBondContact O-CB 3.4Å; P72-A76 PolarHBondContact O-N 2.91Å; I73-A76 PolarHBondContact O-N 3.08Å; A76-I78 HydrophobicContact CB-CD1 3.99Å; A76-I78 HydrophobicContact CB-CG1 3.99Å; A76-I78 PolarHBondContact O-N 3.39Å
77G53.9Low55.6Low50 Ų50104.5 Ų104.552%0.51559%0.586SS.*THydrogen-bonded Turntrans73.111-176.800000113.5A74 F75 Q79A74-G77 PolarHBondContact O-N 3.45Å; F75-G77 PolarHBondContact O-N 3.03Å; G77-Q79 PolarHBondContact O-N 2.91Å
78I51.6Low55Low89 Ų89108.3 Ų108.346%0.45660%0.595SS.*  trans-77.699178-56.7171.1000107I73 A76 R80I73-I78 HydrophobicContact CG2-CB 3.72Å; I73-I78 HydrophobicContact CG2-CD1 4.47Å; I73-I78 HydrophobicContact CG2-CG2 3.85Å; I73-I78 WeakPolarHBondContact O-CB 3.2Å; I73-I78 PolarHBondContact O-N 3.03Å; I73-I78 VanDerWaalsContact O-N 3.1Å; A76-I78 HydrophobicContact CB-CD1 3.99Å; A76-I78 HydrophobicContact CB-CG1 3.99Å; A76-I78 PolarHBondContact O-N 3.39Å; I78-R80 PolarHBondContact O-N 2.95Å
79Q55.8Low54.7Low159 Ų159113.6 Ų113.674%0.74362%0.621SS**  trans-62130167.6-66.1-160.8-4.600108.1G77 N81G77-Q79 PolarHBondContact O-N 2.91Å; Q79-N81 PolarHBondContact O-N 3.31Å
80R51Low54.4Low196 Ų196109.3 Ų109.374%0.7461%0.614SS**  trans-69.688.8165.7-68.6-177.8-175.6162.81.2105.9I78 T82I78-R80 PolarHBondContact O-N 2.95Å; R80-T82 VanDerWaalsContact C-N 3.26Å; R80-T82 PolarHBondContact O-N 3.04Å
81N52.2Low54.3Low107 Ų107106.9 Ų106.957%0.57260%0.599SS**  trans-62.4100164.7-68.7-2.5000105.4Q79 G83Q79-N81 PolarHBondContact O-N 3.31Å; N81-G83 PolarHBondContact O-N 3.49Å
82T51.6Low54.7Low145 Ų145108 Ų10889%0.8961%0.607SS**THydrogen-bonded Turntrans-71.511.7173.548.70000111.9R80R80-T82 VanDerWaalsContact C-N 3.26Å; R80-T82 PolarHBondContact O-N 3.04Å
83G49.4Very low55.6Low58 Ų58113.8 Ų113.860%0.59862%0.618SS**THydrogen-bonded Turntrans-93.5-40.3-178.900000115.4N81N81-G83 PolarHBondContact O-N 3.49Å
84D48.2Very low56.6Low105 Ų105115.6 Ų115.656%0.56163%0.625SS**  trans-121.3103-159.6-57.6-37.2000112.6A86D84-A86 PolarHBondContact O-N 3.09Å
85K50.1Low57.8Low203 Ų203119.9 Ų119.988%0.88363%0.629SS**THydrogen-bonded Turntrans-66.32.1177.2-71.3179.2177.5171.60114.3
86A52.1Low59.2Low92 Ų92119.5 Ų119.576%0.7663%0.631SS**THydrogen-bonded Turntrans-101.7-17-171.900000115.6D84D84-A86 PolarHBondContact O-N 3.09Å
87T51.9Low60.4Low95 Ų95119.7 Ų119.758%0.58363%0.628SS**SBendtrans-92.34.2-175.754.80000114.4T91T87-T91 PolarHBondContact O-OG1 2.93Å
88R50.7Low61.8Low205 Ų205121.6 Ų121.677%0.77462%0.623SS**Hα-helixtrans-74-25.9-171.5-107.8177.5153.6148.4-6.9114.9
89D54.3Low63.4Low129 Ų129122 Ų12269%0.6962%0.622SS**Hα-helixtrans-87.1-37.7-169.6-70.6-14.2000113.6T91 S92D89-T91 PolarHBondContact O-N 3.12Å; D89-S92 PolarHBondContact O-N 3.1Å; D89-S92 PolarHBondContact O-OG 3.26Å
90V55.2Low65Low96 Ų96120.8 Ų120.858%0.58262%0.616SS**Hα-helixtrans-64.8-43.7-178.3-175.50000111.3S92 R93 E94V90-S92 PolarHBondContact O-N 3.32Å; V90-R93 PolarHBondContact O-N 2.93Å; V90-E94 PolarHBondContact O-N 3.21Å
91T61.7Low67Low75 Ų75117.1 Ų117.146%0.4660%0.603SS.*Hα-helixtrans-58-33.7179.2-45.80000112.4T87 D89 Y95T87-T91 PolarHBondContact O-OG1 2.93Å; D89-T91 PolarHBondContact O-N 3.12Å; T91-Y95 VanDerWaalsContact O-CB 3.24Å; T91-Y95 WeakPolarHBondContact O-CB 3.41Å; T91-Y95 PolarHBondContact O-N 3.26Å
92S70.7Confident68.9Low63 Ų63115.6 Ų115.644%0.44159%0.592SS.*Hα-helixtrans-67.3-42.5-178.775.10000112D89 V90 L96D89-S92 PolarHBondContact O-N 3.1Å; D89-S92 PolarHBondContact O-OG 3.26Å; V90-S92 PolarHBondContact O-N 3.32Å; S92-L96 VanDerWaalsContact O-CG 3.27Å; S92-L96 WeakPolarHBondContact O-CG 3.41Å; S92-L96 PolarHBondContact O-N 3.46Å
93R80.2Confident70.8Confident203 Ų203113.2 Ų113.277%0.76657%0.569SS**Hα-helixtrans-68.3-44.2179.7-175.7178.2-179.7173.30.1111.7V90 L96 S97V90-R93 PolarHBondContact O-N 2.93Å; R93-L96 PolarHBondContact O-N 3.17Å; R93-S97 PolarHBondContact O-N 3.44Å
94E78.8Confident72.9Confident119 Ų119117.7 Ų117.756%0.55657%0.568SS**Hα-helixtrans-62.1-45.1176.9-68.9176.4179.100111.2V90 L96 S97 E98V90-E94 PolarHBondContact O-N 3.21Å; E94-L96 PolarHBondContact O-N 3.48Å; E94-S97 PolarHBondContact O-N 2.88Å; E94-E98 WeakPolarHBondContact O-CG 3.48Å; E94-E98 PolarHBondContact O-N 3.45Å
95Y80.6Confident75.2Confident156 Ų156116.2 Ų116.261%0.61256%0.56SS**Hα-helixtrans-59-44.7175.6176-95.9000112.4T91 E98 F99T91-Y95 VanDerWaalsContact O-CB 3.24Å; T91-Y95 WeakPolarHBondContact O-CB 3.41Å; T91-Y95 PolarHBondContact O-N 3.26Å; Y95-E98 PolarHBondContact O-N 3.18Å; Y95-F99 VanDerWaalsContact O-CB 3.23Å; Y95-F99 WeakPolarHBondContact O-CB 3.47Å; Y95-F99 PolarHBondContact O-N 2.92Å
96L83.3Confident77.3Confident98 Ų98113.7 Ų113.751%0.51355%0.545SS..Hα-helixtrans-64.3-41.2177.7-70.9174.6000111.7S92 R93 E94 F99 E100S92-L96 VanDerWaalsContact O-CG 3.27Å; S92-L96 WeakPolarHBondContact O-CG 3.41Å; S92-L96 PolarHBondContact O-N 3.46Å; R93-L96 PolarHBondContact O-N 3.17Å; E94-L96 PolarHBondContact O-N 3.48Å; L96-F99 PolarHBondContact O-N 2.94Å; L96-E100 WeakPolarHBondContact O-CG 3.49Å; L96-E100 PolarHBondContact O-N 2.93Å
97S84.9Confident79.2Confident70 Ų70116 Ų11649%0.4953%0.534SS..Hα-helixtrans-63.4-45.7177.1-171.60000112.2R93 E94 F99 E100 R101R93-S97 PolarHBondContact O-N 3.44Å; E94-S97 PolarHBondContact O-N 2.88Å; S97-F99 VanDerWaalsContact C-N 3.34Å; S97-F99 PolarHBondContact O-N 3.31Å; S97-E100 PolarHBondContact O-N 2.87Å; S97-R101 WeakPolarHBondContact O-CB 3.46Å; S97-R101 PolarHBondContact O-N 3.37Å
