A0A077ZHU8_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077ZHU8, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 148 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
1M48Very low49Very low203 Ų203109.5 Ų109.5100%157%0.567SS**  0-12.80-105.6177.8-167.900113
2D56.7Low49.9Very low113 Ų113106.3 Ų106.360%0.60456%0.556SS**Hα-helixtrans-67.6-42-170.4-75.8-94000117.6I4 K6D2-I4 PolarHBondContact O-N 3.05Å; D2-K6 WeakPolarHBondContact O-CB 3.26Å; D2-K6 VanDerWaalsContact O-CG 3.26Å; D2-K6 WeakPolarHBondContact O-CG 3.41Å; D2-K6 PolarHBondContact O-N 3.49Å; D2-K6 VanDerWaalsContact O-N 3.09Å
3A43.7Very low50.4Low66 Ų66102.5 Ų102.555%0.54554%0.539SS..Hα-helixtrans-67.8-42.4-170.400000112.8K6 I7A3-K6 PolarHBondContact O-N 3.09Å; A3-I7 WeakPolarHBondContact O-CD1 3.5Å; A3-I7 WeakPolarHBondContact O-CG1 3.47Å; A3-I7 PolarHBondContact O-N 3.17Å
4I44.8Very low50.5Low124 Ų12495.2 Ų95.264%0.63650%0.501SS*.Hα-helixtrans-67.6-41.4-176.6-60.7173.2000111.1D2 I7 K8D2-I4 PolarHBondContact O-N 3.05Å; I4-I7 PolarHBondContact O-N 3.42Å; I4-K8 WeakPolarHBondContact O-CG 3.39Å; I4-K8 PolarHBondContact O-N 3.35Å
5I52.7Low50.8Low99 Ų9993.1 Ų93.151%0.50849%0.491SS..Hα-helixtrans-64.6-47177.2-62.7174.5000109.5I7 K8 E9I5-I7 VanDerWaalsContact C-N 3.33Å; I5-I7 PolarHBondContact O-N 2.93Å; I5-K8 PolarHBondContact O-N 2.92Å; I5-E9 WeakPolarHBondContact O-CB 3.4Å; I5-E9 PolarHBondContact O-N 3.44Å
6K48Very low51.2Low128 Ų12896.9 Ų96.956%0.55750%0.502SS*.Hα-helixtrans-56.5-45.2176-74.3177.5-177-178.30111.9D2 A3 K8 E9 L10D2-K6 WeakPolarHBondContact O-CB 3.26Å; D2-K6 VanDerWaalsContact O-CG 3.26Å; D2-K6 WeakPolarHBondContact O-CG 3.41Å; D2-K6 PolarHBondContact O-N 3.49Å; D2-K6 VanDerWaalsContact O-N 3.09Å; A3-K6 PolarHBondContact O-N 3.09Å; K6-K8 PolarHBondContact O-N 2.88Å; K6-E9 PolarHBondContact O-N 2.94Å; K6-L10 WeakPolarHBondContact O-CB 3.2Å; K6-L10 PolarHBondContact O-N 3.5Å
7I47Very low51.4Low112 Ų11292.6 Ų92.657%0.57448%0.48SS*.Hα-helixtrans-62-44.1177.9-68.4161.7000111.5A3 I4 I5 L10 A11A3-I7 WeakPolarHBondContact O-CD1 3.5Å; A3-I7 WeakPolarHBondContact O-CG1 3.47Å; A3-I7 PolarHBondContact O-N 3.17Å; I4-I7 PolarHBondContact O-N 3.42Å; I5-I7 VanDerWaalsContact C-N 3.33Å; I5-I7 PolarHBondContact O-N 2.93Å; I7-L10 WeakPolarHBondContact O-CB 3.41Å; I7-L10 PolarHBondContact O-N 3.37Å; I7-A11 WeakPolarHBondContact O-CB 3.41Å; I7-A11 PolarHBondContact O-N 3.39Å
8K49.6Very low51.5Low147 Ų14787.6 Ų87.664%0.63945%0.454SS*.Hα-helixtrans-64.6-41.3177.8-74.4-179.676.6178.40112I4 I5 K6 A11 T12I4-K8 WeakPolarHBondContact O-CG 3.39Å; I4-K8 PolarHBondContact O-N 3.35Å; I5-K8 PolarHBondContact O-N 2.92Å; K6-K8 PolarHBondContact O-N 2.88Å; K8-A11 PolarHBondContact O-N 2.73Å; K8-T12 WeakPolarHBondContact O-CB 3.33Å; K8-T12 PolarHBondContact O-N 2.96Å; K8-T12 PolarHBondContact O-OG1 3.47Å
9E52.7Low51.5Low124 Ų12488.2 Ų88.258%0.57946%0.461SS*.Hα-helixtrans-65.4-44.8177.4-166169-17200111I5 K6 A11 T12 V13I5-E9 WeakPolarHBondContact O-CB 3.4Å; I5-E9 PolarHBondContact O-N 3.44Å; K6-E9 PolarHBondContact O-N 2.94Å; E9-A11 PolarHBondContact O-N 2.85Å; E9-T12 WeakPolarHBondContact O-CB 3.43Å; E9-T12 PolarHBondContact O-N 3Å; E9-T12 VanDerWaalsContact O-N 3.11Å; E9-V13 WeakPolarHBondContact O-CG2 3.46Å; E9-V13 PolarHBondContact O-N 2.84Å
10L45.8Very low51.5Low48 Ų4885.5 Ų85.525%0.25145%0.45SS..Hα-helixtrans-55.4-49.4173.2-130.469.3000112.2K6 I7 T12 V13 G14 I48K6-L10 WeakPolarHBondContact O-CB 3.2Å; K6-L10 PolarHBondContact O-N 3.5Å; I7-L10 WeakPolarHBondContact O-CB 3.41Å; I7-L10 PolarHBondContact O-N 3.37Å; L10-T12 VanDerWaalsContact C-N 3.27Å; L10-T12 PolarHBondContact O-N 3.4Å; L10-V13 PolarHBondContact O-N 3.22Å; L10-G14 PolarHBondContact O-N 3.36Å; L10-I48 HydrophobicContact CD1-CB 4.35Å; L10-I48 HydrophobicContact CD1-CD1 4.22Å; L10-I48 HydrophobicContact CD1-CG1 3.62Å; L10-I48 HydrophobicContact CD2-CB 4.13Å; L10-I48 HydrophobicContact CD2-CG1 4.32Å; L10-I48 HydrophobicContact CD2-CG2 3.77Å; L10-I48 HydrophobicContact CG-CB 3.91Å; L10-I48 HydrophobicContact CG-CD1 4.09Å; L10-I48 HydrophobicContact CG-CG1 3.61Å; L10-I48 HydrophobicContact CG-CG2 3.63Å
11A49.6Very low51.4Low41 Ų4185.9 Ų85.934%0.33946%0.46SS..Hα-helixtrans-63.8-36.1178.800000111.2I7 K8 E9 N15I7-A11 WeakPolarHBondContact O-CB 3.41Å; I7-A11 PolarHBondContact O-N 3.39Å; K8-A11 PolarHBondContact O-N 2.73Å; E9-A11 PolarHBondContact O-N 2.85Å; A11-N15 VanDerWaalsContact O-CB 3.3Å; A11-N15 WeakPolarHBondContact O-CB 3.21Å; A11-N15 PolarHBondContact O-N 3.46Å; A11-N15 PolarHBondContact O-ND2 3.13Å
12T60Low51.5Low71 Ų7181.6 Ų81.644%0.43644%0.437SS..Hα-helixtrans-68.6-45.8177.4-57.10000111.2K8 E9 L10 N15 K16K8-T12 WeakPolarHBondContact O-CB 3.33Å; K8-T12 PolarHBondContact O-N 2.96Å; K8-T12 PolarHBondContact O-OG1 3.47Å; E9-T12 WeakPolarHBondContact O-CB 3.43Å; E9-T12 PolarHBondContact O-N 3Å; E9-T12 VanDerWaalsContact O-N 3.11Å; L10-T12 VanDerWaalsContact C-N 3.27Å; L10-T12 PolarHBondContact O-N 3.4Å; T12-N15 PolarHBondContact O-N 3.11Å; T12-K16 WeakPolarHBondContact O-CG 3.36Å; T12-K16 PolarHBondContact O-N 3.43Å
