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ATP synthase peripheral stalk subunit F6, mitochondrial

Mitochondrial membrane ATP synthase (F(1)F(0) ATP synthase or Complex V) produces ATP from ADP in the presence of a proton gradient across the membrane which is generated by electron transport complexes of the respiratory chain. Subunit F6, of the mitochondrial membrane ATP synthase complex (F(1)F(0) ATP synthase or Complex V) that produces ATP from ADP in the presence of a proton gradient across the membrane which is generated by electron transport complexes of the respiratory chain. ATP synthase complex consist of a soluble F(1) head domain - the catalytic core - and a membrane F(1) domain - the membrane proton channel. These two domains are linked by a central stalk rotating inside the F(1) region and a stationary peripheral stalk. During catalysis, ATP synthesis in the catalytic domain of F(1) is coupled via a rotary mechanism of the central stalk subunits to proton translocation. In vivo, can only synthesize ATP although its ATP hydrolase activity can be activated artificially in vitro. Part of the complex F(0) domain. Part of the complex F(0) domain and the peripheric stalk, which acts as a stator to hold the catalytic alpha(3)beta(3) subcomplex and subunit a/ATP6 static relative to the rotary elements.

AlphaFold DB (A0A2K5XKF2), UniProt , Accession A0A096MP71, Species PAPAN (Papio anubis, Olive baboon), Gene ATP5PF, Length 119 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
1M65.1Low73.6Confident174 Ų174127.8 Ų127.886%0.85761%0.605SS**  0-45.90-78.5-92.5142.800113.3
2I74.8Confident74.4Confident132 Ų132126.3 Ų126.368%0.67760%0.602SS**Hα-helixtrans-67.9-39.1179.5-69.8148.9000113.2Q4 R5 L6I2-Q4 VanDerWaalsContact C-N 3.34Å; I2-Q4 PolarHBondContact O-N 3.45Å; I2-R5 WeakPolarHBondContact O-CB 3.4Å; I2-R5 PolarHBondContact O-N 3.46Å; I2-R5 VanDerWaalsContact O-N 3.11Å; I2-L6 HydrophobicContact CG2-CD1 4.1Å; I2-L6 HydrophobicContact CG2-CG 4.42Å; I2-L6 WeakPolarHBondContact O-CG 3.5Å; I2-L6 PolarHBondContact O-N 2.92Å
3L68.7Low75.1Confident126 Ų126125.1 Ų125.166%0.6660%0.599SS**Hα-helixtrans-63.6-36.7-178.7-152.474.5000113.4R5 L6 F7L3-R5 VanDerWaalsContact C-N 3.34Å; L3-L6 HydrophobicContact CD1-CD1 4.49Å; L3-L6 PolarHBondContact O-N 2.97Å; L3-F7 PolarHBondContact O-N 2.99Å
4Q72.3Confident75.4Confident124 Ų124129.4 Ų129.458%0.57961%0.606SS**Hα-helixtrans-67.9-35.7175-73.3175.6-36.300111.8I2 F7 R8I2-Q4 VanDerWaalsContact C-N 3.34Å; I2-Q4 PolarHBondContact O-N 3.45Å; Q4-F7 PolarHBondContact O-N 3.14Å; Q4-R8 WeakPolarHBondContact O-CB 3.49Å; Q4-R8 VanDerWaalsContact O-CG 3.3Å; Q4-R8 WeakPolarHBondContact O-CG 3.2Å; Q4-R8 PolarHBondContact O-N 3.44Å
5R73.8Confident75.7Confident166 Ų166125.5 Ų125.563%0.62660%0.599SS**Hα-helixtrans-65.5-45.8173.6-65.6-177.2-179.4-165.40.1110.1I2 L3 F7 R8 F9I2-R5 WeakPolarHBondContact O-CB 3.4Å; I2-R5 PolarHBondContact O-N 3.46Å; I2-R5 VanDerWaalsContact O-N 3.11Å; L3-R5 VanDerWaalsContact C-N 3.34Å; R5-F7 PolarHBondContact O-N 3.18Å; R5-R8 PolarHBondContact O-N 2.89Å; R5-F9 HydrophobicContact CB-CD2 4.34Å; R5-F9 HydrophobicContact CB-CE2 4.21Å; R5-F9 WeakPolarHBondContact O-CD2 3.33Å; R5-F9 PolarHBondContact O-N 3.07Å
6L74.6Confident76Confident102 Ų102120.6 Ų120.653%0.53459%0.585SS.*Hα-helixtrans-58.7-43.3175.3-68.4171000112.4I2 L3 R8 F9 S10I2-L6 HydrophobicContact CG2-CD1 4.1Å; I2-L6 HydrophobicContact CG2-CG 4.42Å; I2-L6 WeakPolarHBondContact O-CG 3.5Å; I2-L6 PolarHBondContact O-N 2.92Å; L3-L6 HydrophobicContact CD1-CD1 4.49Å; L3-L6 PolarHBondContact O-N 2.97Å; L6-R8 PolarHBondContact O-N 3.13Å; L6-F9 PolarHBondContact O-N 3.38Å; L6-S10 WeakPolarHBondContact O-CB 3.42Å; L6-S10 PolarHBondContact O-N 3.36Å
7F73.5Confident76.2Confident151 Ų151117.5 Ų117.566%0.66258%0.575SS**Hα-helixtrans-62.5-42.9175-105.8-86000112.3L3 Q4 R5 S10 S11L3-F7 PolarHBondContact O-N 2.99Å; Q4-F7 PolarHBondContact O-N 3.14Å; R5-F7 PolarHBondContact O-N 3.18Å; F7-S10 PolarHBondContact O-N 3.37Å; F7-S10 PolarHBondContact O-OG 3.33Å; F7-S11 PolarHBondContact O-N 3.07Å
8R75Confident76.2Confident194 Ų194113.5 Ų113.573%0.73256%0.561SS**Hα-helixtrans-65.1-42.1176.3-75.3180165.5-162.5-3.8112.5Q4 R5 L6 S11 I12Q4-R8 WeakPolarHBondContact O-CB 3.49Å; Q4-R8 VanDerWaalsContact O-CG 3.3Å; Q4-R8 WeakPolarHBondContact O-CG 3.2Å; Q4-R8 PolarHBondContact O-N 3.44Å; R5-R8 PolarHBondContact O-N 2.89Å; L6-R8 PolarHBondContact O-N 3.13Å; R8-S11 WeakPolarHBondContact O-CB 3.34Å; R8-S11 PolarHBondContact O-N 3.22Å; R8-I12 WeakPolarHBondContact O-CG1 3.46Å; R8-I12 PolarHBondContact O-N 3.27Å; R8-I12 VanDerWaalsContact O-N 3.13Å
9F76.5Confident76.2Confident126 Ų126110.4 Ų110.455%0.55355%0.549SS*.Hα-helixtrans-62.8-42.5173.6-77.8-65.8000111.6R5 L6 S11 I12 I13R5-F9 HydrophobicContact CB-CD2 4.34Å; R5-F9 HydrophobicContact CB-CE2 4.21Å; R5-F9 WeakPolarHBondContact O-CD2 3.33Å; R5-F9 PolarHBondContact O-N 3.07Å; L6-F9 PolarHBondContact O-N 3.38Å; F9-S11 VanDerWaalsContact C-N 3.28Å; F9-S11 PolarHBondContact O-N 3.43Å; F9-I12 PolarHBondContact O-N 2.94Å; F9-I13 VanDerWaalsContact O-CG1 3.29Å; F9-I13 WeakPolarHBondContact O-CG1 3.3Å; F9-I13 PolarHBondContact O-N 3.45Å
10S78.8Confident76.2Confident39 Ų39111.2 Ų111.227%0.27355%0.55SS.*Hα-helixtrans-62.3-36176.780.40000112.4L6 F7 R14L6-S10 WeakPolarHBondContact O-CB 3.42Å; L6-S10 PolarHBondContact O-N 3.36Å; F7-S10 PolarHBondContact O-N 3.37Å; F7-S10 PolarHBondContact O-OG 3.33Å; S10-R14 VanDerWaalsContact O-CB 3.26Å; S10-R14 WeakPolarHBondContact O-CB 3.36Å; S10-R14 WeakPolarHBondContact O-CG 3.36Å; S10-R14 PolarHBondContact O-N 3.44Å
11S76.9Confident75.9Confident72 Ų72110.6 Ų110.650%0.50355%0.545SS..Hα-helixtrans-65.5-43.4176.3162.30000111.8F7 R8 F9 R14 S15F7-S11 PolarHBondContact O-N 3.07Å; R8-S11 WeakPolarHBondContact O-CB 3.34Å; R8-S11 PolarHBondContact O-N 3.22Å; F9-S11 VanDerWaalsContact C-N 3.28Å; F9-S11 PolarHBondContact O-N 3.43Å; S11-R14 PolarHBondContact O-N 2.85Å; S11-S15 WeakPolarHBondContact O-CB 3.46Å; S11-S15 PolarHBondContact O-N 2.94Å