98E84.4Confident81.1Confident90 Ų90116.2 Ų116.242%0.42153%0.528SS..Hα-helixtrans-63.6-40175.3-76.2-66.2128.500111.8E94 Y95 R101 E102E94-E98 WeakPolarHBondContact O-CG 3.48Å; E94-E98 PolarHBondContact O-N 3.45Å; Y95-E98 PolarHBondContact O-N 3.18Å; E98-R101 VanDerWaalsContact CD-CZ 3.46Å; E98-R101 WeakPolarHBondContact O-CB 3.47Å; E98-R101 PolarHBondContact O-N 2.98Å; E98-R101 IonicContact OE1-CZ 3.48Å; E98-R101 IonicContact OE1-NE 3.38Å; E98-R101 IonicContact OE1-NH1 3.99Å; E98-R101 PolarHBondContact OE1-NH1 3.37Å; E98-R101 IonicContact OE1-NH2 3.38Å; E98-R101 IonicContact OE2-CZ 3.22Å; E98-R101 IonicContact OE2-NE 3.57Å; E98-R101 IonicContact OE2-NH1 2.77Å; E98-R101 PolarHBondContact OE2-NH1 3.27Å; E98-R101 IonicContact OE2-NH2 2.86Å; E98-R101 PolarHBondContact OE2-NH2 2.93Å; E98-E102 WeakPolarHBondContact O-CB 3.23Å; E98-E102 PolarHBondContact O-N 2.96Å
99F84.9Confident83Confident99 Ų99109.3 Ų109.343%0.43452%0.515SS..Hα-helixtrans-62.9-43.1175.7177.8-100000112.1Y95 L96 S97 E102 K103Y95-F99 VanDerWaalsContact O-CB 3.23Å; Y95-F99 WeakPolarHBondContact O-CB 3.47Å; Y95-F99 PolarHBondContact O-N 2.92Å; L96-F99 PolarHBondContact O-N 2.94Å; S97-F99 VanDerWaalsContact C-N 3.34Å; S97-F99 PolarHBondContact O-N 3.31Å; F99-E102 PolarHBondContact O-N 3.29Å; F99-K103 HydrophobicContact CE1-CD 4.39Å; F99-K103 VanDerWaalsContact O-CB 3.25Å; F99-K103 WeakPolarHBondContact O-CB 3.45Å; F99-K103 PolarHBondContact O-N 3Å
100E89.2Confident84.9Confident132 Ų132107.1 Ų107.162%0.61751%0.506SS*.Hα-helixtrans-64-41.8174.7-75.4-178.517300111.9L96 S97 K103 R104L96-E100 WeakPolarHBondContact O-CG 3.49Å; L96-E100 PolarHBondContact O-N 2.93Å; S97-E100 PolarHBondContact O-N 2.87Å; E100-K103 PolarHBondContact O-N 2.67Å; E100-R104 WeakPolarHBondContact O-CB 3.2Å; E100-R104 PolarHBondContact O-N 3.07Å
101R92Very high86.6Confident120 Ų120111.4 Ų111.445%0.45351%0.512SS..Hα-helixtrans-59.1-50.9175-169.6-173.580.8-171.34.1111.1S97 E98 K103 R104 L105S97-R101 WeakPolarHBondContact O-CB 3.46Å; S97-R101 PolarHBondContact O-N 3.37Å; E98-R101 VanDerWaalsContact CD-CZ 3.46Å; E98-R101 WeakPolarHBondContact O-CB 3.47Å; E98-R101 PolarHBondContact O-N 2.98Å; E98-R101 IonicContact OE1-CZ 3.48Å; E98-R101 IonicContact OE1-NE 3.38Å; E98-R101 IonicContact OE1-NH1 3.99Å; E98-R101 PolarHBondContact OE1-NH1 3.37Å; E98-R101 IonicContact OE1-NH2 3.38Å; E98-R101 IonicContact OE2-CZ 3.22Å; E98-R101 IonicContact OE2-NE 3.57Å; E98-R101 IonicContact OE2-NH1 2.77Å; E98-R101 PolarHBondContact OE2-NH1 3.27Å; E98-R101 IonicContact OE2-NH2 2.86Å; E98-R101 PolarHBondContact OE2-NH2 2.93Å; R101-K103 PolarHBondContact O-N 3.05Å; R101-R104 WeakPolarHBondContact O-CB 3.5Å; R101-R104 PolarHBondContact O-N 2.98Å; R101-L105 HydrophobicContact CG-CD1 4.36Å; R101-L105 WeakPolarHBondContact O-CG 3.19Å; R101-L105 PolarHBondContact O-N 3.49Å
102E91.9Very high88Confident75 Ų75109.2 Ų109.235%0.3550%0.504SS..Hα-helixtrans-61.4-43.6178.2176.160.4-16700111.5E98 F99 R104 L105 R106E98-E102 WeakPolarHBondContact O-CB 3.23Å; E98-E102 PolarHBondContact O-N 2.96Å; F99-E102 PolarHBondContact O-N 3.29Å; E102-R104 VanDerWaalsContact C-N 3.29Å; E102-R104 PolarHBondContact O-N 2.92Å; E102-L105 PolarHBondContact O-N 3.18Å; E102-R106 WeakPolarHBondContact O-CG 3.46Å; E102-R106 PolarHBondContact O-N 3.38Å; E102-R106 IonicContact OE1-CZ 3.2Å; E102-R106 IonicContact OE1-NE 2.75Å; E102-R106 PolarHBondContact OE1-NE 2.96Å; E102-R106 IonicContact OE1-NH2 2.85Å; E102-R106 PolarHBondContact OE1-NH2 3.38Å
103K93Very high89.1Confident95 Ų95109.4 Ų109.441%0.41350%0.503SS..Hα-helixtrans-60-40175.3-173.2178.4-174.8-179.20111.7F99 E100 R101 R107F99-K103 HydrophobicContact CE1-CD 4.39Å; F99-K103 VanDerWaalsContact O-CB 3.25Å; F99-K103 WeakPolarHBondContact O-CB 3.45Å; F99-K103 PolarHBondContact O-N 3Å; E100-K103 PolarHBondContact O-N 2.67Å; R101-K103 PolarHBondContact O-N 3.05Å; K103-R107 VanDerWaalsContact CE-NH2 3.34Å; K103-R107 VanDerWaalsContact O-CG 3.29Å; K103-R107 WeakPolarHBondContact O-CG 3.44Å; K103-R107 PolarHBondContact O-N 2.9Å; K103-R107 VanDerWaalsContact O-N 3.15Å
104R93.9Very high89.8Confident152 Ų152103.1 Ų103.157%0.57449%0.487SS*.Hα-helixtrans-64.9-46.7174.8-173.3-179.375.1179.12.9111.4E100 R101 E102 R106 R107 Q108E100-R104 WeakPolarHBondContact O-CB 3.2Å; E100-R104 PolarHBondContact O-N 3.07Å; R101-R104 WeakPolarHBondContact O-CB 3.5Å; R101-R104 PolarHBondContact O-N 2.98Å; E102-R104 VanDerWaalsContact C-N 3.29Å; E102-R104 PolarHBondContact O-N 2.92Å; R104-R106 PolarHBondContact O-N 3.23Å; R104-R107 WeakPolarHBondContact O-CB 3.49Å; R104-R107 PolarHBondContact O-N 3.23Å; R104-Q108 WeakPolarHBondContact O-CG 3.49Å; R104-Q108 PolarHBondContact O-N 3.4Å
105L95.2Very high90.5Very high74 Ų7497.9 Ų97.939%0.38746%0.464SS..Hα-helixtrans-60.5-45.1178.7-72.5170.4000111.6R101 E102 R107 Q108 A109R101-L105 HydrophobicContact CG-CD1 4.36Å; R101-L105 WeakPolarHBondContact O-CG 3.19Å; R101-L105 PolarHBondContact O-N 3.49Å; E102-L105 PolarHBondContact O-N 3.18Å; L105-R107 VanDerWaalsContact C-N 3.34Å; L105-R107 PolarHBondContact O-N 3.48Å; L105-Q108 PolarHBondContact O-N 3.15Å; L105-A109 WeakPolarHBondContact O-CB 3.4Å; L105-A109 PolarHBondContact O-N 3.3Å