13V56.1Low51.2Low56 Ų5676.3 Ų76.334%0.33941%0.409SS..Hα-helixtrans-64.8-46177.4174.10000110.7E9 L10 N15 K16 L17 L46 I48E9-V13 WeakPolarHBondContact O-CG2 3.46Å; E9-V13 PolarHBondContact O-N 2.84Å; L10-V13 PolarHBondContact O-N 3.22Å; V13-N15 PolarHBondContact O-N 2.85Å; V13-K16 PolarHBondContact O-N 3.46Å; V13-L17 HydrophobicContact CG1-CD1 4.16Å; V13-L17 WeakPolarHBondContact O-CG 3.34Å; V13-L17 PolarHBondContact O-N 3.35Å; V13-L46 HydrophobicContact CG1-CD1 4.1Å; V13-I48 HydrophobicContact CB-CD1 4.47Å; V13-I48 HydrophobicContact CG1-CD1 4.14Å
14G52.9Low51.5Low1 Ų179.4 Ų79.41%0.0141%0.412CS..Hα-helixtrans-58.8-46.317600000112.2L10 K16 L17 L18L10-G14 PolarHBondContact O-N 3.36Å; G14-K16 PolarHBondContact O-N 3.24Å; G14-L17 PolarHBondContact O-N 2.94Å; G14-L18 WeakPolarHBondContact O-CB 3.3Å; G14-L18 VanDerWaalsContact O-CD1 3.26Å; G14-L18 WeakPolarHBondContact O-CD1 3.26Å; G14-L18 WeakPolarHBondContact O-CG 3.29Å; G14-L18 PolarHBondContact O-N 3.07Å
15N54.8Low51.8Low64 Ų6477 Ų7734%0.34241%0.41SS..Hα-helixtrans-63.3-40.3176.5-76.6-47.3000112.3A11 T12 V13 L18 V19 K58A11-N15 VanDerWaalsContact O-CB 3.3Å; A11-N15 WeakPolarHBondContact O-CB 3.21Å; A11-N15 PolarHBondContact O-N 3.46Å; A11-N15 PolarHBondContact O-ND2 3.13Å; T12-N15 PolarHBondContact O-N 3.11Å; V13-N15 PolarHBondContact O-N 2.85Å; N15-L18 PolarHBondContact O-N 2.97Å; N15-V19 VanDerWaalsContact O-CG2 3.29Å; N15-V19 WeakPolarHBondContact O-CG2 3.42Å; N15-V19 PolarHBondContact O-N 3.44Å; N15-K58 WeakPolarHBondContact OD1-CE 3.32Å; N15-K58 PolarHBondContact OD1-NZ 2.85Å; N15-K58 VanDerWaalsContact OD1-NZ 3.07Å
16K57.6Low51.7Low154 Ų15472.3 Ų72.367%0.6739%0.386SS*.Hα-helixtrans-64.3-43.2176.5-75.7179.6179.5-178.10112T12 V13 G14 L18 V19 S20T12-K16 WeakPolarHBondContact O-CG 3.36Å; T12-K16 PolarHBondContact O-N 3.43Å; V13-K16 PolarHBondContact O-N 3.46Å; G14-K16 PolarHBondContact O-N 3.24Å; K16-L18 VanDerWaalsContact C-N 3.3Å; K16-L18 PolarHBondContact O-N 3.04Å; K16-V19 PolarHBondContact O-N 3.47Å; K16-S20 PolarHBondContact O-N 3.24Å; K16-S20 PolarHBondContact O-OG 3.34Å
17L53.6Low52Low24 Ų2470.7 Ų70.713%0.12639%0.387CS..Hα-helixtrans-61.5-40.6175.4-75.2172.7000111.4V13 G14 V19 S20 K42 M43 L46V13-L17 HydrophobicContact CG1-CD1 4.16Å; V13-L17 WeakPolarHBondContact O-CG 3.34Å; V13-L17 PolarHBondContact O-N 3.35Å; G14-L17 PolarHBondContact O-N 2.94Å; L17-V19 VanDerWaalsContact C-N 3.31Å; L17-V19 PolarHBondContact O-N 2.95Å; L17-S20 WeakPolarHBondContact CA-OG 3.44Å; L17-S20 WeakPolarHBondContact O-CB 3.4Å; L17-S20 PolarHBondContact O-N 3.05Å; L17-S20 PolarHBondContact O-OG 3.47Å; L17-K42 HydrophobicContact CD1-CD 4.46Å; L17-K42 HydrophobicContact CD1-CG 4.27Å; L17-K42 HydrophobicContact CD2-CD 3.96Å; L17-M43 HydrophobicContact CD1-CG 4.44Å; L17-L46 HydrophobicContact CD1-CD1 4.16Å
18L53.5Low52.6Low2 Ų268.7 Ų68.71%0.0138%0.378CS..Hα-helixtrans-69.6-27.4179-71158.4000113G14 N15 K16 S20 F23 I39 K58 A59 C62G14-L18 WeakPolarHBondContact O-CB 3.3Å; G14-L18 VanDerWaalsContact O-CD1 3.26Å; G14-L18 WeakPolarHBondContact O-CD1 3.26Å; G14-L18 WeakPolarHBondContact O-CG 3.29Å; G14-L18 PolarHBondContact O-N 3.07Å; N15-L18 PolarHBondContact O-N 2.97Å; K16-L18 VanDerWaalsContact C-N 3.3Å; K16-L18 PolarHBondContact O-N 3.04Å; L18-S20 VanDerWaalsContact C-N 3.28Å; L18-F23 HydrophobicContact CD2-CE2 4.14Å; L18-F23 HydrophobicContact CD2-CZ 4.45Å; L18-F23 WeakPolarHBondContact O-CD2 3.48Å; L18-F23 WeakPolarHBondContact O-CE2 3.35Å; L18-I39 HydrophobicContact CD2-CG2 4.01Å; L18-I39 HydrophobicContact CG-CG2 4.48Å; L18-K58 HydrophobicContact CD1-CB 3.31Å; L18-K58 HydrophobicContact CD1-CG 3.88Å; L18-K58 HydrophobicContact CD2-CB 4.18Å; L18-K58 HydrophobicContact CG-CB 4.2Å; L18-A59 HydrophobicContact CD2-CB 3.99Å; L18-C62 VanDerWaalsContact O-CB 3.23Å; L18-C62 WeakPolarHBondContact O-CB 3.46Å; L18-C62 PolarHBondContact O-SG 2.87Å
19V51.2Low53Low99 Ų9964.5 Ų64.560%0.637%0.365SS*.THydrogen-bonded Turntrans-88.54.6175.6-1790000111.7N15 K16 L17 S21N15-V19 VanDerWaalsContact O-CG2 3.29Å; N15-V19 WeakPolarHBondContact O-CG2 3.42Å; N15-V19 PolarHBondContact O-N 3.44Å; K16-V19 PolarHBondContact O-N 3.47Å; L17-V19 VanDerWaalsContact C-N 3.31Å; L17-V19 PolarHBondContact O-N 2.95Å; V19-S21 PolarHBondContact O-N 2.87Å
20S51.9Low53.5Low34 Ų3460.6 Ų60.624%0.23835%0.353CS..  trans-56.6141.9179.9-58.10000111.4K16 L17 L18 E22 F23K16-S20 PolarHBondContact O-N 3.24Å; K16-S20 PolarHBondContact O-OG 3.34Å; L17-S20 WeakPolarHBondContact CA-OG 3.44Å; L17-S20 WeakPolarHBondContact O-CB 3.4Å; L17-S20 PolarHBondContact O-N 3.05Å; L17-S20 PolarHBondContact O-OG 3.47Å; L18-S20 VanDerWaalsContact C-N 3.28Å; S20-E22 PolarHBondContact O-N 3.42Å; S20-F23 PolarHBondContact O-N 3.34Å