12I83.4Confident76Confident110 Ų110111.1 Ų111.156%0.56454%0.537SS*.Hα-helixtrans-66.6-44.2178.2-63.9164.2000110.5R8 F9 S15 A16R8-I12 WeakPolarHBondContact O-CG1 3.46Å; R8-I12 PolarHBondContact O-N 3.27Å; R8-I12 VanDerWaalsContact O-N 3.13Å; F9-I12 PolarHBondContact O-N 2.94Å; I12-S15 PolarHBondContact O-N 3.49Å; I12-A16 WeakPolarHBondContact O-CB 3.44Å; I12-A16 PolarHBondContact O-N 3.4Å
13I82.8Confident75.8Confident110 Ų110114.6 Ų114.656%0.56454%0.542SS*.Hα-helixtrans-62.8-47.2177.1-66.4166.5000110.4F9 S15 A16 V17F9-I13 VanDerWaalsContact O-CG1 3.29Å; F9-I13 WeakPolarHBondContact O-CG1 3.3Å; F9-I13 PolarHBondContact O-N 3.45Å; I13-S15 VanDerWaalsContact C-N 3.28Å; I13-S15 PolarHBondContact O-N 3.26Å; I13-A16 PolarHBondContact O-N 3.47Å; I13-V17 HydrophobicContact CG2-CG2 4.22Å; I13-V17 VanDerWaalsContact O-CB 3.3Å; I13-V17 WeakPolarHBondContact O-CB 3.48Å; I13-V17 WeakPolarHBondContact O-CG2 3.45Å; I13-V17 PolarHBondContact O-N 3.19Å
14R79.9Confident75.7Confident186 Ų186112.7 Ų112.770%0.70253%0.532SS*.Hα-helixtrans-59-39.8176-76.2173.8-177.1-157.12.4112S10 S11 S18S10-R14 VanDerWaalsContact O-CB 3.26Å; S10-R14 WeakPolarHBondContact O-CB 3.36Å; S10-R14 WeakPolarHBondContact O-CG 3.36Å; S10-R14 PolarHBondContact O-N 3.44Å; S11-R14 PolarHBondContact O-N 2.85Å; R14-S18 WeakPolarHBondContact O-CB 3.48Å; R14-S18 PolarHBondContact O-N 2.98Å
15S79.3Confident75.3Confident71 Ų71112.5 Ų112.550%0.49753%0.534SS..Hα-helixtrans-66.2-48.8177.6-175.60000111.8S11 I12 I13 V17 S18 V19S11-S15 WeakPolarHBondContact O-CB 3.46Å; S11-S15 PolarHBondContact O-N 2.94Å; I12-S15 PolarHBondContact O-N 3.49Å; I13-S15 VanDerWaalsContact C-N 3.28Å; I13-S15 PolarHBondContact O-N 3.26Å; S15-V17 PolarHBondContact O-N 3.32Å; S15-S18 WeakPolarHBondContact O-CB 3.29Å; S15-S18 PolarHBondContact O-N 3.23Å; S15-V19 WeakPolarHBondContact O-CG2 3.35Å; S15-V19 PolarHBondContact O-N 3.42Å
16A81.1Confident74.9Confident46 Ų46107.3 Ų107.338%0.3853%0.532SS..Hα-helixtrans-59.5-48.5177.700000111.1I12 I13 S18 V19 H20I12-A16 WeakPolarHBondContact O-CB 3.44Å; I12-A16 PolarHBondContact O-N 3.4Å; I13-A16 PolarHBondContact O-N 3.47Å; A16-S18 VanDerWaalsContact C-N 3.35Å; A16-S18 PolarHBondContact O-N 3.27Å; A16-V19 PolarHBondContact O-N 3.33Å; A16-H20 PolarHBondContact O-CD2 2.95Å; A16-H20 PolarHBondContact O-N 3.11Å
17V78.8Confident74.5Confident68 Ų68107.5 Ų107.541%0.41254%0.537SS..Hα-helixtrans-59.1-45.2176.4172.20000111I13 S15 V19 H20 F21I13-V17 HydrophobicContact CG2-CG2 4.22Å; I13-V17 VanDerWaalsContact O-CB 3.3Å; I13-V17 WeakPolarHBondContact O-CB 3.48Å; I13-V17 WeakPolarHBondContact O-CG2 3.45Å; I13-V17 PolarHBondContact O-N 3.19Å; S15-V17 PolarHBondContact O-N 3.32Å; V17-V19 PolarHBondContact O-N 3.49Å; V17-H20 PolarHBondContact O-N 3.4Å; V17-F21 HydrophobicContact CG1-CD2 3.49Å; V17-F21 VanDerWaalsContact CG1-CD2 3.49Å; V17-F21 HydrophobicContact CG1-CE2 3.35Å; V17-F21 WeakPolarHBondContact O-CD2 3.14Å; V17-F21 PolarHBondContact O-N 3.44Å
18S76.8Confident74.1Confident46 Ų46101.5 Ų101.532%0.32251%0.514SS..Hα-helixtrans-60.3-42.4176.2179.20000112.6R14 S15 A16 F21 R22R14-S18 WeakPolarHBondContact O-CB 3.48Å; R14-S18 PolarHBondContact O-N 2.98Å; S15-S18 WeakPolarHBondContact O-CB 3.29Å; S15-S18 PolarHBondContact O-N 3.23Å; A16-S18 VanDerWaalsContact C-N 3.35Å; A16-S18 PolarHBondContact O-N 3.27Å; S18-F21 PolarHBondContact O-N 3.05Å; S18-R22 VanDerWaalsContact O-CB 3.27Å; S18-R22 WeakPolarHBondContact O-CB 3.42Å; S18-R22 WeakPolarHBondContact O-CG 3.05Å; S18-R22 PolarHBondContact O-N 3.09Å; S18-R22 PolarHBondContact OG-NE 2.97Å
19V76.8Confident73.6Confident55 Ų5594.1 Ų94.133%0.33349%0.494SS..Hα-helixtrans-65.5-41.3177.5172.60000111.4S15 A16 V17 R22 R23S15-V19 WeakPolarHBondContact O-CG2 3.35Å; S15-V19 PolarHBondContact O-N 3.42Å; A16-V19 PolarHBondContact O-N 3.33Å; V17-V19 PolarHBondContact O-N 3.49Å; V19-R22 PolarHBondContact O-N 3.08Å; V19-R23 WeakPolarHBondContact O-CG 3.36Å; V19-R23 PolarHBondContact O-N 3.22Å
20H74.5Confident73Confident125 Ų12591.3 Ų91.358%0.57949%0.487SS*.Hα-helixtrans-66-40.1176.8-72-65.7000112.3A16 V17 N24A16-H20 PolarHBondContact O-CD2 2.95Å; A16-H20 PolarHBondContact O-N 3.11Å; V17-H20 PolarHBondContact O-N 3.4Å; H20-N24 PolarHBondContact O-N 3.23Å; H20-N24 PolarHBondContact O-ND2 3.38Å
21F70.1Confident72.4Confident99 Ų9993 Ų9343%0.43450%0.503SS..Hα-helixtrans-69-40.6174.2-79.1-63.2000112.6V17 S18 R23 N24 T28 F32V17-F21 HydrophobicContact CG1-CD2 3.49Å; V17-F21 VanDerWaalsContact CG1-CD2 3.49Å; V17-F21 HydrophobicContact CG1-CE2 3.35Å; V17-F21 WeakPolarHBondContact O-CD2 3.14Å; V17-F21 PolarHBondContact O-N 3.44Å; S18-F21 PolarHBondContact O-N 3.05Å; F21-R23 VanDerWaalsContact C-N 3.27Å; F21-R23 PolarHBondContact O-N 3.33Å; F21-N24 CarbonylContact O-C 3.26Å; F21-N24 PolarHBondContact O-N 2.62Å; F21-N24 VanDerWaalsContact O-N 3.16Å; F21-T28 HydrophobicContact CB-CG2 4.22Å; F21-T28 HydrophobicContact CD1-CG2 3.74Å; F21-T28 WeakPolarHBondContact CD1-OG1 3.42Å; F21-T28 HydrophobicContact CG-CG2 4.35Å; F21-T28 PolarHBondContact O-OG1 3.43Å; F21-F32 HydrophobicContact CD1-CE2 4.19Å; F21-F32 AromaticContact CE1-CE2 3.85Å; F21-F32 HydrophobicContact CE1-CE2 3.85Å; F21-F32 HydrophobicContact CE1-CZ 4.38Å; F21-F32 HydrophobicContact CZ-CE2 4.4Å; F21-F32 HydrophobicContact CZ-CZ 4.49Å
22R68.5Low71.7Confident185 Ų18596.2 Ų96.270%0.69851%0.508SS*.Hα-helixtrans-66.2-23.8176.8-75.8176.9-177.4-148.5-1.2113.9S18 V19 I25S18-R22 VanDerWaalsContact O-CB 3.27Å; S18-R22 WeakPolarHBondContact O-CB 3.42Å; S18-R22 WeakPolarHBondContact O-CG 3.05Å; S18-R22 PolarHBondContact O-N 3.09Å; S18-R22 PolarHBondContact OG-NE 2.97Å; V19-R22 PolarHBondContact O-N 3.08Å; R22-I25 WeakPolarHBondContact O-CD1 3.32Å; R22-I25 WeakPolarHBondContact O-CG1 3.26Å
23R70.3Confident71Confident205 Ų20595.3 Ų95.377%0.77451%0.505SS*.Hα-helixtrans-87.9-16174.6-73.6-179.5170.8161.3-2.4113.2V19 F21V19-R23 WeakPolarHBondContact O-CG 3.36Å; V19-R23 PolarHBondContact O-N 3.22Å; F21-R23 VanDerWaalsContact C-N 3.27Å; F21-R23 PolarHBondContact O-N 3.33Å