106R94.4Very high91.1Very high149 Ų14994.3 Ų94.356%0.56246%0.455SS*.Hα-helixtrans-57.7-46.2174.7-72178.7-170.5166.56.9112E102 R104 Q108 A109 T110E102-R106 WeakPolarHBondContact O-CG 3.46Å; E102-R106 PolarHBondContact O-N 3.38Å; E102-R106 IonicContact OE1-CZ 3.2Å; E102-R106 IonicContact OE1-NE 2.75Å; E102-R106 PolarHBondContact OE1-NE 2.96Å; E102-R106 IonicContact OE1-NH2 2.85Å; E102-R106 PolarHBondContact OE1-NH2 3.38Å; R104-R106 PolarHBondContact O-N 3.23Å; R106-Q108 VanDerWaalsContact C-N 3.34Å; R106-Q108 PolarHBondContact O-N 2.89Å; R106-A109 PolarHBondContact O-N 3.35Å; R106-T110 PolarHBondContact O-N 3.25Å; R106-T110 PolarHBondContact O-OG1 3.35Å
107R93Very high91.7Very high140 Ų14097 Ų9753%0.52846%0.463SS..Hα-helixtrans-61.3-41.9176.9-73.1168.7173.9-178.5-6.6112K103 R104 L105 R111K103-R107 VanDerWaalsContact CE-NH2 3.34Å; K103-R107 VanDerWaalsContact O-CG 3.29Å; K103-R107 WeakPolarHBondContact O-CG 3.44Å; K103-R107 PolarHBondContact O-N 2.9Å; K103-R107 VanDerWaalsContact O-N 3.15Å; R104-R107 WeakPolarHBondContact O-CB 3.49Å; R104-R107 PolarHBondContact O-N 3.23Å; L105-R107 VanDerWaalsContact C-N 3.34Å; L105-R107 PolarHBondContact O-N 3.48Å; R107-R111 WeakPolarHBondContact O-CB 3.37Å; R107-R111 VanDerWaalsContact O-CG 3.23Å; R107-R111 WeakPolarHBondContact O-CG 3.39Å; R107-R111 PolarHBondContact O-N 3.43Å
108Q90.7Very high92.1Very high100 Ų10097.6 Ų97.647%0.46746%0.461SS..Hα-helixtrans-63.3-46.2176.2-74.9176-25.200111.3R104 L105 R106 T110 R111 G112R104-Q108 WeakPolarHBondContact O-CG 3.49Å; R104-Q108 PolarHBondContact O-N 3.4Å; L105-Q108 PolarHBondContact O-N 3.15Å; R106-Q108 VanDerWaalsContact C-N 3.34Å; R106-Q108 PolarHBondContact O-N 2.89Å; Q108-T110 PolarHBondContact O-N 3.41Å; Q108-R111 PolarHBondContact O-N 3.15Å; Q108-G112 PolarHBondContact O-N 2.95Å
109A91.8Very high92.5Very high60 Ų6093.4 Ų93.450%0.49644%0.441SS..Hα-helixtrans-59.8-46.7176.400000111.8L105 R106 R111 G112 T113L105-A109 WeakPolarHBondContact O-CB 3.4Å; L105-A109 PolarHBondContact O-N 3.3Å; R106-A109 PolarHBondContact O-N 3.35Å; A109-R111 PolarHBondContact O-N 2.97Å; A109-G112 PolarHBondContact O-N 3.38Å; A109-T113 WeakPolarHBondContact O-CG2 3.16Å; A109-T113 PolarHBondContact O-N 2.68Å; A109-T113 PolarHBondContact O-OG1 2.69Å
110T92.9Very high92.9Very high83 Ų8391.3 Ų91.351%0.50944%0.436SS..Hα-helixtrans-62.9-40.3176.5-54.40000112.2R106 Q108 G112 T113 V114R106-T110 PolarHBondContact O-N 3.25Å; R106-T110 PolarHBondContact O-OG1 3.35Å; Q108-T110 PolarHBondContact O-N 3.41Å; T110-G112 VanDerWaalsContact C-N 3.34Å; T110-T113 WeakPolarHBondContact CA-OG1 3.32Å; T110-T113 PolarHBondContact O-N 3.21Å; T110-T113 PolarHBondContact O-OG1 2.85Å; T110-V114 HydrophobicContact CG2-CG2 4.33Å; T110-V114 WeakPolarHBondContact O-CB 3.48Å; T110-V114 WeakPolarHBondContact O-CG2 3.45Å; T110-V114 PolarHBondContact O-N 2.75Å
111R90.7Very high93.1Very high187 Ų18791.7 Ų91.771%0.70644%0.436SS*.Hα-helixtrans-63-42.5174.9-75.4172.3-179.4-175.7-1111.3R107 Q108 A109 V114 A115R107-R111 WeakPolarHBondContact O-CB 3.37Å; R107-R111 VanDerWaalsContact O-CG 3.23Å; R107-R111 WeakPolarHBondContact O-CG 3.39Å; R107-R111 PolarHBondContact O-N 3.43Å; Q108-R111 PolarHBondContact O-N 3.15Å; A109-R111 PolarHBondContact O-N 2.97Å; R111-V114 PolarHBondContact O-N 2.91Å; R111-A115 VanDerWaalsContact O-CB 3.31Å; R111-A115 WeakPolarHBondContact O-CB 3.45Å; R111-A115 PolarHBondContact O-N 3.38Å
112G91.2Very high93.1Very high28 Ų2890.7 Ų90.729%0.28944%0.436SS..Hα-helixtrans-61.4-46.617600000112.4Q108 A109 T110 A115 L116Q108-G112 PolarHBondContact O-N 2.95Å; A109-G112 PolarHBondContact O-N 3.38Å; T110-G112 VanDerWaalsContact C-N 3.34Å; G112-A115 PolarHBondContact O-N 2.88Å; G112-L116 WeakPolarHBondContact O-CG 3.25Å; G112-L116 PolarHBondContact O-N 3.21Å
113T94.7Very high93.1Very high67 Ų6788.5 Ų88.541%0.41143%0.426SS..Hα-helixtrans-64.3-44.2177.556.40000111.8A109 T110 A115 L116 F117A109-T113 WeakPolarHBondContact O-CG2 3.16Å; A109-T113 PolarHBondContact O-N 2.68Å; A109-T113 PolarHBondContact O-OG1 2.69Å; T110-T113 WeakPolarHBondContact CA-OG1 3.32Å; T110-T113 PolarHBondContact O-N 3.21Å; T110-T113 PolarHBondContact O-OG1 2.85Å; T113-A115 VanDerWaalsContact C-N 3.34Å; T113-A115 PolarHBondContact O-N 3.47Å; T113-L116 WeakPolarHBondContact O-CB 3.36Å; T113-L116 PolarHBondContact O-N 3.23Å; T113-F117 WeakPolarHBondContact O-CD2 3.29Å; T113-F117 PolarHBondContact O-N 2.89Å
114V94.3Very high93Very high71 Ų7189.9 Ų89.943%0.4343%0.434SS..Hα-helixtrans-61.5-42.5176.3170.50000111.3T110 R111 L116 F117 N118T110-V114 HydrophobicContact CG2-CG2 4.33Å; T110-V114 WeakPolarHBondContact O-CB 3.48Å; T110-V114 WeakPolarHBondContact O-CG2 3.45Å; T110-V114 PolarHBondContact O-N 2.75Å; R111-V114 PolarHBondContact O-N 2.91Å; V114-L116 VanDerWaalsContact C-N 3.35Å; V114-L116 PolarHBondContact O-N 3.4Å; V114-F117 PolarHBondContact O-N 3.31Å; V114-N118 WeakPolarHBondContact CG1-ND2 3.49Å; V114-N118 VanDerWaalsContact O-CB 3.32Å; V114-N118 WeakPolarHBondContact O-CB 3.44Å; V114-N118 PolarHBondContact O-N 3.49Å; V114-N118 PolarHBondContact O-ND2 3.33Å
115A92.8Very high92.9Very high9 Ų985.8 Ų85.87%0.07443%0.426CS..Hα-helixtrans-60.8-43176.200000111.9R111 G112 T113 N118 A119 L156 I160R111-A115 VanDerWaalsContact O-CB 3.31Å; R111-A115 WeakPolarHBondContact O-CB 3.45Å; R111-A115 PolarHBondContact O-N 3.38Å; G112-A115 PolarHBondContact O-N 2.88Å; T113-A115 VanDerWaalsContact C-N 3.34Å; T113-A115 PolarHBondContact O-N 3.47Å; A115-N118 PolarHBondContact O-N 2.86Å; A115-A119 VanDerWaalsContact O-CB 3.28Å; A115-A119 WeakPolarHBondContact O-CB 3.5Å; A115-A119 PolarHBondContact O-N 2.9Å; A115-L156 HydrophobicContact CB-CD1 4.2Å; A115-I160 HydrophobicContact CB-CD1 4.48Å; A115-I160 HydrophobicContact CB-CG1 3.72Å