21S48.8Very low54.4Low93 Ų9359.9 Ų59.965%0.6535%0.352SS*.G310 helixtrans-54.2-22.2179.653.90000113.9V19 F23 H24 A25V19-S21 PolarHBondContact O-N 2.87Å; S21-F23 PolarHBondContact O-N 2.99Å; S21-H24 WeakPolarHBondContact O-CB 3.25Å; S21-H24 PolarHBondContact O-N 3.3Å; S21-A25 PolarHBondContact O-N 3.26Å
22E51.6Low55.2Low114 Ų11458.1 Ų58.153%0.53334%0.337SS..G310 helixtrans-56.8-34.4175-60.7-179.2161.800112.3S20 H24 A25 V35S20-E22 PolarHBondContact O-N 3.42Å; E22-H24 VanDerWaalsContact C-N 3.29Å; E22-H24 PolarHBondContact O-N 2.86Å; E22-A25 PolarHBondContact O-N 3.31Å; E22-V35 HydrophobicContact CB-CG1 4.36Å
23F48.7Very low55.5Low2 Ų256 Ų561%0.00932%0.323CS..G310 helixtrans-66-31.4174-89.7-65.9000112.9L18 S20 S21 A25 C26 F32 V35 I39 A59 C62 L64L18-F23 HydrophobicContact CD2-CE2 4.14Å; L18-F23 HydrophobicContact CD2-CZ 4.45Å; L18-F23 WeakPolarHBondContact O-CD2 3.48Å; L18-F23 WeakPolarHBondContact O-CE2 3.35Å; S20-F23 PolarHBondContact O-N 3.34Å; S21-F23 PolarHBondContact O-N 2.99Å; F23-A25 PolarHBondContact O-N 3.21Å; F23-C26 WeakPolarHBondContact O-CB 3.29Å; F23-C26 PolarHBondContact O-N 2.86Å; F23-F32 AromaticContact CD1-CD2 3.82Å; F23-F32 HydrophobicContact CD1-CD2 3.82Å; F23-F32 AromaticContact CD1-CE2 3.87Å; F23-F32 HydrophobicContact CD1-CE2 3.87Å; F23-F32 AromaticContact CE1-CD2 3.5Å; F23-F32 HydrophobicContact CE1-CD2 3.5Å; F23-F32 AromaticContact CE1-CE2 3.31Å; F23-F32 HydrophobicContact CE1-CE2 3.31Å; F23-F32 HydrophobicContact CE1-CZ 4.47Å; F23-F32 HydrophobicContact CZ-CE2 4.3Å; F23-V35 HydrophobicContact CD1-CG1 4.02Å; F23-V35 HydrophobicContact CD2-CG1 4.25Å; F23-V35 HydrophobicContact CE1-CG1 3.88Å; F23-V35 HydrophobicContact CE2-CG1 4.23Å; F23-V35 HydrophobicContact CG-CG1 4.2Å; F23-V35 HydrophobicContact CZ-CG1 4.03Å; F23-I39 HydrophobicContact CD2-CD1 3.86Å; F23-I39 HydrophobicContact CE2-CD1 3.05Å; F23-I39 HydrophobicContact CZ-CD1 3.5Å; F23-I39 VanDerWaalsContact CZ-CD1 3.5Å; F23-A59 HydrophobicContact CE1-CB 4.26Å; F23-A59 HydrophobicContact CZ-CB 3.73Å; F23-C62 HydrophobicContact CB-CB 4.41Å; F23-C62 HydrophobicContact CD2-CB 4.06Å; F23-C62 HydrophobicContact CE2-CB 4.39Å; F23-C62 HydrophobicContact CG-CB 4.12Å; F23-L64 WeakPolarHBondContact O-CD1 3.25Å
24H50.4Low56.1Low131 Ų13157.5 Ų57.561%0.60633%0.332SS*.G310 helixtrans-68.6-22.6176.3-70.5-59.3000112.7S21 E22 C26S21-H24 WeakPolarHBondContact O-CB 3.25Å; S21-H24 PolarHBondContact O-N 3.3Å; E22-H24 VanDerWaalsContact C-N 3.29Å; E22-H24 PolarHBondContact O-N 2.86Å; H24-C26 VanDerWaalsContact C-N 3.34Å
25A51Low56.8Low72 Ų7258.6 Ų58.660%0.59534%0.339SS*.G310 helixtrans-82.2-11.6176.200000113.2S21 E22 F23 T27S21-A25 PolarHBondContact O-N 3.26Å; E22-A25 PolarHBondContact O-N 3.31Å; F23-A25 PolarHBondContact O-N 3.21Å; A25-T27 PolarHBondContact O-N 2.87Å
26C51.1Low57.4Low1 Ų155.8 Ų55.81%0.00732%0.323CS..  trans-65.5100.5-179.5-63.40000110.5F23 H24 S31 F32 L64 F67F23-C26 WeakPolarHBondContact O-CB 3.29Å; F23-C26 PolarHBondContact O-N 2.86Å; H24-C26 VanDerWaalsContact C-N 3.34Å; C26-S31 WeakPolarHBondContact CA-OG 3.43Å; C26-F32 HydrophobicContact CB-CB 4.2Å; C26-L64 HydrophobicContact CB-CD1 4.48Å; C26-F67 WeakPolarHBondContact O-CE2 2.99Å
27T55.1Low58.1Low95 Ų9551.6 Ų51.658%0.58331%0.309SS*.  trans-90.2-23.5179.556.10000113.1A25 S31 K66A25-T27 PolarHBondContact O-N 2.87Å; T27-S31 PolarHBondContact N-OG 3.2Å; T27-K66 VanDerWaalsContact C-NZ 3.33Å; T27-K66 WeakPolarHBondContact O-CE 3.47Å; T27-K66 PolarHBondContact O-NZ 2.94Å
28N58.4Low58.8Low69 Ų6953 Ų5337%0.36932%0.323SS..SBendtrans-133.7168.8-176.964.320.8000110.8A30 S31 F32N28-A30 VanDerWaalsContact C-N 3.29Å; N28-A30 PolarHBondContact O-N 3.31Å; N28-A30 PolarHBondContact OD1-N 3.32Å; N28-S31 PolarHBondContact N-OG 2.9Å; N28-S31 PolarHBondContact O-OG 3.07Å; N28-S31 WeakPolarHBondContact OD1-CA 3.45Å; N28-S31 WeakPolarHBondContact OD1-CB 3.07Å; N28-S31 PolarHBondContact OD1-N 2.94Å; N28-S31 PolarHBondContact OD1-OG 3.11Å; N28-F32 PolarHBondContact O-N 3.12Å
29V58.1Low59.4Low60 Ų6053.2 Ų53.236%0.36432%0.324SS..Hα-helixtrans-64.9-35.5-180179.80000111.1F32 I33 F67V29-F32 WeakPolarHBondContact O-CB 3.43Å; V29-F32 PolarHBondContact O-N 3.02Å; V29-I33 HydrophobicContact CG1-CD1 3.87Å; V29-I33 HydrophobicContact CG1-CG1 4.35Å; V29-I33 VanDerWaalsContact O-CG1 3.28Å; V29-I33 WeakPolarHBondContact O-CG1 3.42Å; V29-I33 PolarHBondContact O-N 3.17Å; V29-F67 HydrophobicContact CG2-CE1 4.08Å
30A63.6Low60.2Low41 Ų4149 Ų4934%0.33930%0.299SS..Hα-helixtrans-62.6-49.4179.300000112.8N28 F32 I33 T34N28-A30 VanDerWaalsContact C-N 3.29Å; N28-A30 PolarHBondContact O-N 3.31Å; N28-A30 PolarHBondContact OD1-N 3.32Å; A30-F32 VanDerWaalsContact C-N 3.3Å; A30-F32 PolarHBondContact O-N 2.98Å; A30-I33 PolarHBondContact O-N 3.26Å; A30-I33 VanDerWaalsContact O-N 3.14Å; A30-T34 PolarHBondContact O-N 3.44Å; A30-T34 PolarHBondContact O-OG1 3.38Å