24N67.3Low70Confident86 Ų86100.2 Ų100.246%0.4652%0.522SS..  trans-110.247.9178.1-70.9-78.5000111.1H20 F21 G26 V27 T28H20-N24 PolarHBondContact O-N 3.23Å; H20-N24 PolarHBondContact O-ND2 3.38Å; F21-N24 CarbonylContact O-C 3.26Å; F21-N24 PolarHBondContact O-N 2.62Å; F21-N24 VanDerWaalsContact O-N 3.16Å; N24-G26 PolarHBondContact O-N 3.4Å; N24-V27 PolarHBondContact O-N 3.46Å; N24-T28 VanDerWaalsContact O-CB 3.24Å; N24-T28 WeakPolarHBondContact O-CB 3.46Å; N24-T28 PolarHBondContact O-N 3.47Å; N24-T28 PolarHBondContact O-OG1 3.46Å
25I63Low69.6Low120 Ų12099.5 Ų99.562%0.61553%0.527SS*.Hα-helixtrans-57-38-174.5-62176.5000111.5R22 A29R22-I25 WeakPolarHBondContact O-CD1 3.32Å; R22-I25 WeakPolarHBondContact O-CG1 3.26Å; I25-A29 WeakPolarHBondContact O-CB 3.49Å; I25-A29 PolarHBondContact O-N 2.85Å
26G65.4Low69.1Low57 Ų5798.4 Ų98.459%0.58852%0.515SS*.Hα-helixtrans-62.5-47.5178.400000113.5N24 V30N24-G26 PolarHBondContact O-N 3.4Å; G26-V30 WeakPolarHBondContact O-CG2 3.4Å; G26-V30 PolarHBondContact O-N 3.18Å
27V66.4Low69.3Low106 Ų106100.1 Ų100.164%0.64252%0.517SS*.Hα-helixtrans-74-37.1180-179.60000111.2N24 A31N24-V27 PolarHBondContact O-N 3.46Å; V27-A31 VanDerWaalsContact O-CB 3.3Å; V27-A31 WeakPolarHBondContact O-CB 3.35Å; V27-A31 PolarHBondContact O-N 3.22Å
28T63.8Low69.6Low26 Ų26101.4 Ų101.416%0.1653%0.527CS..Hα-helixtrans-71.2-40.5-179.8-51.40000111.2F21 N24 V30 A31 F32F21-T28 HydrophobicContact CB-CG2 4.22Å; F21-T28 HydrophobicContact CD1-CG2 3.74Å; F21-T28 WeakPolarHBondContact CD1-OG1 3.42Å; F21-T28 HydrophobicContact CG-CG2 4.35Å; F21-T28 PolarHBondContact O-OG1 3.43Å; N24-T28 VanDerWaalsContact O-CB 3.24Å; N24-T28 WeakPolarHBondContact O-CB 3.46Å; N24-T28 PolarHBondContact O-N 3.47Å; N24-T28 PolarHBondContact O-OG1 3.46Å; T28-V30 PolarHBondContact O-N 2.86Å; T28-A31 PolarHBondContact O-N 3.43Å; T28-F32 HydrophobicContact CG2-CD2 3.43Å; T28-F32 VanDerWaalsContact CG2-CD2 3.43Å; T28-F32 HydrophobicContact CG2-CE2 3.75Å; T28-F32 WeakPolarHBondContact O-CB 3.47Å; T28-F32 VanDerWaalsContact O-CD2 3.31Å; T28-F32 WeakPolarHBondContact O-CD2 3.33Å; T28-F32 PolarHBondContact O-N 3.15Å
29A65.6Low70.2Confident38 Ų38104.2 Ų104.231%0.31454%0.542SS..Hα-helixtrans-61.9-43.4175.900000111.2I25 N33I25-A29 WeakPolarHBondContact O-CB 3.49Å; I25-A29 PolarHBondContact O-N 2.85Å; A29-N33 WeakPolarHBondContact O-CB 3.27Å; A29-N33 VanDerWaalsContact O-CG 3.25Å; A29-N33 PolarHBondContact O-N 2.94Å; A29-N33 PolarHBondContact O-ND2 3.45Å; A29-N33 VanDerWaalsContact O-ND2 3.11Å
30V63.9Low70.6Confident68 Ų68105.8 Ų105.841%0.41255%0.546SS..Hα-helixtrans-66.3-38.81761770000111.8G26 T28 L36G26-V30 WeakPolarHBondContact O-CG2 3.4Å; G26-V30 PolarHBondContact O-N 3.18Å; T28-V30 PolarHBondContact O-N 2.86Å; V30-L36 HydrophobicContact CG1-CD2 3.98Å
31A65.3Low71.3Confident74 Ų74105.1 Ų105.161%0.61254%0.542SS*.Hα-helixtrans-74.8-30.6-178.400000114.1V27 T28V27-A31 VanDerWaalsContact O-CB 3.3Å; V27-A31 WeakPolarHBondContact O-CB 3.35Å; V27-A31 PolarHBondContact O-N 3.22Å; T28-A31 PolarHBondContact O-N 3.43Å
32F63.9Low72.3Confident139 Ų139105.7 Ų105.761%0.6155%0.548SS*.Hα-helixtrans-107.6-8.5-176.8-70.4-81.1000114.3F21 T28 K34F21-F32 HydrophobicContact CD1-CE2 4.19Å; F21-F32 AromaticContact CE1-CE2 3.85Å; F21-F32 HydrophobicContact CE1-CE2 3.85Å; F21-F32 HydrophobicContact CE1-CZ 4.38Å; F21-F32 HydrophobicContact CZ-CE2 4.4Å; F21-F32 HydrophobicContact CZ-CZ 4.49Å; T28-F32 HydrophobicContact CG2-CD2 3.43Å; T28-F32 VanDerWaalsContact CG2-CD2 3.43Å; T28-F32 HydrophobicContact CG2-CE2 3.75Å; T28-F32 WeakPolarHBondContact O-CB 3.47Å; T28-F32 VanDerWaalsContact O-CD2 3.31Å; T28-F32 WeakPolarHBondContact O-CD2 3.33Å; T28-F32 PolarHBondContact O-N 3.15Å; F32-K34 PolarHBondContact O-N 3Å
33N66.8Low73.4Confident92 Ų92103.7 Ų103.749%0.49255%0.545SS..  trans-72111.8169.4-91-36.3000110A29 E35A29-N33 WeakPolarHBondContact O-CB 3.27Å; A29-N33 VanDerWaalsContact O-CG 3.25Å; A29-N33 PolarHBondContact O-N 2.94Å; A29-N33 PolarHBondContact O-ND2 3.45Å; A29-N33 VanDerWaalsContact O-ND2 3.11Å; N33-E35 PolarHBondContact O-N 3.45Å
34K63.8Low74.4Confident212 Ų21295.9 Ų95.992%0.92252%0.52SS*.SBendtrans-63.1-27.2168.6-69.2-178.9177.6178.30111.7F32F32-K34 PolarHBondContact O-N 3Å
35E70.1Confident75.7Confident172 Ų17294.8 Ų94.880%0.80451%0.514SS*.SBendtrans-114.395.4175.5-65.7-179.9-169.800108.4N33N33-E35 PolarHBondContact O-N 3.45Å
36L69.2Low77.2Confident47 Ų4794.9 Ų94.925%0.24651%0.51CS..  trans-60.9145.1169.7-68.9172.1000109.3V30 K41 V44V30-L36 HydrophobicContact CG1-CD2 3.98Å; L36-K41 HydrophobicContact CB-CB 4.13Å; L36-V44 HydrophobicContact CD1-CG2 4.42Å
37D84.6Confident78.6Confident82 Ų8296.5 Ų96.544%0.43950%0.504SS..  trans-50.3137.9167.5171.670.3000109.8V39 Q40 K41D37-V39 PolarHBondContact O-N 2.99Å; D37-V39 WeakPolarHBondContact OD2-CB 3.39Å; D37-V39 PolarHBondContact OD2-N 3.31Å; D37-V39 VanDerWaalsContact OD2-N 3.13Å; D37-Q40 HydrophobicContact CB-CB 4.36Å; D37-Q40 HydrophobicContact CB-CG 4.15Å; D37-Q40 PolarHBondContact O-N 2.74Å; D37-K41 PolarHBondContact O-N 3.01Å
38P86.5Confident79.9Confident95 Ų9599 Ų9962%0.61750%0.502SS*.Hα-helixtrans-51.2-35.4-175.7-31.537.1000114.3L42P38-L42 WeakPolarHBondContact O-CG 3.37Å; P38-L42 PolarHBondContact O-N 3.38Å; P38-L42 VanDerWaalsContact O-N 3.16Å
39V88.4Confident81.3Confident106 Ų106101.4 Ų101.464%0.64251%0.512SS*.Hα-helixtrans-71.8-43.4178.6-178.90000111.2D37 K41 L42 F43D37-V39 PolarHBondContact O-N 2.99Å; D37-V39 WeakPolarHBondContact OD2-CB 3.39Å; D37-V39 PolarHBondContact OD2-N 3.31Å; D37-V39 VanDerWaalsContact OD2-N 3.13Å; V39-K41 VanDerWaalsContact C-N 3.3Å; V39-K41 PolarHBondContact O-N 3.25Å; V39-L42 PolarHBondContact O-N 2.71Å; V39-F43 PolarHBondContact O-N 2.9Å
40Q85.9Confident82.6Confident87 Ų87106.8 Ų106.841%0.40753%0.525SS..Hα-helixtrans-64.1-38.4177-64.8-178.1-0.900111.7D37 F43 V44D37-Q40 HydrophobicContact CB-CB 4.36Å; D37-Q40 HydrophobicContact CB-CG 4.15Å; D37-Q40 PolarHBondContact O-N 2.74Å; Q40-F43 PolarHBondContact O-N 3.44Å; Q40-V44 WeakPolarHBondContact O-CG2 3.46Å; Q40-V44 PolarHBondContact O-N 3.03Å; Q40-V44 VanDerWaalsContact O-N 3.07Å