116L94.8Very high92.6Very high82 Ų8284 Ų8443%0.42942%0.417SS..Hα-helixtrans-60-51.4174.8-73.7166.9000111.8G112 T113 V114 N118 A119 V120 F152 L156G112-L116 WeakPolarHBondContact O-CG 3.25Å; G112-L116 PolarHBondContact O-N 3.21Å; T113-L116 WeakPolarHBondContact O-CB 3.36Å; T113-L116 PolarHBondContact O-N 3.23Å; V114-L116 VanDerWaalsContact C-N 3.35Å; V114-L116 PolarHBondContact O-N 3.4Å; L116-N118 VanDerWaalsContact C-N 3.32Å; L116-N118 PolarHBondContact O-N 3.38Å; L116-A119 PolarHBondContact O-N 3.4Å; L116-V120 WeakPolarHBondContact O-CG2 3.25Å; L116-V120 PolarHBondContact O-N 3.15Å; L116-F152 HydrophobicContact CD2-CZ 4.22Å; L116-L156 HydrophobicContact CD2-CD1 3.78Å; L116-L156 HydrophobicContact CD2-CD2 3.82Å; L116-L156 HydrophobicContact CD2-CG 4.48Å; L116-L156 HydrophobicContact CG-CD1 4.15Å
117F95.4Very high92.3Very high154 Ų15478 Ų7868%0.67540%0.396SS*.Hα-helixtrans-61.7-40.9179.6-79-66.9000112.4T113 V114 K121T113-F117 WeakPolarHBondContact O-CD2 3.29Å; T113-F117 PolarHBondContact O-N 2.89Å; V114-F117 PolarHBondContact O-N 3.31Å; F117-K121 VanDerWaalsContact O-CB 3.29Å; F117-K121 WeakPolarHBondContact O-CB 3.36Å; F117-K121 PolarHBondContact O-N 2.97Å
118N92.7Very high92.1Very high83 Ų8372.7 Ų72.744%0.44439%0.385SS..Hα-helixtrans-66.2-42.9177.9-72.1-17.9000111.6V114 A115 L116 K121 Q122V114-N118 WeakPolarHBondContact CG1-ND2 3.49Å; V114-N118 VanDerWaalsContact O-CB 3.32Å; V114-N118 WeakPolarHBondContact O-CB 3.44Å; V114-N118 PolarHBondContact O-N 3.49Å; V114-N118 PolarHBondContact O-ND2 3.33Å; A115-N118 PolarHBondContact O-N 2.86Å; L116-N118 VanDerWaalsContact C-N 3.32Å; L116-N118 PolarHBondContact O-N 3.38Å; N118-K121 PolarHBondContact O-N 3.4Å; N118-Q122 WeakPolarHBondContact O-CB 3.44Å; N118-Q122 VanDerWaalsContact O-CG 3.27Å; N118-Q122 WeakPolarHBondContact O-CG 3.39Å; N118-Q122 PolarHBondContact O-N 2.92Å
119A92.9Very high92Very high2 Ų275.4 Ų75.42%0.01739%0.39CS..Hα-helixtrans-62.7-45.3176.900000111.6A115 L116 K121 Q122 H123 F152 R155 L156A115-A119 VanDerWaalsContact O-CB 3.28Å; A115-A119 WeakPolarHBondContact O-CB 3.5Å; A115-A119 PolarHBondContact O-N 2.9Å; L116-A119 PolarHBondContact O-N 3.4Å; A119-K121 PolarHBondContact O-N 3.41Å; A119-Q122 PolarHBondContact O-N 2.93Å; A119-H123 VanDerWaalsContact O-CB 3.28Å; A119-H123 WeakPolarHBondContact O-CB 3.48Å; A119-H123 PolarHBondContact O-N 2.89Å; A119-F152 HydrophobicContact CB-CD2 4.35Å; A119-F152 HydrophobicContact CB-CE2 3.75Å; A119-F152 HydrophobicContact CB-CZ 4.32Å; A119-R155 HydrophobicContact CB-CB 4.34Å; A119-L156 HydrophobicContact CB-CB 4.05Å; A119-L156 HydrophobicContact CB-CD1 4.01Å
120V93.1Very high91.8Very high54 Ų5476.4 Ų76.433%0.32739%0.385SS..Hα-helixtrans-60.2-48.6175.8171.40000110.4L116 Q122 H123 Q124 F152L116-V120 WeakPolarHBondContact O-CG2 3.25Å; L116-V120 PolarHBondContact O-N 3.15Å; V120-Q122 VanDerWaalsContact C-N 3.33Å; V120-Q122 PolarHBondContact O-N 3.36Å; V120-H123 PolarHBondContact O-N 3.49Å; V120-Q124 HydrophobicContact CG1-CG 4.27Å; V120-Q124 WeakPolarHBondContact O-CB 3.37Å; V120-Q124 WeakPolarHBondContact O-CG 3.13Å; V120-Q124 PolarHBondContact O-N 3.13Å; V120-F152 HydrophobicContact CB-CE2 4.44Å; V120-F152 HydrophobicContact CG2-CE2 3.57Å; V120-F152 HydrophobicContact CG2-CZ 4.14Å
121K94.3Very high91.4Very high141 Ų14175 Ų7561%0.61337%0.374SS*.Hα-helixtrans-58.8-45.2178.9-177.1177.7-178.9179.70111.4F117 N118 A119 T125F117-K121 VanDerWaalsContact O-CB 3.29Å; F117-K121 WeakPolarHBondContact O-CB 3.36Å; F117-K121 PolarHBondContact O-N 2.97Å; N118-K121 PolarHBondContact O-N 3.4Å; A119-K121 PolarHBondContact O-N 3.41Å; K121-T125 VanDerWaalsContact O-CB 3.27Å; K121-T125 WeakPolarHBondContact O-CB 3.37Å; K121-T125 PolarHBondContact O-N 3.4Å; K121-T125 PolarHBondContact O-OG1 2.79Å
122Q92.3Very high91.1Very high98 Ų9874 Ų7446%0.45838%0.377SS..Hα-helixtrans-64.5-43.7178.3-75.41780.100112N118 A119 V120 T125 N126N118-Q122 WeakPolarHBondContact O-CB 3.44Å; N118-Q122 VanDerWaalsContact O-CG 3.27Å; N118-Q122 WeakPolarHBondContact O-CG 3.39Å; N118-Q122 PolarHBondContact O-N 2.92Å; A119-Q122 PolarHBondContact O-N 2.93Å; V120-Q122 VanDerWaalsContact C-N 3.33Å; V120-Q122 PolarHBondContact O-N 3.36Å; Q122-T125 PolarHBondContact O-N 3.49Å; Q122-N126 VanDerWaalsContact O-CB 3.3Å; Q122-N126 WeakPolarHBondContact O-CB 3.49Å; Q122-N126 PolarHBondContact O-N 3.26Å
123H91.1Very high90.6Very high29 Ų2975.4 Ų75.413%0.13439%0.392CS..Hα-helixtrans-60.8-50.5177.4-176.565.8000111.1A119 V120 T125 N126 I127 V147 D151 F152A119-H123 VanDerWaalsContact O-CB 3.28Å; A119-H123 WeakPolarHBondContact O-CB 3.48Å; A119-H123 PolarHBondContact O-N 2.89Å; V120-H123 PolarHBondContact O-N 3.49Å; H123-T125 PolarHBondContact O-N 3.27Å; H123-N126 WeakPolarHBondContact O-CB 3.23Å; H123-N126 PolarHBondContact O-N 2.98Å; H123-I127 WeakPolarHBondContact NE2-CD1 3.23Å; H123-I127 WeakPolarHBondContact O-CG1 3.3Å; H123-I127 PolarHBondContact O-N 3.25Å; H123-V147 VanDerWaalsContact CE1-CG1 3.5Å; H123-V147 WeakPolarHBondContact CE1-CG1 3.33Å; H123-V147 WeakPolarHBondContact NE2-CG1 3.2Å; H123-D151 IonicContact CE1-OD2 3.21Å; H123-D151 PolarHBondContact CE1-OD2 3.38Å; H123-D151 IonicContact CG-OD2 3.7Å; H123-D151 IonicContact ND1-OD2 2.68Å; H123-D151 PolarHBondContact ND1-OD2 2.86Å; H123-F152 HydrophobicContact CB-CD2 4.42Å