31S64.8Low61Low34 Ų3450.9 Ų50.924%0.23831%0.306CS..Hα-helixtrans-61.6-37.7175.157.60000111.9C26 T27 N28 T34 V35C26-S31 WeakPolarHBondContact CA-OG 3.43Å; T27-S31 PolarHBondContact N-OG 3.2Å; N28-S31 PolarHBondContact N-OG 2.9Å; N28-S31 PolarHBondContact O-OG 3.07Å; N28-S31 WeakPolarHBondContact OD1-CA 3.45Å; N28-S31 WeakPolarHBondContact OD1-CB 3.07Å; N28-S31 PolarHBondContact OD1-N 2.94Å; N28-S31 PolarHBondContact OD1-OG 3.11Å; S31-T34 PolarHBondContact O-N 3Å; S31-V35 WeakPolarHBondContact O-CB 3.38Å; S31-V35 VanDerWaalsContact O-CG2 3.3Å; S31-V35 WeakPolarHBondContact O-CG2 3.49Å; S31-V35 PolarHBondContact O-N 3.39Å
32F66.5Low61.8Low4 Ų452.2 Ų52.22%0.01830%0.3CS..Hα-helixtrans-61.1-45.3172.5173.5-113.1000112.1F23 C26 N28 V29 A30 V35 L36 A59 L63 F70F23-F32 AromaticContact CD1-CD2 3.82Å; F23-F32 HydrophobicContact CD1-CD2 3.82Å; F23-F32 AromaticContact CD1-CE2 3.87Å; F23-F32 HydrophobicContact CD1-CE2 3.87Å; F23-F32 AromaticContact CE1-CD2 3.5Å; F23-F32 HydrophobicContact CE1-CD2 3.5Å; F23-F32 AromaticContact CE1-CE2 3.31Å; F23-F32 HydrophobicContact CE1-CE2 3.31Å; F23-F32 HydrophobicContact CE1-CZ 4.47Å; F23-F32 HydrophobicContact CZ-CE2 4.3Å; C26-F32 HydrophobicContact CB-CB 4.2Å; N28-F32 PolarHBondContact O-N 3.12Å; V29-F32 WeakPolarHBondContact O-CB 3.43Å; V29-F32 PolarHBondContact O-N 3.02Å; A30-F32 VanDerWaalsContact C-N 3.3Å; A30-F32 PolarHBondContact O-N 2.98Å; F32-V35 PolarHBondContact O-N 3.47Å; F32-L36 HydrophobicContact CD1-CD1 3.71Å; F32-L36 HydrophobicContact CD2-CD1 4.45Å; F32-L36 HydrophobicContact CD2-CG 4.47Å; F32-L36 HydrophobicContact CE1-CD1 3.2Å; F32-L36 HydrophobicContact CE1-CG 4.13Å; F32-L36 HydrophobicContact CE2-CD1 4.03Å; F32-L36 HydrophobicContact CE2-CG 4.06Å; F32-L36 HydrophobicContact CG-CD1 4.33Å; F32-L36 HydrophobicContact CZ-CD1 3.39Å; F32-L36 HydrophobicContact CZ-CG 3.88Å; F32-L36 VanDerWaalsContact O-CB 3.25Å; F32-L36 WeakPolarHBondContact O-CB 3.25Å; F32-L36 PolarHBondContact O-N 3.27Å; F32-A59 HydrophobicContact CE2-CB 4.34Å; F32-A59 WeakPolarHBondContact CE2-O 3.25Å; F32-A59 HydrophobicContact CZ-CB 4.24Å; F32-L63 HydrophobicContact CB-CD2 4.14Å; F32-L63 HydrophobicContact CD1-CD2 3.98Å; F32-L63 HydrophobicContact CD2-CD2 3.1Å; F32-L63 HydrophobicContact CD2-CG 3.78Å; F32-L63 HydrophobicContact CE1-CD1 3.98Å; F32-L63 HydrophobicContact CE1-CD2 4.1Å; F32-L63 HydrophobicContact CE1-CG 4.23Å; F32-L63 HydrophobicContact CE2-CD1 3.94Å; F32-L63 HydrophobicContact CE2-CD2 3.24Å; F32-L63 HydrophobicContact CE2-CG 3.31Å; F32-L63 HydrophobicContact CG-CD2 3.48Å; F32-L63 VanDerWaalsContact CG-CD2 3.48Å; F32-L63 HydrophobicContact CG-CG 4.38Å; F32-L63 HydrophobicContact CZ-CD1 3.65Å; F32-L63 HydrophobicContact CZ-CD2 3.76Å; F32-L63 HydrophobicContact CZ-CG 3.58Å; F32-F70 AromaticContact CE1-CE1 3.89Å; F32-F70 HydrophobicContact CE1-CE1 3.89Å; F32-F70 HydrophobicContact CE1-CZ 4.06Å; F32-F70 HydrophobicContact CZ-CE1 4.47Å
33I66.1Low62.4Low26 Ų2646.9 Ų46.913%0.13328%0.275CS..Hα-helixtrans-65-41.2177.7-62.6163.6000110.8V29 A30 L36 N37 L89V29-I33 HydrophobicContact CG1-CD1 3.87Å; V29-I33 HydrophobicContact CG1-CG1 4.35Å; V29-I33 VanDerWaalsContact O-CG1 3.28Å; V29-I33 WeakPolarHBondContact O-CG1 3.42Å; V29-I33 PolarHBondContact O-N 3.17Å; A30-I33 PolarHBondContact O-N 3.26Å; A30-I33 VanDerWaalsContact O-N 3.14Å; I33-L36 VanDerWaalsContact O-CB 3.3Å; I33-L36 WeakPolarHBondContact O-CB 3.47Å; I33-L36 PolarHBondContact O-N 3.49Å; I33-N37 WeakPolarHBondContact O-CB 3.25Å; I33-N37 PolarHBondContact O-N 3.21Å; I33-L89 HydrophobicContact CB-CD1 3.93Å; I33-L89 HydrophobicContact CG2-CD1 3.46Å; I33-L89 VanDerWaalsContact CG2-CD1 3.46Å; I33-L89 HydrophobicContact CG2-CG 3.92Å
34T67.5Low63.2Low87 Ų8752.5 Ų52.553%0.53430%0.302SS..Hα-helixtrans-61.9-45.3176.9-59.70000111.9A30 S31 N37 A38A30-T34 PolarHBondContact O-N 3.44Å; A30-T34 PolarHBondContact O-OG1 3.38Å; S31-T34 PolarHBondContact O-N 3Å; T34-N37 PolarHBondContact O-N 3.29Å; T34-A38 PolarHBondContact O-N 3.41Å
35V67.4Low63.8Low25 Ų2551.4 Ų51.415%0.15231%0.309CS..Hα-helixtrans-64.8-42.8176.11710000110.9E22 F23 S31 F32 N37 A38 I39E22-V35 HydrophobicContact CB-CG1 4.36Å; F23-V35 HydrophobicContact CD1-CG1 4.02Å; F23-V35 HydrophobicContact CD2-CG1 4.25Å; F23-V35 HydrophobicContact CE1-CG1 3.88Å; F23-V35 HydrophobicContact CE2-CG1 4.23Å; F23-V35 HydrophobicContact CG-CG1 4.2Å; F23-V35 HydrophobicContact CZ-CG1 4.03Å; S31-V35 WeakPolarHBondContact O-CB 3.38Å; S31-V35 VanDerWaalsContact O-CG2 3.3Å; S31-V35 WeakPolarHBondContact O-CG2 3.49Å; S31-V35 PolarHBondContact O-N 3.39Å; F32-V35 PolarHBondContact O-N 3.47Å; V35-N37 VanDerWaalsContact C-N 3.34Å; V35-N37 PolarHBondContact O-N 3.45Å; V35-A38 PolarHBondContact O-N 2.69Å; V35-I39 HydrophobicContact CG1-CD1 3.82Å; V35-I39 WeakPolarHBondContact O-CG1 3.34Å; V35-I39 PolarHBondContact O-N 2.82Å