41K87.8Confident84Confident112 Ų112109.4 Ų109.449%0.48753%0.531SS..Hα-helixtrans-59.7-47.1175-175.2177178.2-177.60111.4L36 D37 V39 F43 V44 D45L36-K41 HydrophobicContact CB-CB 4.13Å; D37-K41 PolarHBondContact O-N 3.01Å; V39-K41 VanDerWaalsContact C-N 3.3Å; V39-K41 PolarHBondContact O-N 3.25Å; K41-F43 VanDerWaalsContact C-N 3.29Å; K41-F43 PolarHBondContact O-N 2.93Å; K41-V44 PolarHBondContact O-N 3.35Å; K41-D45 WeakPolarHBondContact CG-OD2 3.35Å; K41-D45 WeakPolarHBondContact O-CB 3.33Å; K41-D45 VanDerWaalsContact O-CG 3.25Å; K41-D45 PolarHBondContact O-N 2.95Å
42L91.8Very high85.2Confident110 Ų110109 Ų10958%0.57652%0.524SS*.Hα-helixtrans-57.2-42.8177.1-73.3170.1000112.1P38 V39 D45 K46P38-L42 WeakPolarHBondContact O-CG 3.37Å; P38-L42 PolarHBondContact O-N 3.38Å; P38-L42 VanDerWaalsContact O-N 3.16Å; V39-L42 PolarHBondContact O-N 2.71Å; L42-D45 PolarHBondContact O-N 3.26Å; L42-K46 WeakPolarHBondContact O-CB 3.31Å; L42-K46 VanDerWaalsContact O-CG 3.31Å; L42-K46 WeakPolarHBondContact O-CG 3.48Å; L42-K46 PolarHBondContact O-N 3.18Å
43F91.9Very high86.5Confident143 Ų143106 Ų10663%0.62751%0.51SS*.Hα-helixtrans-63.5-46.9178.7-173.3-105.2000112V39 Q40 K41 D45 K46 I47V39-F43 PolarHBondContact O-N 2.9Å; Q40-F43 PolarHBondContact O-N 3.44Å; K41-F43 VanDerWaalsContact C-N 3.29Å; K41-F43 PolarHBondContact O-N 2.93Å; F43-D45 VanDerWaalsContact C-N 3.33Å; F43-D45 PolarHBondContact O-N 3.04Å; F43-K46 PolarHBondContact O-N 2.97Å; F43-I47 HydrophobicContact CD1-CD1 3.66Å; F43-I47 HydrophobicContact CE1-CD1 3.26Å; F43-I47 HydrophobicContact CE1-CG1 4.28Å; F43-I47 HydrophobicContact CG-CD1 4.49Å; F43-I47 HydrophobicContact CZ-CD1 3.8Å; F43-I47 HydrophobicContact CZ-CG1 4.48Å; F43-I47 WeakPolarHBondContact O-CG1 3.37Å; F43-I47 PolarHBondContact O-N 3.33Å
44V91.3Very high87.5Confident42 Ų42109.9 Ų109.926%0.25552%0.518SS..Hα-helixtrans-62.7-41.9177.1172.50000111.2L36 Q40 K41 K46 I47 R48L36-V44 HydrophobicContact CD1-CG2 4.42Å; Q40-V44 WeakPolarHBondContact O-CG2 3.46Å; Q40-V44 PolarHBondContact O-N 3.03Å; Q40-V44 VanDerWaalsContact O-N 3.07Å; K41-V44 PolarHBondContact O-N 3.35Å; V44-K46 VanDerWaalsContact C-N 3.34Å; V44-K46 PolarHBondContact O-N 3.14Å; V44-I47 PolarHBondContact O-N 3.32Å; V44-R48 VanDerWaalsContact CG1-CZ 3.49Å; V44-R48 WeakPolarHBondContact O-CG 3.34Å; V44-R48 PolarHBondContact O-N 3.45Å
45D93.8Very high88.7Confident62 Ų62106.6 Ų106.633%0.33251%0.506SS..Hα-helixtrans-64.7-39.1178.4-71.5-16.2000111K41 L42 F43 R48 E49K41-D45 WeakPolarHBondContact CG-OD2 3.35Å; K41-D45 WeakPolarHBondContact O-CB 3.33Å; K41-D45 VanDerWaalsContact O-CG 3.25Å; K41-D45 PolarHBondContact O-N 2.95Å; L42-D45 PolarHBondContact O-N 3.26Å; F43-D45 VanDerWaalsContact C-N 3.33Å; F43-D45 PolarHBondContact O-N 3.04Å; D45-R48 PolarHBondContact O-N 2.96Å; D45-R48 IonicContact OD1-NH1 3.51Å; D45-E49 WeakPolarHBondContact O-CB 3.44Å; D45-E49 PolarHBondContact O-N 3.29Å
46K95.3Very high89.2Confident123 Ų123104 Ų10454%0.53550%0.502SS..Hα-helixtrans-67.1-36.7173.9-70.7-64.3172.2-166.50113.6L42 F43 V44 R48 E49 Y50L42-K46 WeakPolarHBondContact O-CB 3.31Å; L42-K46 VanDerWaalsContact O-CG 3.31Å; L42-K46 WeakPolarHBondContact O-CG 3.48Å; L42-K46 PolarHBondContact O-N 3.18Å; F43-K46 PolarHBondContact O-N 2.97Å; V44-K46 VanDerWaalsContact C-N 3.34Å; V44-K46 PolarHBondContact O-N 3.14Å; K46-R48 VanDerWaalsContact C-N 3.34Å; K46-E49 WeakPolarHBondContact CD-OE2 3.44Å; K46-E49 IonicContact NZ-OE2 2.76Å; K46-E49 PolarHBondContact NZ-OE2 2.86Å; K46-E49 PolarHBondContact O-N 3.4Å; K46-Y50 WeakPolarHBondContact O-CB 3.3Å; K46-Y50 PolarHBondContact O-N 3.41Å
47I95Very high89.6Confident90 Ų90103.5 Ų103.546%0.46250%0.503SS..Hα-helixtrans-62.8-43.7172.2-71.5169.9000110.8F43 V44 Y50 K51F43-I47 HydrophobicContact CD1-CD1 3.66Å; F43-I47 HydrophobicContact CE1-CD1 3.26Å; F43-I47 HydrophobicContact CE1-CG1 4.28Å; F43-I47 HydrophobicContact CG-CD1 4.49Å; F43-I47 HydrophobicContact CZ-CD1 3.8Å; F43-I47 HydrophobicContact CZ-CG1 4.48Å; F43-I47 WeakPolarHBondContact O-CG1 3.37Å; F43-I47 PolarHBondContact O-N 3.33Å; V44-I47 PolarHBondContact O-N 3.32Å; I47-Y50 PolarHBondContact O-N 3.24Å; I47-K51 WeakPolarHBondContact O-CB 3.47Å; I47-K51 PolarHBondContact O-N 3.29Å
48R94.2Very high89.2Confident159 Ų159104.3 Ų104.360%0.653%0.53SS*.Hα-helixtrans-65.6-43.9178.5-71.4170.6178.4165.8-2.6111.5V44 D45 K46 K51 S52V44-R48 VanDerWaalsContact CG1-CZ 3.49Å; V44-R48 WeakPolarHBondContact O-CG 3.34Å; V44-R48 PolarHBondContact O-N 3.45Å; D45-R48 PolarHBondContact O-N 2.96Å; D45-R48 IonicContact OD1-NH1 3.51Å; K46-R48 VanDerWaalsContact C-N 3.34Å; R48-K51 PolarHBondContact O-N 2.99Å; R48-S52 PolarHBondContact O-N 2.77Å
49E93.1Very high89Confident77 Ų77101.8 Ų101.836%0.3652%0.521SS..Hα-helixtrans-57.7-50.5175.3-169.5-167.9150.500110.7D45 K46 K51 S52 K53D45-E49 WeakPolarHBondContact O-CB 3.44Å; D45-E49 PolarHBondContact O-N 3.29Å; K46-E49 WeakPolarHBondContact CD-OE2 3.44Å; K46-E49 IonicContact NZ-OE2 2.76Å; K46-E49 PolarHBondContact NZ-OE2 2.86Å; K46-E49 PolarHBondContact O-N 3.4Å; E49-K51 PolarHBondContact O-N 3.05Å; E49-S52 PolarHBondContact O-N 3.31Å; E49-K53 HydrophobicContact CG-CD 4.39Å; E49-K53 WeakPolarHBondContact O-CG 3.43Å; E49-K53 PolarHBondContact O-N 3.48Å; E49-K53 IonicContact OE1-NZ 3.99Å; E49-K53 PolarHBondContact OE1-NZ 2.76Å
50Y92.7Very high88.8Confident151 Ų151100.1 Ų100.159%0.59251%0.513SS*.Hα-helixtrans-59.7-45.6176.7173.8-97.4000112.2K46 I47 S52 K53 R54K46-Y50 WeakPolarHBondContact O-CB 3.3Å; K46-Y50 PolarHBondContact O-N 3.41Å; I47-Y50 PolarHBondContact O-N 3.24Å; Y50-S52 VanDerWaalsContact C-N 3.31Å; Y50-S52 PolarHBondContact O-N 2.9Å; Y50-K53 PolarHBondContact O-N 3.49Å; Y50-R54 HydrophobicContact CE1-CB 4.44Å; Y50-R54 WeakPolarHBondContact O-CB 3.49Å; Y50-R54 PolarHBondContact O-N 3.28Å