124Q91.4Very high89.8Confident124 Ų12473 Ų7358%0.57938%0.378SS*.Hα-helixtrans-61.3-41.9176-70.9174.2-17.300112.6V120 N126 I127 G128V120-Q124 HydrophobicContact CG1-CG 4.27Å; V120-Q124 WeakPolarHBondContact O-CB 3.37Å; V120-Q124 WeakPolarHBondContact O-CG 3.13Å; V120-Q124 PolarHBondContact O-N 3.13Å; Q124-N126 VanDerWaalsContact C-N 3.3Å; Q124-N126 PolarHBondContact O-N 3.36Å; Q124-I127 PolarHBondContact O-N 3.44Å; Q124-G128 PolarHBondContact O-N 2.87Å
125T91.6Very high89Confident67 Ų6778.9 Ų78.941%0.41140%0.397SS..Hα-helixtrans-67.3-33.4177.7-54.80000111.6K121 Q122 H123 R129K121-T125 VanDerWaalsContact O-CB 3.27Å; K121-T125 WeakPolarHBondContact O-CB 3.37Å; K121-T125 PolarHBondContact O-N 3.4Å; K121-T125 PolarHBondContact O-OG1 2.79Å; Q122-T125 PolarHBondContact O-N 3.49Å; H123-T125 PolarHBondContact O-N 3.27Å; T125-R129 WeakPolarHBondContact O-CG 3.42Å; T125-R129 PolarHBondContact O-N 3.33Å; T125-R129 VanDerWaalsContact O-N 3.1Å; T125-R129 PolarHBondContact O-NE 3.37Å
126N88.9Confident88.2Confident35 Ų3582.3 Ų82.319%0.18742%0.418CS..Hα-helixtrans-69.5-48.4175.8-172.353.1000111Q122 H123 Q124 G128 R129 Q130 R155Q122-N126 VanDerWaalsContact O-CB 3.3Å; Q122-N126 WeakPolarHBondContact O-CB 3.49Å; Q122-N126 PolarHBondContact O-N 3.26Å; H123-N126 WeakPolarHBondContact O-CB 3.23Å; H123-N126 PolarHBondContact O-N 2.98Å; Q124-N126 VanDerWaalsContact C-N 3.3Å; Q124-N126 PolarHBondContact O-N 3.36Å; N126-G128 VanDerWaalsContact C-N 3.34Å; N126-G128 PolarHBondContact O-N 3.47Å; N126-R129 PolarHBondContact O-N 3.35Å; N126-Q130 PolarHBondContact ND2-NE2 2.85Å; N126-Q130 WeakPolarHBondContact O-CG 3.29Å; N126-Q130 PolarHBondContact O-N 3.4Å; N126-R155 PolarHBondContact ND2-NH2 2.93Å
127I88.9Confident87.3Confident25 Ų2580.3 Ų80.313%0.12842%0.416CS..Hα-helixtrans-59.6-46.2175.6-66165000110.3H123 Q124 R129 Q130 L131 L144 V147H123-I127 WeakPolarHBondContact NE2-CD1 3.23Å; H123-I127 WeakPolarHBondContact O-CG1 3.3Å; H123-I127 PolarHBondContact O-N 3.25Å; Q124-I127 PolarHBondContact O-N 3.44Å; I127-R129 VanDerWaalsContact C-N 3.29Å; I127-R129 PolarHBondContact O-N 2.87Å; I127-Q130 WeakPolarHBondContact O-CB 3.48Å; I127-Q130 PolarHBondContact O-N 2.98Å; I127-Q130 VanDerWaalsContact O-N 3.09Å; I127-L131 HydrophobicContact CG2-CD1 3.79Å; I127-L131 HydrophobicContact CG2-CG 4.24Å; I127-L131 WeakPolarHBondContact O-CG 3.43Å; I127-L131 PolarHBondContact O-N 3.03Å; I127-L144 HydrophobicContact CG2-CD2 4.48Å; I127-V147 HydrophobicContact CD1-CB 4.37Å; I127-V147 HydrophobicContact CD1-CG1 3.65Å; I127-V147 HydrophobicContact CD1-CG2 3.69Å; I127-V147 HydrophobicContact CG1-CG2 3.76Å
128G88.4Confident86.6Confident28 Ų2880 Ų8029%0.28942%0.415SS..Hα-helixtrans-59-38.3177.400000112.9Q124 N126 Q132Q124-G128 PolarHBondContact O-N 2.87Å; N126-G128 VanDerWaalsContact C-N 3.34Å; N126-G128 PolarHBondContact O-N 3.47Å; G128-Q132 VanDerWaalsContact O-CG 3.31Å; G128-Q132 WeakPolarHBondContact O-CG 3.21Å; G128-Q132 PolarHBondContact O-N 3.39Å
129R88.3Confident85.9Confident157 Ų15780.2 Ų80.259%0.59241%0.413SS*.Hα-helixtrans-68.4-38.7173.6-83.1-174.8-81.4171.4-8.3112.8T125 N126 I127 Q132 G133T125-R129 WeakPolarHBondContact O-CG 3.42Å; T125-R129 PolarHBondContact O-N 3.33Å; T125-R129 VanDerWaalsContact O-N 3.1Å; T125-R129 PolarHBondContact O-NE 3.37Å; N126-R129 PolarHBondContact O-N 3.35Å; I127-R129 VanDerWaalsContact C-N 3.29Å; I127-R129 PolarHBondContact O-N 2.87Å; R129-Q132 PolarHBondContact O-N 3.5Å; R129-G133 PolarHBondContact O-N 2.92Å
130Q86.4Confident85.3Confident80 Ų8084.2 Ų84.237%0.37443%0.432SS..Hα-helixtrans-64-43.2175.4-69.8174.9-3.500110.9N126 I127 G133 S134 I143N126-Q130 PolarHBondContact ND2-NE2 2.85Å; N126-Q130 WeakPolarHBondContact O-CG 3.29Å; N126-Q130 PolarHBondContact O-N 3.4Å; I127-Q130 WeakPolarHBondContact O-CB 3.48Å; I127-Q130 PolarHBondContact O-N 2.98Å; I127-Q130 VanDerWaalsContact O-N 3.09Å; Q130-G133 PolarHBondContact O-N 3.29Å; Q130-S134 PolarHBondContact O-N 3.29Å; Q130-I143 HydrophobicContact CB-CD1 4.11Å; Q130-I143 HydrophobicContact CB-CG1 4.41Å; Q130-I143 HydrophobicContact CB-CG2 3.81Å; Q130-I143 WeakPolarHBondContact O-CD1 3.37Å
131L85.4Confident84.7Confident53 Ų5387.7 Ų87.728%0.27744%0.444SS..Hα-helixtrans-68.2-33.5177.4-69.1172.1000113.5I127 G133 S134 E140 I143 L144I127-L131 HydrophobicContact CG2-CD1 3.79Å; I127-L131 HydrophobicContact CG2-CG 4.24Å; I127-L131 WeakPolarHBondContact O-CG 3.43Å; I127-L131 PolarHBondContact O-N 3.03Å; L131-G133 PolarHBondContact O-N 2.87Å; L131-S134 WeakPolarHBondContact CA-OG 3.42Å; L131-S134 PolarHBondContact O-N 2.73Å; L131-S134 PolarHBondContact O-OG 3.43Å; L131-E140 HydrophobicContact CD2-CB 3.84Å; L131-E140 HydrophobicContact CD2-CG 3.89Å; L131-I143 HydrophobicContact CD2-CB 4.42Å; L131-I143 HydrophobicContact CD2-CG2 4.22Å; L131-I143 HydrophobicContact CG-CG2 4.44Å; L131-L144 HydrophobicContact CD2-CG 4.48Å
132Q85.3Confident84.2Confident168 Ų16888.4 Ų88.479%0.78544%0.443SS*.Hα-helixtrans-69.2-25.4173.1-76.4176.5000112.7G128 R129G128-Q132 VanDerWaalsContact O-CG 3.31Å; G128-Q132 WeakPolarHBondContact O-CG 3.21Å; G128-Q132 PolarHBondContact O-N 3.39Å; R129-Q132 PolarHBondContact O-N 3.5Å