36L69.4Low64.4Low4 Ų452.1 Ų52.12%0.02130%0.302CS..Hα-helixtrans-53.6-50.5172.3-99.5174.4000111.8F32 I33 A38 I39 V40 A59 L87F32-L36 HydrophobicContact CD1-CD1 3.71Å; F32-L36 HydrophobicContact CD2-CD1 4.45Å; F32-L36 HydrophobicContact CD2-CG 4.47Å; F32-L36 HydrophobicContact CE1-CD1 3.2Å; F32-L36 HydrophobicContact CE1-CG 4.13Å; F32-L36 HydrophobicContact CE2-CD1 4.03Å; F32-L36 HydrophobicContact CE2-CG 4.06Å; F32-L36 HydrophobicContact CG-CD1 4.33Å; F32-L36 HydrophobicContact CZ-CD1 3.39Å; F32-L36 HydrophobicContact CZ-CG 3.88Å; F32-L36 VanDerWaalsContact O-CB 3.25Å; F32-L36 WeakPolarHBondContact O-CB 3.25Å; F32-L36 PolarHBondContact O-N 3.27Å; I33-L36 VanDerWaalsContact O-CB 3.3Å; I33-L36 WeakPolarHBondContact O-CB 3.47Å; I33-L36 PolarHBondContact O-N 3.49Å; L36-A38 VanDerWaalsContact C-N 3.34Å; L36-A38 PolarHBondContact O-N 3.38Å; L36-I39 PolarHBondContact O-N 2.88Å; L36-V40 WeakPolarHBondContact O-CB 3.02Å; L36-V40 WeakPolarHBondContact O-CG2 3.37Å; L36-V40 PolarHBondContact O-N 2.88Å; L36-A59 HydrophobicContact CD2-CB 3.1Å; L36-A59 HydrophobicContact CG-CB 3.95Å; L36-L87 HydrophobicContact CD1-CD1 4.41Å
37N70.7Confident65Low67 Ų6758.4 Ų58.436%0.35834%0.336SS..Hα-helixtrans-63.8-40.9-179.2-166.144.5000111.3I33 T34 V35 I39 V40 N41I33-N37 WeakPolarHBondContact O-CB 3.25Å; I33-N37 PolarHBondContact O-N 3.21Å; T34-N37 PolarHBondContact O-N 3.29Å; V35-N37 VanDerWaalsContact C-N 3.34Å; V35-N37 PolarHBondContact O-N 3.45Å; N37-I39 VanDerWaalsContact C-N 3.32Å; N37-I39 PolarHBondContact O-N 3.02Å; N37-V40 PolarHBondContact O-N 2.9Å; N37-N41 WeakPolarHBondContact O-CB 3.43Å; N37-N41 PolarHBondContact O-N 2.81Å; N37-N41 PolarHBondContact O-ND2 2.9Å
38A68.3Low65.3Low52 Ų5254.5 Ų54.543%0.4331%0.311SS..Hα-helixtrans-61-40.9174.900000112.1T34 V35 L36 K42T34-A38 PolarHBondContact O-N 3.41Å; V35-A38 PolarHBondContact O-N 2.69Å; L36-A38 VanDerWaalsContact C-N 3.34Å; L36-A38 PolarHBondContact O-N 3.38Å; A38-K42 VanDerWaalsContact O-CB 3.3Å; A38-K42 WeakPolarHBondContact O-CB 3.2Å; A38-K42 PolarHBondContact O-N 3.44Å
39I66.7Low65.4Low7 Ų757.1 Ų57.14%0.03633%0.33CS..Hα-helixtrans-70-41.9178.5-70.8170.8000111.4L18 F23 V35 L36 N37 K42 M43L18-I39 HydrophobicContact CD2-CG2 4.01Å; L18-I39 HydrophobicContact CG-CG2 4.48Å; F23-I39 HydrophobicContact CD2-CD1 3.86Å; F23-I39 HydrophobicContact CE2-CD1 3.05Å; F23-I39 HydrophobicContact CZ-CD1 3.5Å; F23-I39 VanDerWaalsContact CZ-CD1 3.5Å; V35-I39 HydrophobicContact CG1-CD1 3.82Å; V35-I39 WeakPolarHBondContact O-CG1 3.34Å; V35-I39 PolarHBondContact O-N 2.82Å; L36-I39 PolarHBondContact O-N 2.88Å; N37-I39 VanDerWaalsContact C-N 3.32Å; N37-I39 PolarHBondContact O-N 3.02Å; I39-K42 PolarHBondContact O-N 3.25Å; I39-M43 HydrophobicContact CG2-CE 3.55Å; I39-M43 HydrophobicContact CG2-SD 4.41Å; I39-M43 WeakPolarHBondContact O-CB 3.3Å; I39-M43 WeakPolarHBondContact O-CG 3.44Å; I39-M43 PolarHBondContact O-N 3.19Å
40V68Low65.5Low11 Ų1156.2 Ų56.27%0.06732%0.322CS..Hα-helixtrans-59.7-48.8174.3169.80000110.5L36 N37 K42 M43 Q44 I55 L84L36-V40 WeakPolarHBondContact O-CB 3.02Å; L36-V40 WeakPolarHBondContact O-CG2 3.37Å; L36-V40 PolarHBondContact O-N 2.88Å; N37-V40 PolarHBondContact O-N 2.9Å; V40-K42 VanDerWaalsContact C-N 3.32Å; V40-K42 PolarHBondContact O-N 3.39Å; V40-M43 PolarHBondContact O-N 3.01Å; V40-Q44 WeakPolarHBondContact O-CG 3.35Å; V40-Q44 PolarHBondContact O-N 3.05Å; V40-I55 HydrophobicContact CG2-CG2 3.85Å; V40-L84 HydrophobicContact CB-CD2 4.44Å; V40-L84 HydrophobicContact CG1-CD1 3.74Å; V40-L84 HydrophobicContact CG1-CD2 4.15Å; V40-L84 HydrophobicContact CG1-CG 4.44Å; V40-L84 HydrophobicContact CG2-CD1 4.29Å; V40-L84 HydrophobicContact CG2-CD2 3.41Å; V40-L84 VanDerWaalsContact CG2-CD2 3.41Å; V40-L84 HydrophobicContact CG2-CG 4.47Å
41N69Low65.6Low74 Ų7459.1 Ų59.140%0.39633%0.332SS..Hα-helixtrans-59.9-43.2176.6-70.9-22.4000111.2N37 M43 Q44 S45N37-N41 WeakPolarHBondContact O-CB 3.43Å; N37-N41 PolarHBondContact O-N 2.81Å; N37-N41 PolarHBondContact O-ND2 2.9Å; N41-M43 PolarHBondContact O-N 3.43Å; N41-Q44 PolarHBondContact O-N 3.39Å; N41-S45 PolarHBondContact O-N 2.82Å; N41-S45 PolarHBondContact O-OG 3.08Å
42K65.5Low65.6Low120 Ų12060.1 Ų60.152%0.52234%0.335SS..Hα-helixtrans-65.3-38.7177.5-167.5160.1-176171.70112.3L17 A38 I39 V40 S45 L46L17-K42 HydrophobicContact CD1-CD 4.46Å; L17-K42 HydrophobicContact CD1-CG 4.27Å; L17-K42 HydrophobicContact CD2-CD 3.96Å; A38-K42 VanDerWaalsContact O-CB 3.3Å; A38-K42 WeakPolarHBondContact O-CB 3.2Å; A38-K42 PolarHBondContact O-N 3.44Å; I39-K42 PolarHBondContact O-N 3.25Å; V40-K42 VanDerWaalsContact C-N 3.32Å; V40-K42 PolarHBondContact O-N 3.39Å; K42-S45 PolarHBondContact O-N 3.41Å; K42-L46 HydrophobicContact CG-CD1 4.36Å; K42-L46 WeakPolarHBondContact O-CB 3.24Å; K42-L46 VanDerWaalsContact O-CG 3.25Å; K42-L46 WeakPolarHBondContact O-CG 3.35Å; K42-L46 PolarHBondContact O-N 3.15Å