51K92.3Very high88.8Confident122 Ų12298.6 Ų98.653%0.5351%0.509SS..Hα-helixtrans-58.7-44.5178.5-177.6-179.3176.5-177.10111.3I47 R48 E49 Q55I47-K51 WeakPolarHBondContact O-CB 3.47Å; I47-K51 PolarHBondContact O-N 3.29Å; R48-K51 PolarHBondContact O-N 2.99Å; E49-K51 PolarHBondContact O-N 3.05Å; K51-Q55 WeakPolarHBondContact O-CB 3.05Å; K51-Q55 VanDerWaalsContact O-CG 3.27Å; K51-Q55 WeakPolarHBondContact O-CG 3.34Å; K51-Q55 PolarHBondContact O-N 2.97Å
52S91.1Very high88.5Confident66 Ų66100 Ų10046%0.46252%0.522SS..Hα-helixtrans-61.6-49177.1-175.10000111.5R48 E49 Y50 R54 Q55 T56R48-S52 PolarHBondContact O-N 2.77Å; E49-S52 PolarHBondContact O-N 3.31Å; Y50-S52 VanDerWaalsContact C-N 3.31Å; Y50-S52 PolarHBondContact O-N 2.9Å; S52-R54 PolarHBondContact O-N 3.45Å; S52-Q55 PolarHBondContact O-N 2.85Å; S52-T56 WeakPolarHBondContact O-CB 3.31Å; S52-T56 PolarHBondContact O-N 3.29Å; S52-T56 PolarHBondContact O-OG1 3.49Å
53K91.4Very high88.2Confident76 Ų7697.9 Ų97.933%0.3351%0.514SS..Hα-helixtrans-59.3-46.3177.8-75.5180167.7171.50112.2E49 Y50 Q55 T56 S57 V61 D62E49-K53 HydrophobicContact CG-CD 4.39Å; E49-K53 WeakPolarHBondContact O-CG 3.43Å; E49-K53 PolarHBondContact O-N 3.48Å; E49-K53 IonicContact OE1-NZ 3.99Å; E49-K53 PolarHBondContact OE1-NZ 2.76Å; Y50-K53 PolarHBondContact O-N 3.49Å; K53-Q55 VanDerWaalsContact C-N 3.34Å; K53-Q55 PolarHBondContact O-N 2.93Å; K53-T56 PolarHBondContact O-N 2.99Å; K53-S57 PolarHBondContact O-N 3.29Å; K53-V61 HydrophobicContact CB-CG1 4.07Å; K53-V61 HydrophobicContact CB-CG2 4.32Å; K53-V61 HydrophobicContact CD-CG1 4.3Å; K53-V61 HydrophobicContact CG-CG1 3.99Å; K53-D62 IonicContact NZ-OD2 2.77Å
54R87.8Confident87.8Confident174 Ų17493.1 Ų93.166%0.65751%0.505SS*.Hα-helixtrans-61.3-38.5177.3177-177.6172.5-169.4-0.2113Y50 S52Y50-R54 HydrophobicContact CE1-CB 4.44Å; Y50-R54 WeakPolarHBondContact O-CB 3.49Å; Y50-R54 PolarHBondContact O-N 3.28Å; S52-R54 PolarHBondContact O-N 3.45Å
55Q87.8Confident87.6Confident143 Ų14396 Ų9667%0.66853%0.525SS*.Hα-helixtrans-76.5-30.3-178.9-74.2178.4-28.600112.2K51 S52 K53K51-Q55 WeakPolarHBondContact O-CB 3.05Å; K51-Q55 VanDerWaalsContact O-CG 3.27Å; K51-Q55 WeakPolarHBondContact O-CG 3.34Å; K51-Q55 PolarHBondContact O-N 2.97Å; S52-Q55 PolarHBondContact O-N 2.85Å; K53-Q55 VanDerWaalsContact C-N 3.34Å; K53-Q55 PolarHBondContact O-N 2.93Å
56T82.1Confident87.5Confident116 Ų116100.4 Ų100.471%0.71254%0.543SS*.Hα-helixtrans-77.9-27.6-176.9-53.10000112.4S52 K53S52-T56 WeakPolarHBondContact O-CB 3.31Å; S52-T56 PolarHBondContact O-N 3.29Å; S52-T56 PolarHBondContact O-OG1 3.49Å; K53-T56 PolarHBondContact O-N 2.99Å
57S76.8Confident87.3Confident38 Ų3899.3 Ų99.327%0.26654%0.537SS..  trans-110.9132.4-175.682.50000114.1K53 G59 V61K53-S57 PolarHBondContact O-N 3.29Å; S57-G59 VanDerWaalsContact C-N 3.25Å; S57-G59 WeakPolarHBondContact CB-O 3.43Å; S57-G59 PolarHBondContact OG-O 2.92Å; S57-V61 WeakPolarHBondContact OG-CG2 3.34Å
58G76.6Confident87.1Confident99 Ų9999.4 Ų99.4100%1.02154%0.535SS*.SBendtrans-89.211.1161.400000112.9
59G81.9Confident87.1Confident41 Ų4198.1 Ų98.142%0.42354%0.536SS..SBendtrans-166.3-162.6-17200000111.3S57 V61S57-G59 VanDerWaalsContact C-N 3.25Å; S57-G59 WeakPolarHBondContact CB-O 3.43Å; S57-G59 PolarHBondContact OG-O 2.92Å; G59-V61 PolarHBondContact O-N 3.47Å
60P84.9Confident87.1Confident72 Ų72100.4 Ų100.447%0.46855%0.547SS..  trans-55.4131.8178.1-24.534.9000111.9T63 Y67P60-T63 HydrophobicContact CB-CG2 3.38Å; P60-Y67 HydrophobicContact CB-CE1 4.01Å; P60-Y67 HydrophobicContact CG-CD1 4.5Å; P60-Y67 HydrophobicContact CG-CE1 3.62Å
61V85.9Confident87.2Confident55 Ų5596.4 Ų96.433%0.33354%0.535SS..SBendtrans-88139.1-178.5-173.20000108.8K53 S57 G59 T63K53-V61 HydrophobicContact CB-CG1 4.07Å; K53-V61 HydrophobicContact CB-CG2 4.32Å; K53-V61 HydrophobicContact CD-CG1 4.3Å; K53-V61 HydrophobicContact CG-CG1 3.99Å; S57-V61 WeakPolarHBondContact OG-CG2 3.34Å; G59-V61 PolarHBondContact O-N 3.47Å; V61-T63 PolarHBondContact O-N 3.4Å; V61-T63 VanDerWaalsContact O-N 3.15Å
62D81.6Confident87.2Confident140 Ų14095.8 Ų95.875%0.74953%0.534SS*.SBendtrans56.427.1173-55.2-33.2000114.9K53K53-D62 IonicContact NZ-OD2 2.77Å
63T84.6Confident87.4Confident66 Ų6699.9 Ų99.941%0.40554%0.543SS..  trans-86.4131.9-179.354.40000112.8P60 V61 Y67P60-T63 HydrophobicContact CB-CG2 3.38Å; V61-T63 PolarHBondContact O-N 3.4Å; V61-T63 VanDerWaalsContact O-N 3.15Å; T63-Y67 HydrophobicContact CG2-CD1 3.92Å; T63-Y67 HydrophobicContact CG2-CD2 3.8Å; T63-Y67 HydrophobicContact CG2-CE1 4.4Å; T63-Y67 HydrophobicContact CG2-CE2 4.28Å; T63-Y67 HydrophobicContact CG2-CG 3.59Å
64G84.6Confident87.6Confident44 Ų44100.2 Ų100.245%0.45455%0.546SS..  trans-90.6-175.6168.800000113.4E66 Y67G64-E66 PolarHBondContact O-N 3.24Å; G64-Y67 WeakPolarHBondContact O-CB 3.15Å; G64-Y67 PolarHBondContact O-N 2.84Å
65P86.6Confident87.8Confident103 Ų10395.8 Ų95.867%0.66954%0.535SS*.Hα-helixtrans-62.3-23179.325.5-34.2000113.6Y67 Q68 Q69P65-Y67 VanDerWaalsContact C-N 3.32Å; P65-Y67 PolarHBondContact O-N 3.16Å; P65-Q68 PolarHBondContact O-N 3.2Å; P65-Q69 PolarHBondContact O-N 3.3Å
66E90.6Very high88Confident154 Ų15495.6 Ų95.672%0.7253%0.532SS*.Hα-helixtrans-61.1-38.5176.7-64.5172.4-177.600112.4G64 Q68 Q69 E70G64-E66 PolarHBondContact O-N 3.24Å; E66-Q68 VanDerWaalsContact C-N 3.3Å; E66-Q68 PolarHBondContact O-N 2.98Å; E66-Q69 PolarHBondContact O-N 2.9Å; E66-E70 PolarHBondContact O-N 3.07Å
67Y92Very high88.6Confident100 Ų10095.5 Ų95.539%0.39252%0.522SS..Hα-helixtrans-59.6-43.5179.4175.9-98.4000111.6P60 T63 G64 P65 E70 L71P60-Y67 HydrophobicContact CB-CE1 4.01Å; P60-Y67 HydrophobicContact CG-CD1 4.5Å; P60-Y67 HydrophobicContact CG-CE1 3.62Å; T63-Y67 HydrophobicContact CG2-CD1 3.92Å; T63-Y67 HydrophobicContact CG2-CD2 3.8Å; T63-Y67 HydrophobicContact CG2-CE1 4.4Å; T63-Y67 HydrophobicContact CG2-CE2 4.28Å; T63-Y67 HydrophobicContact CG2-CG 3.59Å; G64-Y67 WeakPolarHBondContact O-CB 3.15Å; G64-Y67 PolarHBondContact O-N 2.84Å; P65-Y67 VanDerWaalsContact C-N 3.32Å; P65-Y67 PolarHBondContact O-N 3.16Å; Y67-E70 PolarHBondContact O-N 3.34Å; Y67-L71 HydrophobicContact CE1-CD2 4.32Å; Y67-L71 VanDerWaalsContact O-CB 3.29Å; Y67-L71 WeakPolarHBondContact O-CB 3.16Å; Y67-L71 PolarHBondContact O-N 3.3Å