133G80.2Confident83.6Confident57 Ų5785 Ų8559%0.58843%0.428SS*.Hα-helixtrans-83.3-19177.300000114.1R129 Q130 L131R129-G133 PolarHBondContact O-N 2.92Å; Q130-G133 PolarHBondContact O-N 3.29Å; L131-G133 PolarHBondContact O-N 2.87Å
134S77.6Confident83.1Confident17 Ų1788.3 Ų88.312%0.11945%0.446CS..  trans-74.3138.3177.443.40000111.6Q130 L131 E139 E140Q130-S134 PolarHBondContact O-N 3.29Å; L131-S134 WeakPolarHBondContact CA-OG 3.42Å; L131-S134 PolarHBondContact O-N 2.73Å; L131-S134 PolarHBondContact O-OG 3.43Å; S134-E139 WeakPolarHBondContact CA-OE2 3.25Å; S134-E140 WeakPolarHBondContact OG-CG 3.23Å
135K77.1Confident82.6Confident193 Ų19387.8 Ų87.884%0.83945%0.451SS*.  trans-101.7-12.8-178.5-64.1179.4-177.1176.90112.7E139K135-E139 PolarHBondContact N-OE2 2.91Å
136T76.4Confident82Confident82 Ų8290 Ų9050%0.50346%0.457SS..SBendtrans-140.4143.6-171.6-56.80000110F138 E139 E140T136-F138 HydrophobicContact CG2-CB 4.26Å; T136-F138 PolarHBondContact O-N 2.79Å; T136-F138 VanDerWaalsContact O-N 3.13Å; T136-E139 WeakPolarHBondContact O-CB 3.21Å; T136-E139 PolarHBondContact O-N 3.35Å; T136-E140 PolarHBondContact O-N 2.8Å
137G76.9Confident81.5Confident39 Ų3990.7 Ų90.740%0.40246%0.463SS..Hα-helixtrans-56.9-29.5179.200000114.1E139 E140 E141G137-E139 VanDerWaalsContact C-N 3.34Å; G137-E139 PolarHBondContact O-N 3.5Å; G137-E140 WeakPolarHBondContact O-CB 3.39Å; G137-E140 PolarHBondContact O-N 3.33Å; G137-E141 PolarHBondContact O-N 2.86Å
138F79.1Confident81.1Confident149 Ų14992.8 Ų92.865%0.65448%0.476SS*.Hα-helixtrans-65.2-35.3173.9-173.8-99.7000113.1T136 R142T136-F138 HydrophobicContact CG2-CB 4.26Å; T136-F138 PolarHBondContact O-N 2.79Å; T136-F138 VanDerWaalsContact O-N 3.13Å; F138-R142 WeakPolarHBondContact O-CB 3.13Å; F138-R142 PolarHBondContact O-N 3.35Å
139E78.2Confident80.8Confident87 Ų8797.1 Ų97.141%0.40750%0.498SS..Hα-helixtrans-69.4-37.7174.5-65.9179.6155.400110.6S134 K135 T136 G137 R142 I143S134-E139 WeakPolarHBondContact CA-OE2 3.25Å; K135-E139 PolarHBondContact N-OE2 2.91Å; T136-E139 WeakPolarHBondContact O-CB 3.21Å; T136-E139 PolarHBondContact O-N 3.35Å; G137-E139 VanDerWaalsContact C-N 3.34Å; G137-E139 PolarHBondContact O-N 3.5Å; E139-R142 PolarHBondContact O-N 3.31Å; E139-I143 WeakPolarHBondContact O-CD1 3.48Å; E139-I143 VanDerWaalsContact O-CG1 3.22Å; E139-I143 WeakPolarHBondContact O-CG1 3.36Å; E139-I143 PolarHBondContact O-N 2.87Å
140E79.9Confident80.7Confident86 Ų8692.5 Ų92.540%0.40249%0.489SS..Hα-helixtrans-61.2-47.7174.6-65.3176.5-174.800111.6L131 S134 T136 G137 R142 I143 L144L131-E140 HydrophobicContact CD2-CB 3.84Å; L131-E140 HydrophobicContact CD2-CG 3.89Å; S134-E140 WeakPolarHBondContact OG-CG 3.23Å; T136-E140 PolarHBondContact O-N 2.8Å; G137-E140 WeakPolarHBondContact O-CB 3.39Å; G137-E140 PolarHBondContact O-N 3.33Å; E140-R142 VanDerWaalsContact C-N 3.31Å; E140-R142 PolarHBondContact O-N 2.82Å; E140-I143 PolarHBondContact O-N 3.41Å; E140-L144 WeakPolarHBondContact O-CG 3.34Å; E140-L144 PolarHBondContact O-N 3.22Å
141E81.8Confident80.7Confident126 Ų12690.9 Ų90.959%0.58948%0.483SS*.Hα-helixtrans-60.2-41.1175.5-73.2-180-178.500111.9G137 L144 T145G137-E141 PolarHBondContact O-N 2.86Å; E141-L144 PolarHBondContact O-N 3.27Å; E141-T145 WeakPolarHBondContact O-CG2 3.44Å; E141-T145 PolarHBondContact O-N 3.43Å; E141-T145 PolarHBondContact O-OG1 2.89Å
142R82.3Confident80.9Confident157 Ų15790.5 Ų90.559%0.59248%0.479SS*.Hα-helixtrans-64.6-40.4176.1-171.5179.6-179.9-167.30.4112.2F138 E139 E140 T145 Q146F138-R142 WeakPolarHBondContact O-CB 3.13Å; F138-R142 PolarHBondContact O-N 3.35Å; E139-R142 PolarHBondContact O-N 3.31Å; E140-R142 VanDerWaalsContact C-N 3.31Å; E140-R142 PolarHBondContact O-N 2.82Å; R142-T145 WeakPolarHBondContact CA-OG1 3Å; R142-T145 PolarHBondContact O-OG1 3.01Å; R142-Q146 VanDerWaalsContact O-CG 3.29Å; R142-Q146 WeakPolarHBondContact O-CG 3.24Å; R142-Q146 PolarHBondContact O-N 2.88Å
143I80.6Confident81.1Confident25 Ų2587.2 Ų87.213%0.12847%0.467CS..Hα-helixtrans-62.8-48.9175.9-71.5160.1000109.5Q130 L131 E139 E140 T145 Q146 V147Q130-I143 HydrophobicContact CB-CD1 4.11Å; Q130-I143 HydrophobicContact CB-CG1 4.41Å; Q130-I143 HydrophobicContact CB-CG2 3.81Å; Q130-I143 WeakPolarHBondContact O-CD1 3.37Å; L131-I143 HydrophobicContact CD2-CB 4.42Å; L131-I143 HydrophobicContact CD2-CG2 4.22Å; L131-I143 HydrophobicContact CG-CG2 4.44Å; E139-I143 WeakPolarHBondContact O-CD1 3.48Å; E139-I143 VanDerWaalsContact O-CG1 3.22Å; E139-I143 WeakPolarHBondContact O-CG1 3.36Å; E139-I143 PolarHBondContact O-N 2.87Å; E140-I143 PolarHBondContact O-N 3.41Å; I143-T145 VanDerWaalsContact C-N 3.33Å; I143-T145 PolarHBondContact O-N 3.47Å; I143-Q146 PolarHBondContact O-N 3.4Å; I143-Q146 VanDerWaalsContact O-N 3.11Å; I143-V147 WeakPolarHBondContact O-CG2 3.34Å; I143-V147 PolarHBondContact O-N 3.1Å
144L80.6Confident81.5Confident100 Ų10089.5 Ų89.552%0.52447%0.465SS..Hα-helixtrans-63.2-36.2-178.8-69.6173.5000113.1I127 L131 E140 E141 Q146 V147I127-L144 HydrophobicContact CG2-CD2 4.48Å; L131-L144 HydrophobicContact CD2-CG 4.48Å; E140-L144 WeakPolarHBondContact O-CG 3.34Å; E140-L144 PolarHBondContact O-N 3.22Å; E141-L144 PolarHBondContact O-N 3.27Å; L144-Q146 VanDerWaalsContact C-N 3.31Å; L144-Q146 PolarHBondContact O-N 3.45Å; L144-V147 WeakPolarHBondContact O-CB 3.27Å; L144-V147 PolarHBondContact O-N 3.28Å