43M63.2Low65.4Low2 Ų260.9 Ų60.91%0.0134%0.342CS..Hα-helixtrans-66.3-42.1174-76.8-171.4-66.800111.7L17 I39 V40 N41 L46 N47 I48 I55L17-M43 HydrophobicContact CD1-CG 4.44Å; I39-M43 HydrophobicContact CG2-CE 3.55Å; I39-M43 HydrophobicContact CG2-SD 4.41Å; I39-M43 WeakPolarHBondContact O-CB 3.3Å; I39-M43 WeakPolarHBondContact O-CG 3.44Å; I39-M43 PolarHBondContact O-N 3.19Å; V40-M43 PolarHBondContact O-N 3.01Å; N41-M43 PolarHBondContact O-N 3.43Å; M43-L46 CarbonylContact O-C 3.53Å; M43-L46 PolarHBondContact O-N 3.24Å; M43-N47 PolarHBondContact O-N 2.87Å; M43-I48 HydrophobicContact CB-CB 4.06Å; M43-I48 HydrophobicContact CB-CG2 4.43Å; M43-I48 HydrophobicContact CG-CB 4.42Å; M43-I48 HydrophobicContact CG-CD1 4.36Å; M43-I48 HydrophobicContact CG-CG2 4.44Å; M43-I48 WeakPolarHBondContact O-CB 3.39Å; M43-I48 PolarHBondContact O-N 2.96Å; M43-I48 HydrophobicContact SD-CG2 4.48Å; M43-I55 HydrophobicContact CE-CB 4.16Å; M43-I55 HydrophobicContact CE-CD1 3.93Å; M43-I55 HydrophobicContact CE-CG1 3.72Å; M43-I55 HydrophobicContact CE-CG2 3.42Å; M43-I55 VanDerWaalsContact CE-CG2 3.42Å; M43-I55 HydrophobicContact SD-CG1 4.31Å
44Q66.4Low65.3Low121 Ų12162.8 Ų62.857%0.56536%0.355SS*.Hα-helixtrans-62.6-43.2174.2-74.1-178.8-5.400112.1V40 N41 L46 N47V40-Q44 WeakPolarHBondContact O-CG 3.35Å; V40-Q44 PolarHBondContact O-N 3.05Å; N41-Q44 PolarHBondContact O-N 3.39Å; Q44-L46 PolarHBondContact O-N 2.84Å; Q44-N47 PolarHBondContact O-N 3.16Å
45S63.3Low65.3Low107 Ų10759 Ų5975%0.74833%0.331SS*.Hα-helixtrans-62.3-31.8175-59.60000112.8N41 K42 N47N41-S45 PolarHBondContact O-N 2.82Å; N41-S45 PolarHBondContact O-OG 3.08Å; K42-S45 PolarHBondContact O-N 3.41Å; S45-N47 PolarHBondContact O-N 3.1Å
46L64.2Low65.3Low88 Ų8857.8 Ų57.846%0.46132%0.324SS..THydrogen-bonded Turntrans-836.5175-69173.1000113.2V13 L17 K42 M43 Q44 I48V13-L46 HydrophobicContact CG1-CD1 4.1Å; L17-L46 HydrophobicContact CD1-CD1 4.16Å; K42-L46 HydrophobicContact CG-CD1 4.36Å; K42-L46 WeakPolarHBondContact O-CB 3.24Å; K42-L46 VanDerWaalsContact O-CG 3.25Å; K42-L46 WeakPolarHBondContact O-CG 3.35Å; K42-L46 PolarHBondContact O-N 3.15Å; M43-L46 CarbonylContact O-C 3.53Å; M43-L46 PolarHBondContact O-N 3.24Å; Q44-L46 PolarHBondContact O-N 2.84Å; L46-I48 HydrophobicContact CB-CD1 3.82Å; L46-I48 HydrophobicContact CB-CG1 3.64Å; L46-I48 HydrophobicContact CD1-CD1 4.03Å; L46-I48 PolarHBondContact O-N 3.48Å
47N62.3Low65.1Low133 Ų13358.4 Ų58.471%0.71133%0.331SS*.THydrogen-bonded Turntrans54.733.2-175-149-78.6000112.8M43 Q44 S45 V49M43-N47 PolarHBondContact O-N 2.87Å; Q44-N47 PolarHBondContact O-N 3.16Å; S45-N47 PolarHBondContact O-N 3.1Å; N47-V49 PolarHBondContact O-N 3.4Å
48I61Low64.9Low12 Ų1258.6 Ų58.66%0.06233%0.329CS..  trans-83.498.2179.3-58.1-171.3000108.6L10 V13 M43 L46 L50L10-I48 HydrophobicContact CD1-CB 4.35Å; L10-I48 HydrophobicContact CD1-CD1 4.22Å; L10-I48 HydrophobicContact CD1-CG1 3.62Å; L10-I48 HydrophobicContact CD2-CB 4.13Å; L10-I48 HydrophobicContact CD2-CG1 4.32Å; L10-I48 HydrophobicContact CD2-CG2 3.77Å; L10-I48 HydrophobicContact CG-CB 3.91Å; L10-I48 HydrophobicContact CG-CD1 4.09Å; L10-I48 HydrophobicContact CG-CG1 3.61Å; L10-I48 HydrophobicContact CG-CG2 3.63Å; V13-I48 HydrophobicContact CB-CD1 4.47Å; V13-I48 HydrophobicContact CG1-CD1 4.14Å; M43-I48 HydrophobicContact CB-CB 4.06Å; M43-I48 HydrophobicContact CB-CG2 4.43Å; M43-I48 HydrophobicContact CG-CB 4.42Å; M43-I48 HydrophobicContact CG-CD1 4.36Å; M43-I48 HydrophobicContact CG-CG2 4.44Å; M43-I48 WeakPolarHBondContact O-CB 3.39Å; M43-I48 PolarHBondContact O-N 2.96Å; M43-I48 HydrophobicContact SD-CG2 4.48Å; L46-I48 HydrophobicContact CB-CD1 3.82Å; L46-I48 HydrophobicContact CB-CG1 3.64Å; L46-I48 HydrophobicContact CD1-CD1 4.03Å; L46-I48 PolarHBondContact O-N 3.48Å; I48-L50 HydrophobicContact CG2-CD1 3.33Å; I48-L50 HydrophobicContact CG2-CG 4.47Å; I48-L50 PolarHBondContact O-N 3.28Å; I48-L50 VanDerWaalsContact O-N 3.13Å
49V60.4Low64.8Low125 Ų12556.1 Ų56.176%0.75831%0.308SS*.  trans-80.989.9172.4-1730000108.4N47N47-V49 PolarHBondContact O-N 3.4Å
50L60.7Low64.7Low41 Ų4155.9 Ų55.922%0.21531%0.307CS..  trans-103.3148163.9-103.575.7000109.3I48 D52 T54 I55I48-L50 HydrophobicContact CG2-CD1 3.33Å; I48-L50 HydrophobicContact CG2-CG 4.47Å; I48-L50 PolarHBondContact O-N 3.28Å; I48-L50 VanDerWaalsContact O-N 3.13Å; L50-D52 PolarHBondContact O-N 3Å; L50-T54 HydrophobicContact CD2-CG2 3.84Å; L50-I55 HydrophobicContact CB-CD1 3.76Å; L50-I55 HydrophobicContact CB-CG1 3.62Å; L50-I55 HydrophobicContact CD2-CG1 4.18Å
51D66.7Low64.6Low102 Ų10260.9 Ų60.955%0.54533%0.33SS..  trans-60.9131.7168.9179.182.9000110.1A53 T54 I55D51-A53 PolarHBondContact O-N 3.33Å; D51-A53 VanDerWaalsContact O-N 3.12Å; D51-A53 WeakPolarHBondContact OD2-CB 3.36Å; D51-A53 PolarHBondContact OD2-N 2.95Å; D51-T54 WeakPolarHBondContact O-CA 3.32Å; D51-T54 VanDerWaalsContact O-CB 3.29Å; D51-T54 WeakPolarHBondContact O-CB 3.19Å; D51-T54 PolarHBondContact O-N 3.43Å; D51-I55 PolarHBondContact O-N 3.22Å; D51-I55 VanDerWaalsContact O-N 3.11Å