68Q90.3Very high89.2Confident92 Ų9297.6 Ų97.643%0.4353%0.53SS..Hα-helixtrans-67.7-38.5-179.6-173.66029.200111.4P65 E66 L71 E72P65-Q68 PolarHBondContact O-N 3.2Å; E66-Q68 VanDerWaalsContact C-N 3.3Å; E66-Q68 PolarHBondContact O-N 2.98Å; Q68-L71 PolarHBondContact O-N 3.11Å; Q68-E72 PolarHBondContact NE2-OE1 3.48Å; Q68-E72 WeakPolarHBondContact O-CB 3.48Å; Q68-E72 WeakPolarHBondContact O-CG 3.4Å; Q68-E72 PolarHBondContact O-N 3.37Å
69Q93.7Very high89.8Confident132 Ų13299.6 Ų99.662%0.61751%0.51SS*.Hα-helixtrans-64.4-43.8176.6-67.2176.91100112P65 E66 E72 K73P65-Q69 PolarHBondContact O-N 3.3Å; E66-Q69 PolarHBondContact O-N 2.9Å; Q69-E72 PolarHBondContact O-N 2.99Å; Q69-K73 WeakPolarHBondContact O-CB 3.26Å; Q69-K73 PolarHBondContact O-N 3.06Å
70E93.6Very high90.2Very high125 Ų125103.9 Ų103.958%0.58452%0.519SS*.Hα-helixtrans-66-42177.1-171.9170.7-154.900111.4E66 Y67 E72 K73 E74E66-E70 PolarHBondContact O-N 3.07Å; Y67-E70 PolarHBondContact O-N 3.34Å; E70-E72 PolarHBondContact O-N 3.44Å; E70-K73 PolarHBondContact O-N 3.01Å; E70-E74 PolarHBondContact O-N 3.13Å
71L94.2Very high90.5Very high66 Ų66105.9 Ų105.935%0.34652%0.524SS..Hα-helixtrans-58.5-46.7175179.863.3000111.7Y67 Q68 K73 E74 L75Y67-L71 HydrophobicContact CE1-CD2 4.32Å; Y67-L71 VanDerWaalsContact O-CB 3.29Å; Y67-L71 WeakPolarHBondContact O-CB 3.16Å; Y67-L71 PolarHBondContact O-N 3.3Å; Q68-L71 PolarHBondContact O-N 3.11Å; L71-K73 VanDerWaalsContact C-N 3.35Å; L71-E74 PolarHBondContact O-N 3.22Å; L71-L75 HydrophobicContact CD1-CD1 4.19Å; L71-L75 HydrophobicContact CD1-CG 4.36Å; L71-L75 HydrophobicContact CG-CD1 4.02Å; L71-L75 VanDerWaalsContact O-CB 3.32Å; L71-L75 WeakPolarHBondContact O-CB 3.17Å; L71-L75 VanDerWaalsContact O-CG 3.26Å; L71-L75 WeakPolarHBondContact O-CG 3.3Å; L71-L75 PolarHBondContact O-N 2.88Å
72E93.4Very high90.5Very high110 Ų110110.3 Ų110.351%0.51454%0.539SS..Hα-helixtrans-65-39.1178.2-76.1173.9-165.400112.3Q68 Q69 E70 L75 F76Q68-E72 PolarHBondContact NE2-OE1 3.48Å; Q68-E72 WeakPolarHBondContact O-CB 3.48Å; Q68-E72 WeakPolarHBondContact O-CG 3.4Å; Q68-E72 PolarHBondContact O-N 3.37Å; Q69-E72 PolarHBondContact O-N 2.99Å; E70-E72 PolarHBondContact O-N 3.44Å; E72-L75 PolarHBondContact O-N 2.89Å; E72-F76 VanDerWaalsContact O-CB 3.3Å; E72-F76 WeakPolarHBondContact O-CB 3.44Å; E72-F76 PolarHBondContact O-N 3.27Å
73K95.8Very high90.5Very high151 Ų151105.2 Ų105.266%0.65752%0.519SS*.Hα-helixtrans-63-46.5176.1-177.4-175.8174.9-171.80111.8Q69 E70 L71 F76 K77Q69-K73 WeakPolarHBondContact O-CB 3.26Å; Q69-K73 PolarHBondContact O-N 3.06Å; E70-K73 PolarHBondContact O-N 3.01Å; L71-K73 VanDerWaalsContact C-N 3.35Å; K73-F76 PolarHBondContact O-N 3.38Å; K73-K77 PolarHBondContact O-N 3.26Å
74E94.3Very high90.3Very high83 Ų83111.5 Ų111.539%0.38854%0.541SS..Hα-helixtrans-68.3-39.9177.9-71-59.7154.800111.6E70 L71 F76 K77 L78E70-E74 PolarHBondContact O-N 3.13Å; L71-E74 PolarHBondContact O-N 3.22Å; E74-F76 VanDerWaalsContact C-N 3.31Å; E74-F76 PolarHBondContact O-N 2.88Å; E74-K77 WeakPolarHBondContact O-CB 3.3Å; E74-K77 PolarHBondContact O-N 3.37Å; E74-L78 WeakPolarHBondContact O-CG 3Å; E74-L78 PolarHBondContact O-N 3.37Å
75L92.3Very high90.2Very high82 Ų82112.5 Ų112.543%0.42955%0.545SS..Hα-helixtrans-61.9-38.7173-77.3172.9000112.2L71 E72 L78 K79L71-L75 HydrophobicContact CD1-CD1 4.19Å; L71-L75 HydrophobicContact CD1-CG 4.36Å; L71-L75 HydrophobicContact CG-CD1 4.02Å; L71-L75 VanDerWaalsContact O-CB 3.32Å; L71-L75 WeakPolarHBondContact O-CB 3.17Å; L71-L75 VanDerWaalsContact O-CG 3.26Å; L71-L75 WeakPolarHBondContact O-CG 3.3Å; L71-L75 PolarHBondContact O-N 2.88Å; E72-L75 PolarHBondContact O-N 2.89Å; L75-L78 HydrophobicContact CD2-CD1 4.49Å; L75-L78 PolarHBondContact O-N 2.72Å; L75-K79 WeakPolarHBondContact O-CG 3.29Å; L75-K79 PolarHBondContact O-N 2.94Å
76F92.3Very high90.1Very high138 Ų138111.6 Ų111.661%0.60554%0.535SS*.Hα-helixtrans-64.1-44.5175.6178.2-98.3000111.6E72 K73 E74 L78 K79 Q80E72-F76 VanDerWaalsContact O-CB 3.3Å; E72-F76 WeakPolarHBondContact O-CB 3.44Å; E72-F76 PolarHBondContact O-N 3.27Å; K73-F76 PolarHBondContact O-N 3.38Å; E74-F76 VanDerWaalsContact C-N 3.31Å; E74-F76 PolarHBondContact O-N 2.88Å; F76-L78 VanDerWaalsContact C-N 3.33Å; F76-L78 PolarHBondContact O-N 3.23Å; F76-K79 PolarHBondContact O-N 2.71Å; F76-Q80 PolarHBondContact O-N 2.87Å
77K93.7Very high89.7Confident115 Ų115110.7 Ų110.750%0.553%0.532SS..Hα-helixtrans-58.6-44.9175-178.1-178.3174-170.50111.5K73 E74 K79 Q80 M81K73-K77 PolarHBondContact O-N 3.26Å; E74-K77 WeakPolarHBondContact O-CB 3.3Å; E74-K77 PolarHBondContact O-N 3.37Å; K77-K79 PolarHBondContact O-N 3.33Å; K77-Q80 PolarHBondContact O-N 3.5Å; K77-M81 WeakPolarHBondContact O-CG 3.08Å; K77-M81 PolarHBondContact O-N 2.99Å
78L91.2Very high89.5Confident81 Ų81113 Ų11342%0.42455%0.551SS.*Hα-helixtrans-59.4-46.7175.5-73.2169.1000111.8E74 L75 F76 Q80 M81 F82E74-L78 WeakPolarHBondContact O-CG 3Å; E74-L78 PolarHBondContact O-N 3.37Å; L75-L78 HydrophobicContact CD2-CD1 4.49Å; L75-L78 PolarHBondContact O-N 2.72Å; F76-L78 VanDerWaalsContact C-N 3.33Å; F76-L78 PolarHBondContact O-N 3.23Å; L78-Q80 VanDerWaalsContact C-N 3.26Å; L78-Q80 PolarHBondContact O-N 3.17Å; L78-M81 HydrophobicContact CD2-CE 4.04Å; L78-M81 PolarHBondContact O-N 2.99Å; L78-F82 HydrophobicContact CD2-CD2 4.26Å; L78-F82 HydrophobicContact CD2-CE2 3.88Å; L78-F82 WeakPolarHBondContact O-CD2 3.47Å; L78-F82 PolarHBondContact O-N 3.42Å
79K88.9Confident89.4Confident141 Ų141112.8 Ų112.861%0.61356%0.556SS**Hα-helixtrans-60.4-35176.1-73.3176.2-179.8-179.40112.7L75 F76 K77 G83L75-K79 WeakPolarHBondContact O-CG 3.29Å; L75-K79 PolarHBondContact O-N 2.94Å; F76-K79 PolarHBondContact O-N 2.71Å; K77-K79 PolarHBondContact O-N 3.33Å; K79-G83 CarbonylContact O-C 3.46Å; K79-G83 VanDerWaalsContact O-C 3.26Å; K79-G83 WeakPolarHBondContact O-CA 3.15Å; K79-G83 PolarHBondContact O-N 3.49Å; K79-G83 VanDerWaalsContact O-O 3.13Å