145T81.3Confident82Confident112 Ų11291.2 Ų91.269%0.68747%0.469SS*.Hα-helixtrans-72.3-23.4175.849.60000113.4E141 R142 I143E141-T145 WeakPolarHBondContact O-CG2 3.44Å; E141-T145 PolarHBondContact O-N 3.43Å; E141-T145 PolarHBondContact O-OG1 2.89Å; R142-T145 WeakPolarHBondContact CA-OG1 3Å; R142-T145 PolarHBondContact O-OG1 3.01Å; I143-T145 VanDerWaalsContact C-N 3.33Å; I143-T145 PolarHBondContact O-N 3.47Å
146Q78.4Confident82.6Confident113 Ų11383.2 Ų83.253%0.52844%0.435SS..Hα-helixtrans-83.4-13.8174.6-72.4177.75.800113.6R142 I143 L144 T148R142-Q146 VanDerWaalsContact O-CG 3.29Å; R142-Q146 WeakPolarHBondContact O-CG 3.24Å; R142-Q146 PolarHBondContact O-N 2.88Å; I143-Q146 PolarHBondContact O-N 3.4Å; I143-Q146 VanDerWaalsContact O-N 3.11Å; L144-Q146 VanDerWaalsContact C-N 3.31Å; L144-Q146 PolarHBondContact O-N 3.45Å; Q146-T148 PolarHBondContact O-N 3.24Å
147V78.6Confident83.1Confident51 Ų5182.7 Ų82.731%0.30944%0.435SS..  trans-65.5100.7174.5178.90000109H123 I127 I143 L144H123-V147 VanDerWaalsContact CE1-CG1 3.5Å; H123-V147 WeakPolarHBondContact CE1-CG1 3.33Å; H123-V147 WeakPolarHBondContact NE2-CG1 3.2Å; I127-V147 HydrophobicContact CD1-CB 4.37Å; I127-V147 HydrophobicContact CD1-CG1 3.65Å; I127-V147 HydrophobicContact CD1-CG2 3.69Å; I127-V147 HydrophobicContact CG1-CG2 3.76Å; I143-V147 WeakPolarHBondContact O-CG2 3.34Å; I143-V147 PolarHBondContact O-N 3.1Å; L144-V147 WeakPolarHBondContact O-CB 3.27Å; L144-V147 PolarHBondContact O-N 3.28Å
148T79.9Confident83.4Confident68 Ų6884.9 Ų84.942%0.41745%0.449SS..  trans-105.7154.1-178.3480000111Q146 S150 D151Q146-T148 PolarHBondContact O-N 3.24Å; T148-S150 WeakPolarHBondContact CB-OG 3.42Å; T148-S150 PolarHBondContact O-N 3.27Å; T148-S150 PolarHBondContact OG1-OG 3.33Å; T148-D151 PolarHBondContact O-N 3.19Å
149T82.2Confident83.2Confident120 Ų12080.3 Ų80.374%0.73645%0.445SS*.Hα-helixtrans-59.9-24.5173.852.80000112.3F152 L153T149-F152 PolarHBondContact O-N 3.18Å; T149-L153 VanDerWaalsContact O-CG 3.3Å; T149-L153 WeakPolarHBondContact O-CG 3.48Å; T149-L153 PolarHBondContact O-N 3Å; T149-L153 VanDerWaalsContact O-N 3.08Å
150S87Confident83.2Confident59 Ų5980.2 Ų80.241%0.41345%0.446SS..Hα-helixtrans-65.4-42.8176.7450000113.4T148 F152 L153 D154T148-S150 WeakPolarHBondContact CB-OG 3.42Å; T148-S150 PolarHBondContact O-N 3.27Å; T148-S150 PolarHBondContact OG1-OG 3.33Å; S150-F152 VanDerWaalsContact C-N 3.26Å; S150-F152 PolarHBondContact O-N 3.35Å; S150-L153 PolarHBondContact O-N 2.72Å; S150-L153 VanDerWaalsContact O-N 3.08Å; S150-D154 PolarHBondContact O-N 3.43Å
151D86.9Confident82.5Confident46 Ų4681.2 Ų81.225%0.24646%0.463CS..Hα-helixtrans-61.2-37.8178173.873.3000111.4H123 T148 R155H123-D151 IonicContact CE1-OD2 3.21Å; H123-D151 PolarHBondContact CE1-OD2 3.38Å; H123-D151 IonicContact CG-OD2 3.7Å; H123-D151 IonicContact ND1-OD2 2.68Å; H123-D151 PolarHBondContact ND1-OD2 2.86Å; T148-D151 PolarHBondContact O-N 3.19Å; D151-R155 VanDerWaalsContact O-CG 3.29Å; D151-R155 WeakPolarHBondContact O-CG 3.44Å; D151-R155 PolarHBondContact O-N 2.88Å; D151-R155 IonicContact OD1-CZ 2.67Å; D151-R155 IonicContact OD1-NE 2.87Å; D151-R155 PolarHBondContact OD1-NE 3.43Å; D151-R155 IonicContact OD1-NH2 2.91Å; D151-R155 PolarHBondContact OD1-NH2 2.99Å; D151-R155 IonicContact OD2-CZ 3.21Å; D151-R155 IonicContact OD2-NE 3.54Å; D151-R155 PolarHBondContact OD2-NE 2.98Å; D151-R155 IonicContact OD2-NH2 2.69Å; D151-R155 PolarHBondContact OD2-NH2 3.22Å
152F88Confident81.3Confident46 Ų4678.4 Ų78.420%0.20246%0.461CS..Hα-helixtrans-65-45.4173.5173.4-100000112.1L116 A119 V120 H123 T149 S150 D154 R155 L156L116-F152 HydrophobicContact CD2-CZ 4.22Å; A119-F152 HydrophobicContact CB-CD2 4.35Å; A119-F152 HydrophobicContact CB-CE2 3.75Å; A119-F152 HydrophobicContact CB-CZ 4.32Å; V120-F152 HydrophobicContact CB-CE2 4.44Å; V120-F152 HydrophobicContact CG2-CE2 3.57Å; V120-F152 HydrophobicContact CG2-CZ 4.14Å; H123-F152 HydrophobicContact CB-CD2 4.42Å; T149-F152 PolarHBondContact O-N 3.18Å; S150-F152 VanDerWaalsContact C-N 3.26Å; S150-F152 PolarHBondContact O-N 3.35Å; F152-D154 PolarHBondContact O-N 3.07Å; F152-R155 PolarHBondContact O-N 3.1Å; F152-L156 HydrophobicContact CE1-CD2 4.02Å; F152-L156 HydrophobicContact CZ-CD2 4.32Å; F152-L156 WeakPolarHBondContact O-CB 3.29Å; F152-L156 PolarHBondContact O-N 3.22Å
153L90.4Very high79.9Confident99 Ų9976.1 Ų76.152%0.51847%0.466SS..Hα-helixtrans-64.3-38.5179.6-70.8173.9000112.2T149 S150 L156 S157T149-L153 VanDerWaalsContact O-CG 3.3Å; T149-L153 WeakPolarHBondContact O-CG 3.48Å; T149-L153 PolarHBondContact O-N 3Å; T149-L153 VanDerWaalsContact O-N 3.08Å; S150-L153 PolarHBondContact O-N 2.72Å; S150-L153 VanDerWaalsContact O-N 3.08Å; L153-L156 PolarHBondContact O-N 3.05Å; L153-S157 WeakPolarHBondContact O-CB 3.46Å; L153-S157 PolarHBondContact O-N 2.94Å; L153-S157 PolarHBondContact O-OG 3.33Å
154D89.3Confident78.6Confident104 Ų10483.7 Ų83.756%0.55650%0.498SS*.Hα-helixtrans-61.7-46.6175.8-71.8-19.5000110.8S150 F152 L156 S157 A158S150-D154 PolarHBondContact O-N 3.43Å; F152-D154 PolarHBondContact O-N 3.07Å; D154-L156 VanDerWaalsContact C-N 3.34Å; D154-L156 PolarHBondContact O-N 3.41Å; D154-S157 PolarHBondContact O-N 2.93Å; D154-S157 PolarHBondContact O-OG 3.34Å; D154-A158 PolarHBondContact O-N 2.89Å