52D63.9Low64.2Low54 Ų5458.8 Ų58.829%0.28932%0.321SS..Hα-helixtrans-48.2-42.9-178.5-70.32.2000111.6L50 T54 I55 V56 A82 K83 L84L50-D52 PolarHBondContact O-N 3Å; D52-T54 VanDerWaalsContact C-N 3.26Å; D52-T54 PolarHBondContact O-N 3.43Å; D52-I55 PolarHBondContact O-N 3.47Å; D52-V56 WeakPolarHBondContact O-CG2 3.44Å; D52-V56 PolarHBondContact O-N 2.97Å; D52-A82 WeakPolarHBondContact CB-O 3.42Å; D52-K83 VanDerWaalsContact OD2-CA 3.3Å; D52-K83 WeakPolarHBondContact OD2-CA 3.22Å; D52-L84 HydrophobicContact CB-CD1 4.48Å; D52-L84 HydrophobicContact CB-CG 3.91Å; D52-L84 VanDerWaalsContact OD1-CD1 3.25Å; D52-L84 WeakPolarHBondContact OD1-CD1 3.32Å; D52-L84 WeakPolarHBondContact OD1-CG 3.23Å; D52-L84 PolarHBondContact OD2-N 3.29Å
53A61.9Low64.1Low21 Ų2153.2 Ų53.217%0.17430%0.297CS..Hα-helixtrans-66-31.6-17800000112D51 G57 P79D51-A53 PolarHBondContact O-N 3.33Å; D51-A53 VanDerWaalsContact O-N 3.12Å; D51-A53 WeakPolarHBondContact OD2-CB 3.36Å; D51-A53 PolarHBondContact OD2-N 2.95Å; A53-G57 WeakPolarHBondContact O-CA 3.02Å; A53-G57 PolarHBondContact O-N 3.27Å; A53-P79 HydrophobicContact CB-CB 3.67Å; A53-P79 WeakPolarHBondContact CB-O 3.48Å
54T65.6Low63.9Low66 Ų6654.7 Ų54.741%0.40531%0.305SS..Hα-helixtrans-71.2-44.4174.7-57.20000111.1L50 D51 D52 G57 K58L50-T54 HydrophobicContact CD2-CG2 3.84Å; D51-T54 WeakPolarHBondContact O-CA 3.32Å; D51-T54 VanDerWaalsContact O-CB 3.29Å; D51-T54 WeakPolarHBondContact O-CB 3.19Å; D51-T54 PolarHBondContact O-N 3.43Å; D52-T54 VanDerWaalsContact C-N 3.26Å; D52-T54 PolarHBondContact O-N 3.43Å; T54-G57 PolarHBondContact O-N 3.23Å; T54-K58 HydrophobicContact CG2-CG 4.45Å; T54-K58 WeakPolarHBondContact O-CB 3.49Å; T54-K58 VanDerWaalsContact O-CG 3.25Å; T54-K58 WeakPolarHBondContact O-CG 3.35Å; T54-K58 PolarHBondContact O-N 2.84Å
55I67.6Low63.7Low6 Ų653.6 Ų53.63%0.03131%0.308CS..Hα-helixtrans-59.2-52.4178.4-68.3166.4000109.9V40 M43 L50 D51 D52 K58 A59 L84V40-I55 HydrophobicContact CG2-CG2 3.85Å; M43-I55 HydrophobicContact CE-CB 4.16Å; M43-I55 HydrophobicContact CE-CD1 3.93Å; M43-I55 HydrophobicContact CE-CG1 3.72Å; M43-I55 HydrophobicContact CE-CG2 3.42Å; M43-I55 VanDerWaalsContact CE-CG2 3.42Å; M43-I55 HydrophobicContact SD-CG1 4.31Å; L50-I55 HydrophobicContact CB-CD1 3.76Å; L50-I55 HydrophobicContact CB-CG1 3.62Å; L50-I55 HydrophobicContact CD2-CG1 4.18Å; D51-I55 PolarHBondContact O-N 3.22Å; D51-I55 VanDerWaalsContact O-N 3.11Å; D52-I55 PolarHBondContact O-N 3.47Å; I55-K58 PolarHBondContact O-N 3.08Å; I55-A59 WeakPolarHBondContact O-CB 3.3Å; I55-A59 PolarHBondContact O-N 2.96Å; I55-L84 HydrophobicContact CB-CD2 4.48Å; I55-L84 HydrophobicContact CD1-CD1 3.82Å; I55-L84 HydrophobicContact CG2-CD2 4.03Å
56V66.2Low63.7Low1 Ų153.9 Ų53.91%0.00630%0.296CS..Hα-helixtrans-70.7-39.5-177.4-169.10000110.7D52 K58 A59 V60 W74 L84 L87D52-V56 WeakPolarHBondContact O-CG2 3.44Å; D52-V56 PolarHBondContact O-N 2.97Å; V56-K58 VanDerWaalsContact C-N 3.28Å; V56-K58 PolarHBondContact O-N 3.31Å; V56-A59 PolarHBondContact O-N 3.49Å; V56-V60 HydrophobicContact CG1-CG2 3.94Å; V56-V60 WeakPolarHBondContact O-CB 3.38Å; V56-V60 WeakPolarHBondContact O-CG2 3.2Å; V56-V60 PolarHBondContact O-N 3.28Å; V56-W74 HydrophobicContact CB-CH2 3.35Å; V56-W74 HydrophobicContact CB-CZ2 3.51Å; V56-W74 HydrophobicContact CB-CZ3 4.36Å; V56-W74 HydrophobicContact CG1-CE3 4.29Å; V56-W74 HydrophobicContact CG1-CH2 2.98Å; V56-W74 HydrophobicContact CG1-CZ2 3.42Å; V56-W74 VanDerWaalsContact CG1-CZ2 3.42Å; V56-W74 HydrophobicContact CG1-CZ3 3.53Å; V56-W74 HydrophobicContact CG2-CH2 4.18Å; V56-L84 HydrophobicContact CG2-CD2 3.95Å; V56-L87 HydrophobicContact CB-CD1 4.19Å; V56-L87 HydrophobicContact CG1-CD1 3.77Å; V56-L87 HydrophobicContact CG2-CD1 3.27Å
57G66.3Low63.6Low16 Ų1650.9 Ų50.917%0.16528%0.279CS..Hα-helixtrans-56.9-41.5175.600000112.9A53 T54 Q61A53-G57 WeakPolarHBondContact O-CA 3.02Å; A53-G57 PolarHBondContact O-N 3.27Å; T54-G57 PolarHBondContact O-N 3.23Å; G57-Q61 WeakPolarHBondContact O-CG 3.03Å; G57-Q61 PolarHBondContact O-N 3.32Å; G57-Q61 VanDerWaalsContact O-N 3.08Å
58K66.3Low63.8Low71 Ų7150.3 Ų50.331%0.30927%0.267SS..Hα-helixtrans-70-44.4175.9-74-74.3-175.5169.60112.6N15 L18 T54 I55 V56 V60 Q61 C62N15-K58 WeakPolarHBondContact OD1-CE 3.32Å; N15-K58 PolarHBondContact OD1-NZ 2.85Å; N15-K58 VanDerWaalsContact OD1-NZ 3.07Å; L18-K58 HydrophobicContact CD1-CB 3.31Å; L18-K58 HydrophobicContact CD1-CG 3.88Å; L18-K58 HydrophobicContact CD2-CB 4.18Å; L18-K58 HydrophobicContact CG-CB 4.2Å; T54-K58 HydrophobicContact CG2-CG 4.45Å; T54-K58 WeakPolarHBondContact O-CB 3.49Å; T54-K58 VanDerWaalsContact O-CG 3.25Å; T54-K58 WeakPolarHBondContact O-CG 3.35Å; T54-K58 PolarHBondContact O-N 2.84Å; I55-K58 PolarHBondContact O-N 3.08Å; V56-K58 VanDerWaalsContact C-N 3.28Å; V56-K58 PolarHBondContact O-N 3.31Å; K58-V60 VanDerWaalsContact C-N 3.28Å; K58-V60 PolarHBondContact O-N 3.15Å; K58-Q61 WeakPolarHBondContact O-CB 3.22Å; K58-Q61 PolarHBondContact O-N 2.98Å; K58-C62 PolarHBondContact O-N 3.42Å; K58-C62 PolarHBondContact O-SG 3.26Å