80Q90.2Very high89Confident131 Ų131114.6 Ų114.661%0.61256%0.563SS**Hα-helixtrans-69.9-38.6177-171.563.425.400112F76 K77 L78F76-Q80 PolarHBondContact O-N 2.87Å; K77-Q80 PolarHBondContact O-N 3.5Å; L78-Q80 VanDerWaalsContact C-N 3.26Å; L78-Q80 PolarHBondContact O-N 3.17Å
81M91.1Very high88.8Confident115 Ų115112.1 Ų112.157%0.56756%0.557SS**Hα-helixtrans-73.7-43.1179.9-65.9-172.4-2700112.9K77 L78K77-M81 WeakPolarHBondContact O-CG 3.08Å; K77-M81 PolarHBondContact O-N 2.99Å; L78-M81 HydrophobicContact CD2-CE 4.04Å; L78-M81 PolarHBondContact O-N 2.99Å
82F86.6Confident88.5Confident148 Ų148115 Ų11565%0.64958%0.578SS**Hα-helixtrans-96.1-0.7-173.4-66.3-74.3000113.7L78L78-F82 HydrophobicContact CD2-CD2 4.26Å; L78-F82 HydrophobicContact CD2-CE2 3.88Å; L78-F82 WeakPolarHBondContact O-CD2 3.47Å; L78-F82 PolarHBondContact O-N 3.42Å
83G81.4Confident88.1Confident32 Ų32115.9 Ų115.933%0.3358%0.58SS.*  trans83.8170.2-179.700000113.4K79 A85K79-G83 CarbonylContact O-C 3.46Å; K79-G83 VanDerWaalsContact O-C 3.26Å; K79-G83 WeakPolarHBondContact O-CA 3.15Å; K79-G83 PolarHBondContact O-N 3.49Å; K79-G83 VanDerWaalsContact O-O 3.13Å; G83-A85 PolarHBondContact O-N 3.39Å
84K80.6Confident87.6Confident198 Ų198118.3 Ų118.386%0.86159%0.59SS**SBendtrans-88.124-174.6-59.2-177.2-178.9179.60113.6
85A80.8Confident87.1Confident66 Ų66120.8 Ų120.855%0.54560%0.6SS.*  trans-71.1152.9179.600000110.8G83 M87G83-A85 PolarHBondContact O-N 3.39Å; A85-M87 HydrophobicContact CB-CE 4.16Å; A85-M87 WeakPolarHBondContact O-CE 3.24Å; A85-M87 PolarHBondContact O-N 3.28Å
86D84.3Confident86.8Confident83 Ų83123.6 Ų123.644%0.44461%0.611SS.*  trans-69.7123168.3179.714.7000109.1N88 T89D86-N88 PolarHBondContact O-N 2.88Å; D86-N88 WeakPolarHBondContact OD1-CB 3.45Å; D86-N88 PolarHBondContact OD1-N 2.91Å; D86-N88 PolarHBondContact OD1-ND2 3.46Å; D86-T89 WeakPolarHBondContact OD2-CG2 3.34Å; D86-T89 PolarHBondContact OD2-OG1 3.35Å
87M83.1Confident86.1Confident135 Ų135123.8 Ų123.867%0.66561%0.614SS**THydrogen-bonded Turntrans-78.1-11.5-178.5-60.6-67.9131.100112.4A85A85-M87 HydrophobicContact CB-CE 4.16Å; A85-M87 WeakPolarHBondContact O-CE 3.24Å; A85-M87 PolarHBondContact O-N 3.28Å
88N88.1Confident85.3Confident149 Ų149123.6 Ų123.680%0.79762%0.615SS**THydrogen-bonded Turntrans-89.5-13.7179.5-56.3-66.5000113D86D86-N88 PolarHBondContact O-N 2.88Å; D86-N88 WeakPolarHBondContact OD1-CB 3.45Å; D86-N88 PolarHBondContact OD1-N 2.91Å; D86-N88 PolarHBondContact OD1-ND2 3.46Å
89T86.9Confident84.6Confident87 Ų87125.3 Ų125.353%0.53462%0.619SS.*SBendtrans-120.9134.8-176.959.60000111.1D86D86-T89 WeakPolarHBondContact OD2-CG2 3.34Å; D86-T89 PolarHBondContact OD2-OG1 3.35Å
90F87.1Confident84Confident171 Ų171120.9 Ų120.975%0.7561%0.605SS**PPolyproline II helixtrans-68.1136.3173.8-168.8-98.4000110.5F93F90-F93 HydrophobicContact CE1-CD2 4.38Å; F90-F93 AromaticContact CE1-CE2 3.72Å; F90-F93 HydrophobicContact CE1-CE2 3.72Å; F90-F93 AromaticContact CZ-CE2 3.88Å; F90-F93 HydrophobicContact CZ-CE2 3.88Å
91P89Confident83.2Confident72 Ų72120.4 Ų120.447%0.46860%0.603SS.*PPolyproline II helixtrans-66.5143.6-177.726.7-35000112F93P91-F93 HydrophobicContact CB-CZ 4.45Å; P91-F93 HydrophobicContact CG-CE2 3.95Å; P91-F93 HydrophobicContact CG-CZ 3.76Å
92T87.1Confident82.4Confident127 Ų127119.8 Ų119.878%0.77960%0.599SS**PPolyproline II helixtrans-88.5120.9167.1-570000109
93F86.2Confident81.7Confident129 Ų129117.5 Ų117.557%0.56659%0.593SS**PPolyproline II helixtrans-85.4127.5177.6-62.9-84.3000110.4F90 P91 F95F90-F93 HydrophobicContact CE1-CD2 4.38Å; F90-F93 AromaticContact CE1-CE2 3.72Å; F90-F93 HydrophobicContact CE1-CE2 3.72Å; F90-F93 AromaticContact CZ-CE2 3.88Å; F90-F93 HydrophobicContact CZ-CE2 3.88Å; P91-F93 HydrophobicContact CB-CZ 4.45Å; P91-F93 HydrophobicContact CG-CE2 3.95Å; P91-F93 HydrophobicContact CG-CZ 3.76Å; F93-F95 HydrophobicContact CB-CE2 3.96Å; F93-F95 HydrophobicContact CB-CZ 3.87Å
94K85Confident81.4Confident201 Ų201124.9 Ų124.987%0.87461%0.611SS**  trans-109.7118.6166.8-66.4-173.7-179.1-177.50107.6
95F83.8Confident81.2Confident135 Ų135119.5 Ų119.559%0.59260%0.598SS**  trans-90141.1178.7-60.4-80000109.8F93F93-F95 HydrophobicContact CB-CE2 3.96Å; F93-F95 HydrophobicContact CB-CZ 3.87Å
96E85.6Confident80.8Confident142 Ų142125.6 Ų125.666%0.66461%0.607SS**  trans-66.5153.4173.4-151.1117.5-152.600110.4H98 F99 S100E96-H98 VanDerWaalsContact C-N 3.31Å; E96-H98 WeakPolarHBondContact CG-ND1 3.35Å; E96-H98 PolarHBondContact O-N 3.48Å; E96-F99 PolarHBondContact O-N 3.33Å; E96-F99 VanDerWaalsContact O-N 3.13Å; E96-S100 PolarHBondContact O-N 3.34Å; E96-S100 VanDerWaalsContact O-N 3.07Å; E96-S100 PolarHBondContact O-OG 3.16Å; E96-S100 VanDerWaalsContact O-OG 3.14Å
97E77.7Confident80.3Confident142 Ų142128.3 Ų128.366%0.66462%0.617SS**Hα-helixtrans-62.6-36.6-168.8-170.6165.6-173.600112.9F99 S100 Q101E97-F99 PolarHBondContact O-N 3.35Å; E97-S100 WeakPolarHBondContact O-CB 3.48Å; E97-S100 PolarHBondContact O-N 3.44Å; E97-Q101 WeakPolarHBondContact O-CG 3.44Å; E97-Q101 PolarHBondContact O-N 2.84Å
98H77.6Confident79.5Confident110 Ų110125.8 Ų125.851%0.50961%0.611SS.*Hα-helixtrans-63.7-38.1177.168-85.2000113E96 H102E96-H98 VanDerWaalsContact C-N 3.31Å; E96-H98 WeakPolarHBondContact CG-ND1 3.35Å; E96-H98 PolarHBondContact O-N 3.48Å; H98-H102 PolarHBondContact O-N 2.97Å; H98-H102 VanDerWaalsContact O-N 3.11Å
99F76.4Confident78.5Confident118 Ų118122.2 Ų122.252%0.51860%0.598SS.*Hα-helixtrans-68.6-38.9173.5-96-78.6000111.5E96 E97 Q101 H102 L103E96-F99 PolarHBondContact O-N 3.33Å; E96-F99 VanDerWaalsContact O-N 3.13Å; E97-F99 PolarHBondContact O-N 3.35Å; F99-Q101 VanDerWaalsContact C-N 3.34Å; F99-Q101 PolarHBondContact O-N 3.25Å; F99-H102 PolarHBondContact O-N 3.11Å; F99-L103 WeakPolarHBondContact O-CG 3.39Å; F99-L103 PolarHBondContact O-N 2.8Å
100S74.8Confident77.4Confident47 Ų47128.1 Ų128.133%0.32961%0.61SS.*Hα-helixtrans-65.4-38.3178.2-57.50000112E96 E97 R104E96-S100 PolarHBondContact O-N 3.34Å; E96-S100 VanDerWaalsContact O-N 3.07Å; E96-S100 PolarHBondContact O-OG 3.16Å; E96-S100 VanDerWaalsContact O-OG 3.14Å; E97-S100 WeakPolarHBondContact O-CB 3.48Å; E97-S100 PolarHBondContact O-N 3.44Å; S100-R104 WeakPolarHBondContact O-CB 3.19Å; S100-R104 PolarHBondContact O-N 2.85Å; S100-R104 VanDerWaalsContact O-N 3.07Å