155R87.2Confident77.1Confident53 Ų5387.1 Ų87.120%0.252%0.516CS..Hα-helixtrans-62.6-40.3174.9-67.2169.2-166.8-75.7-14.1112.5A119 N126 D151 F152 A158 G159A119-R155 HydrophobicContact CB-CB 4.34Å; N126-R155 PolarHBondContact ND2-NH2 2.93Å; D151-R155 VanDerWaalsContact O-CG 3.29Å; D151-R155 WeakPolarHBondContact O-CG 3.44Å; D151-R155 PolarHBondContact O-N 2.88Å; D151-R155 IonicContact OD1-CZ 2.67Å; D151-R155 IonicContact OD1-NE 2.87Å; D151-R155 PolarHBondContact OD1-NE 3.43Å; D151-R155 IonicContact OD1-NH2 2.91Å; D151-R155 PolarHBondContact OD1-NH2 2.99Å; D151-R155 IonicContact OD2-CZ 3.21Å; D151-R155 IonicContact OD2-NE 3.54Å; D151-R155 PolarHBondContact OD2-NE 2.98Å; D151-R155 IonicContact OD2-NH2 2.69Å; D151-R155 PolarHBondContact OD2-NH2 3.22Å; F152-R155 PolarHBondContact O-N 3.1Å; R155-A158 PolarHBondContact O-N 3.3Å; R155-G159 PolarHBondContact O-N 3.26Å
156L90.2Very high75.5Confident25 Ų2586.3 Ų86.313%0.13152%0.515CS..Hα-helixtrans-64.3-43.4177.6-175.961.8000110.9A115 L116 A119 F152 L153 D154 A158 G159 I160A115-L156 HydrophobicContact CB-CD1 4.2Å; L116-L156 HydrophobicContact CD2-CD1 3.78Å; L116-L156 HydrophobicContact CD2-CD2 3.82Å; L116-L156 HydrophobicContact CD2-CG 4.48Å; L116-L156 HydrophobicContact CG-CD1 4.15Å; A119-L156 HydrophobicContact CB-CB 4.05Å; A119-L156 HydrophobicContact CB-CD1 4.01Å; F152-L156 HydrophobicContact CE1-CD2 4.02Å; F152-L156 HydrophobicContact CZ-CD2 4.32Å; F152-L156 WeakPolarHBondContact O-CB 3.29Å; F152-L156 PolarHBondContact O-N 3.22Å; L153-L156 PolarHBondContact O-N 3.05Å; D154-L156 VanDerWaalsContact C-N 3.34Å; D154-L156 PolarHBondContact O-N 3.41Å; L156-A158 VanDerWaalsContact C-N 3.35Å; L156-A158 PolarHBondContact O-N 3.03Å; L156-G159 PolarHBondContact O-N 3Å; L156-I160 HydrophobicContact CD1-CD1 3.97Å; L156-I160 HydrophobicContact CD1-CG1 4.47Å; L156-I160 HydrophobicContact CG-CD1 3.87Å; L156-I160 WeakPolarHBondContact O-CG1 3.21Å; L156-I160 PolarHBondContact O-N 3.27Å
157S87.3Confident73.9Confident72 Ų7290 Ų9050%0.50353%0.53SS..Hα-helixtrans-65.9-34.7177.577.90000112.8L153 D154 G159 I160L153-S157 WeakPolarHBondContact O-CB 3.46Å; L153-S157 PolarHBondContact O-N 2.94Å; L153-S157 PolarHBondContact O-OG 3.33Å; D154-S157 PolarHBondContact O-N 2.93Å; D154-S157 PolarHBondContact O-OG 3.34Å; S157-G159 VanDerWaalsContact C-N 3.32Å; S157-G159 PolarHBondContact O-N 3.35Å; S157-I160 CarbonylContact O-C 3.5Å; S157-I160 PolarHBondContact O-N 3.17Å
158A81.9Confident72.3Confident84 Ų8494.7 Ų94.769%0.69456%0.559SS**Hα-helixtrans-67.7-32.617500000112.6D154 R155 L156D154-A158 PolarHBondContact O-N 2.89Å; R155-A158 PolarHBondContact O-N 3.3Å; L156-A158 VanDerWaalsContact C-N 3.35Å; L156-A158 PolarHBondContact O-N 3.03Å
159G76.1Confident70.3Confident54 Ų54103.1 Ų103.156%0.55759%0.592SS**Hα-helixtrans-78.9-31.4177.400000113.9R155 L156 S157 S161R155-G159 PolarHBondContact O-N 3.26Å; L156-G159 PolarHBondContact O-N 3Å; S157-G159 VanDerWaalsContact C-N 3.32Å; S157-G159 PolarHBondContact O-N 3.35Å; G159-S161 PolarHBondContact O-N 3.35Å
160I78.3Confident69.7Low85 Ų85102.3 Ų102.344%0.43659%0.585SS.*SBendtrans-89.288.7173.1-55165.1000105.8A115 L156 S157 A162A115-I160 HydrophobicContact CB-CD1 4.48Å; A115-I160 HydrophobicContact CB-CG1 3.72Å; L156-I160 HydrophobicContact CD1-CD1 3.97Å; L156-I160 HydrophobicContact CD1-CG1 4.47Å; L156-I160 HydrophobicContact CG-CD1 3.87Å; L156-I160 WeakPolarHBondContact O-CG1 3.21Å; L156-I160 PolarHBondContact O-N 3.27Å; S157-I160 CarbonylContact O-C 3.5Å; S157-I160 PolarHBondContact O-N 3.17Å; I160-A162 VanDerWaalsContact C-N 3.33Å; I160-A162 PolarHBondContact O-N 3.39Å
161S64.1Low68.8Low107 Ų107104.5 Ų104.575%0.74859%0.594SS**  trans-44.7105.2170.91760000107.6G159G159-S161 PolarHBondContact O-N 3.35Å
162A56.7Low67.8Low67 Ų67107.8 Ų107.855%0.55461%0.614SS**  trans-54.1135.9-175.200000105.4I160 K164I160-A162 VanDerWaalsContact C-N 3.33Å; I160-A162 PolarHBondContact O-N 3.39Å; A162-K164 VanDerWaalsContact C-N 3.33Å; A162-K164 PolarHBondContact O-N 3.47Å
163P54.3Low66.6Low108 Ų108111.4 Ų111.470%0.70164%0.638SS**  trans-50.7116165.124.1-30.4000103.6L165P163-L165 PolarHBondContact O-N 3.36Å
164K51.5Low65.1Low184 Ų184112.2 Ų112.280%0.865%0.645SS**  trans-50107176.2-68.8179.4179178.90103.1A162 S166A162-K164 VanDerWaalsContact C-N 3.33Å; A162-K164 PolarHBondContact O-N 3.47Å; K164-S166 PolarHBondContact O-N 3.06Å; K164-S166 PolarHBondContact O-OG 2.85Å
165L50.5Low63.5Low172 Ų172112.7 Ų112.790%0.90165%0.651SS**  trans-67.167.9157.6-84.4142.4000102.8P163 K167P163-L165 PolarHBondContact O-N 3.36Å; L165-K167 PolarHBondContact O-N 2.86Å
166S47.3Very low61.8Low96 Ų96117 Ų11767%0.67168%0.684SS**  trans-67.590.4167.950.20000103.1K164 T168K164-S166 PolarHBondContact O-N 3.06Å; K164-S166 PolarHBondContact O-OG 2.85Å; S166-T168 PolarHBondContact O-N 3.05Å; S166-T168 VanDerWaalsContact O-N 3.17Å
167K44.2Very low59.7Low191 Ų191124.1 Ų124.183%0.8373%0.726SS**  trans16.693.7143.9-69.5174.3176.9177.90111.4L165 H169L165-K167 PolarHBondContact O-N 2.86Å; K167-H169 VanDerWaalsContact C-N 3.32Å; K167-H169 PolarHBondContact O-N 3.02Å; K167-H169 VanDerWaalsContact O-N 3.08Å
168T45.4Very low57.4Low149 Ų149128.4 Ų128.491%0.91475%0.745SS**  trans-50.7106.4143.343.20000106.6S166S166-T168 PolarHBondContact O-N 3.05Å; S166-T168 VanDerWaalsContact O-N 3.17Å
169H38.2Very low55.1Low244 Ų244132.5 Ų132.5100%1.1375%0.749SS**  trans-137.50162.5-155.5-50.5000107.8K167K167-H169 VanDerWaalsContact C-N 3.32Å; K167-H169 PolarHBondContact O-N 3.02Å; K167-H169 VanDerWaalsContact O-N 3.08Å

Retrieved 169 of 169 residues in 33.5 ms (Link to these results)