101Q73.1Confident76.3Confident122 Ų122125.8 Ų125.857%0.5761%0.605SS**Hα-helixtrans-66.4-43174.2-71.9174.87.900111.7E97 F99 R104 S105E97-Q101 WeakPolarHBondContact O-CG 3.44Å; E97-Q101 PolarHBondContact O-N 2.84Å; F99-Q101 VanDerWaalsContact C-N 3.34Å; F99-Q101 PolarHBondContact O-N 3.25Å; Q101-R104 PolarHBondContact O-N 3.23Å; Q101-S105 PolarHBondContact O-N 3.33Å; Q101-S105 VanDerWaalsContact O-N 3.08Å
102H75.2Confident75Confident102 Ų102126.3 Ų126.347%0.47260%0.604SS.*Hα-helixtrans-62.4-45.3176.4-171.963.4000111.9H98 F99 R104 S105 W106H98-H102 PolarHBondContact O-N 2.97Å; H98-H102 VanDerWaalsContact O-N 3.11Å; F99-H102 PolarHBondContact O-N 3.11Å; H102-R104 VanDerWaalsContact C-N 3.32Å; H102-R104 PolarHBondContact O-N 3.26Å; H102-S105 WeakPolarHBondContact O-CB 3.43Å; H102-S105 PolarHBondContact O-N 3.23Å; H102-S105 VanDerWaalsContact O-N 3.09Å; H102-S105 PolarHBondContact O-OG 2.92Å; H102-W106 AromaticContact CD2-NE1 3.92Å; H102-W106 AromaticContact CE1-NE1 3.33Å; H102-W106 PolarHBondContact CE1-NE1 3.3Å; H102-W106 VanDerWaalsContact CE1-NE1 3.33Å; H102-W106 AromaticContact NE2-CD1 3.8Å; H102-W106 AromaticContact NE2-NE1 3.14Å; H102-W106 PolarHBondContact NE2-NE1 3.02Å; H102-W106 VanDerWaalsContact NE2-NE1 3.14Å; H102-W106 VanDerWaalsContact O-CD1 3.29Å
103L72.4Confident73.7Confident99 Ų99125.5 Ų125.552%0.51859%0.592SS.*Hα-helixtrans-62.9-38.1177.2-71171000112.5F99 S105 W106F99-L103 WeakPolarHBondContact O-CG 3.39Å; F99-L103 PolarHBondContact O-N 2.8Å; L103-S105 PolarHBondContact O-N 2.9Å; L103-W106 PolarHBondContact O-N 2.9Å
104R73.9Confident72.3Confident187 Ų187124.3 Ų124.371%0.70659%0.59SS**Hα-helixtrans-64.5-30.3174.9-168.7179.7-65.4-154.70.1112.4S100 Q101 H102 W106 Q107S100-R104 WeakPolarHBondContact O-CB 3.19Å; S100-R104 PolarHBondContact O-N 2.85Å; S100-R104 VanDerWaalsContact O-N 3.07Å; Q101-R104 PolarHBondContact O-N 3.23Å; H102-R104 VanDerWaalsContact C-N 3.32Å; H102-R104 PolarHBondContact O-N 3.26Å; R104-W106 VanDerWaalsContact C-N 3.25Å; R104-W106 PolarHBondContact O-N 2.89Å; R104-Q107 WeakPolarHBondContact O-CB 3.14Å; R104-Q107 PolarHBondContact O-N 3.45Å
105S76.5Confident71Confident85 Ų85120.4 Ų120.459%0.59458%0.578SS**Hα-helixtrans-70-21.1177.777.10000113.9Q101 H102 L103Q101-S105 PolarHBondContact O-N 3.33Å; Q101-S105 VanDerWaalsContact O-N 3.08Å; H102-S105 WeakPolarHBondContact O-CB 3.43Å; H102-S105 PolarHBondContact O-N 3.23Å; H102-S105 VanDerWaalsContact O-N 3.09Å; H102-S105 PolarHBondContact O-OG 2.92Å; L103-S105 PolarHBondContact O-N 2.9Å
106W72.5Confident69.8Low194 Ų194120.2 Ų120.274%0.73558%0.582SS**THydrogen-bonded Turntrans-90.9-5.3173.8-7297.7000113.4H102 L103 R104H102-W106 AromaticContact CD2-NE1 3.92Å; H102-W106 AromaticContact CE1-NE1 3.33Å; H102-W106 PolarHBondContact CE1-NE1 3.3Å; H102-W106 VanDerWaalsContact CE1-NE1 3.33Å; H102-W106 AromaticContact NE2-CD1 3.8Å; H102-W106 AromaticContact NE2-NE1 3.14Å; H102-W106 PolarHBondContact NE2-NE1 3.02Å; H102-W106 VanDerWaalsContact NE2-NE1 3.14Å; H102-W106 VanDerWaalsContact O-CD1 3.29Å; L103-W106 PolarHBondContact O-N 2.9Å; R104-W106 VanDerWaalsContact C-N 3.25Å; R104-W106 PolarHBondContact O-N 2.89Å
107Q73.6Confident68.3Low141 Ų141120.5 Ų120.566%0.65959%0.587SS**SBendtrans-77125.4173.1-108.6173.2-47.700108.9R104 S109R104-Q107 WeakPolarHBondContact O-CB 3.14Å; R104-Q107 PolarHBondContact O-N 3.45Å; Q107-S109 PolarHBondContact O-N 3.22Å
108P66.3Low67Low82 Ų82120 Ų12053%0.53259%0.589SS.*PPolyproline II helixtrans-54.5141173.9-21.631.6000110.1R110P108-R110 PolarHBondContact O-N 3.42Å
109S67.6Low65.7Low74 Ų74122.8 Ų122.852%0.51762%0.621SS.*PPolyproline II helixtrans-60.3140171.3-76.50000108.3Q107 D111 D112Q107-S109 PolarHBondContact O-N 3.22Å; S109-D111 PolarHBondContact O-N 2.96Å; S109-D112 WeakPolarHBondContact O-CB 3.27Å; S109-D112 PolarHBondContact O-N 3.43Å
110R64.1Low65.1Low210 Ų210123.1 Ų123.179%0.79263%0.626SS**Hα-helixtrans-54.8-21179.4-90-172.6-86.7162.6-6.5113.4P108 D112P108-R110 PolarHBondContact O-N 3.42Å; R110-D112 VanDerWaalsContact C-N 3.31Å
111D63.9Low64.6Low122 Ų122127.1 Ų127.165%0.65264%0.642SS**Hα-helixtrans-70.5-26.8176.6-54.1-32000112.5S109S109-D111 PolarHBondContact O-N 2.96Å
112D61.2Low64.1Low83 Ų83127.3 Ų127.344%0.44465%0.646SS.*Hα-helixtrans-82.8-27.2-179.8-58.3-35.8000112.4S109 R110 L115S109-D112 WeakPolarHBondContact O-CB 3.27Å; S109-D112 PolarHBondContact O-N 3.43Å; R110-D112 VanDerWaalsContact C-N 3.31Å; D112-L115 PolarHBondContact O-N 2.83Å
113E59.6Low63.5Low111 Ų111128.8 Ų128.852%0.51966%0.656SS.*Hα-helixtrans-68.5-32.6176.3-75-175.9164.300112.5L115 I116E113-L115 VanDerWaalsContact C-N 3.29Å; E113-L115 PolarHBondContact O-N 3Å; E113-I116 PolarHBondContact O-N 3.32Å
114I57.9Low62.9Low103 Ų103130.7 Ų130.753%0.52867%0.665SS.*Hα-helixtrans-69.9-28-179.7-59177.9000111.3N118I114-N118 PolarHBondContact O-ND2 3.06Å
115L57.6Low62.2Low119 Ų119126.9 Ų126.962%0.62366%0.662SS**Hα-helixtrans-76.5-30.3179.6-66.6172.9000112.6D112 E113 S119D112-L115 PolarHBondContact O-N 2.83Å; E113-L115 VanDerWaalsContact C-N 3.29Å; E113-L115 PolarHBondContact O-N 3Å; L115-S119 PolarHBondContact O-OG 3.13Å
116I58.3Low61.2Low131 Ų131129.9 Ų129.967%0.67267%0.667SS**Hα-helixtrans-77-31-178.3-60.2169.5000111.6E113 N118E113-I116 PolarHBondContact O-N 3.32Å; I116-N118 VanDerWaalsContact C-N 3.34Å
117L54.2Low60.3Low148 Ų148125 Ų12578%0.77566%0.662SS**THydrogen-bonded Turntrans-82.9-8.2-179.4-66.8174.5000114.3
118N49.9Very low59.2Low131 Ų131123.7 Ų123.770%0.70166%0.662SS**THydrogen-bonded Turntrans-112.412.1-178.8-70.2-50.9000113.5I114 I116I114-N118 PolarHBondContact O-ND2 3.06Å; I116-N118 VanDerWaalsContact C-N 3.34Å
119S50Low58.6Low170 Ų170127.5 Ų127.5100%1.18967%0.674SS**  trans-105.50173.8-63.80000112.4L115L115-S119 PolarHBondContact O-OG 3.13Å

Retrieved 119 of 119 residues in 38.4 ms (Link to these results)