59A65.7Low63.8Low0 Ų057.4 Ų57.40%030%0.295CS..Hα-helixtrans-61.5-39.7176.400000112.1L18 F23 F32 L36 I55 V56 Q61 C62 L63L18-A59 HydrophobicContact CD2-CB 3.99Å; F23-A59 HydrophobicContact CE1-CB 4.26Å; F23-A59 HydrophobicContact CZ-CB 3.73Å; F32-A59 HydrophobicContact CE2-CB 4.34Å; F32-A59 WeakPolarHBondContact CE2-O 3.25Å; F32-A59 HydrophobicContact CZ-CB 4.24Å; L36-A59 HydrophobicContact CD2-CB 3.1Å; L36-A59 HydrophobicContact CG-CB 3.95Å; I55-A59 WeakPolarHBondContact O-CB 3.3Å; I55-A59 PolarHBondContact O-N 2.96Å; V56-A59 PolarHBondContact O-N 3.49Å; A59-Q61 VanDerWaalsContact C-N 3.29Å; A59-Q61 PolarHBondContact O-N 3.31Å; A59-C62 PolarHBondContact O-N 3.29Å; A59-L63 PolarHBondContact O-N 2.84Å; A59-L63 VanDerWaalsContact O-N 3.15Å
60V65.4Low64Low3 Ų353.3 Ų53.32%0.01827%0.267CS..Hα-helixtrans-62.8-36.8173.6175.10000110.8V56 K58 C62 L63 F70 R71 W74V56-V60 HydrophobicContact CG1-CG2 3.94Å; V56-V60 WeakPolarHBondContact O-CB 3.38Å; V56-V60 WeakPolarHBondContact O-CG2 3.2Å; V56-V60 PolarHBondContact O-N 3.28Å; K58-V60 VanDerWaalsContact C-N 3.28Å; K58-V60 PolarHBondContact O-N 3.15Å; V60-C62 VanDerWaalsContact C-N 3.35Å; V60-L63 HydrophobicContact CB-CD1 4.43Å; V60-L63 HydrophobicContact CG1-CD1 4.23Å; V60-L63 WeakPolarHBondContact O-CB 3.44Å; V60-L63 PolarHBondContact O-N 2.83Å; V60-F70 HydrophobicContact CG1-CD1 4.35Å; V60-F70 HydrophobicContact CG1-CE1 4.37Å; V60-F70 HydrophobicContact CG2-CE1 3.91Å; V60-R71 HydrophobicContact CG1-CB 4.1Å; V60-R71 HydrophobicContact CG1-CG 3.79Å; V60-R71 WeakPolarHBondContact O-CD 3.45Å; V60-R71 VanDerWaalsContact O-CG 3.25Å; V60-R71 WeakPolarHBondContact O-CG 3.4Å; V60-W74 HydrophobicContact CB-CG 4.16Å; V60-W74 HydrophobicContact CG1-CB 3.83Å; V60-W74 HydrophobicContact CG1-CG 3.76Å; V60-W74 HydrophobicContact CG2-CB 4.33Å; V60-W74 HydrophobicContact CG2-CD2 3.71Å; V60-W74 HydrophobicContact CG2-CE3 4.21Å; V60-W74 HydrophobicContact CG2-CG 3.71Å
61Q66.2Low64.2Low115 Ų11554.1 Ų54.154%0.53727%0.267SS..Hα-helixtrans-66.1-37.8174.7-75.9175.5-12.900112.2G57 K58 A59 L63 R71G57-Q61 WeakPolarHBondContact O-CG 3.03Å; G57-Q61 PolarHBondContact O-N 3.32Å; G57-Q61 VanDerWaalsContact O-N 3.08Å; K58-Q61 WeakPolarHBondContact O-CB 3.22Å; K58-Q61 PolarHBondContact O-N 2.98Å; A59-Q61 VanDerWaalsContact C-N 3.29Å; A59-Q61 PolarHBondContact O-N 3.31Å; Q61-L63 VanDerWaalsContact C-N 3.25Å; Q61-L63 PolarHBondContact O-N 3.48Å; Q61-R71 PolarHBondContact O-NH1 2.85Å
62C60.4Low64Low30 Ų3052.3 Ų52.320%0.20326%0.255CS..Hα-helixtrans-75.5-9.3178.9-61.60000114.2L18 F23 K58 A59 V60L18-C62 VanDerWaalsContact O-CB 3.23Å; L18-C62 WeakPolarHBondContact O-CB 3.46Å; L18-C62 PolarHBondContact O-SG 2.87Å; F23-C62 HydrophobicContact CB-CB 4.41Å; F23-C62 HydrophobicContact CD2-CB 4.06Å; F23-C62 HydrophobicContact CE2-CB 4.39Å; F23-C62 HydrophobicContact CG-CB 4.12Å; K58-C62 PolarHBondContact O-N 3.42Å; K58-C62 PolarHBondContact O-SG 3.26Å; A59-C62 PolarHBondContact O-N 3.29Å; V60-C62 VanDerWaalsContact C-N 3.35Å
63L63Low63.8Low4 Ų451.8 Ų51.82%0.02126%0.256CS..SBendtrans-55.6146.2171.4-81.6167.9000112.2F32 A59 V60 Q61 F67 F70 R71F32-L63 HydrophobicContact CB-CD2 4.14Å; F32-L63 HydrophobicContact CD1-CD2 3.98Å; F32-L63 HydrophobicContact CD2-CD2 3.1Å; F32-L63 HydrophobicContact CD2-CG 3.78Å; F32-L63 HydrophobicContact CE1-CD1 3.98Å; F32-L63 HydrophobicContact CE1-CD2 4.1Å; F32-L63 HydrophobicContact CE1-CG 4.23Å; F32-L63 HydrophobicContact CE2-CD1 3.94Å; F32-L63 HydrophobicContact CE2-CD2 3.24Å; F32-L63 HydrophobicContact CE2-CG 3.31Å; F32-L63 HydrophobicContact CG-CD2 3.48Å; F32-L63 VanDerWaalsContact CG-CD2 3.48Å; F32-L63 HydrophobicContact CG-CG 4.38Å; F32-L63 HydrophobicContact CZ-CD1 3.65Å; F32-L63 HydrophobicContact CZ-CD2 3.76Å; F32-L63 HydrophobicContact CZ-CG 3.58Å; A59-L63 PolarHBondContact O-N 2.84Å; A59-L63 VanDerWaalsContact O-N 3.15Å; V60-L63 HydrophobicContact CB-CD1 4.43Å; V60-L63 HydrophobicContact CG1-CD1 4.23Å; V60-L63 WeakPolarHBondContact O-CB 3.44Å; V60-L63 PolarHBondContact O-N 2.83Å; Q61-L63 VanDerWaalsContact C-N 3.25Å; Q61-L63 PolarHBondContact O-N 3.48Å; L63-F67 HydrophobicContact CB-CB 4.1Å; L63-F67 HydrophobicContact CB-CD2 4.38Å; L63-F67 HydrophobicContact CD1-CB 4.07Å; L63-F67 HydrophobicContact CD2-CB 4.18Å; L63-F67 HydrophobicContact CD2-CD2 3.66Å; L63-F67 HydrophobicContact CD2-CE2 4.11Å; L63-F67 HydrophobicContact CD2-CG 3.9Å; L63-F67 HydrophobicContact CG-CB 4.39Å; L63-F70 HydrophobicContact CD1-CD1 3.32Å; L63-F70 HydrophobicContact CD1-CE1 3.57Å; L63-F70 HydrophobicContact CD1-CG 4.38Å; L63-R71 HydrophobicContact CB-CG 4.21Å; L63-R71 HydrophobicContact CD1-CG 4.11Å; L63-R71 PolarHBondContact O-NH1 3.49Å
64L59.1Low63.9Low33 Ų3351.4 Ų51.417%0.17325%0.25CS..  trans-57152.9174.5-77.477.1000112F23 C26 K66 F67F23-L64 WeakPolarHBondContact O-CD1 3.25Å; C26-L64 HydrophobicContact CB-CD1 4.48Å; L64-K66 HydrophobicContact CB-CD 4.38Å; L64-K66 HydrophobicContact CB-CG 3.94Å; L64-K66 HydrophobicContact CD2-CD 4.24Å; L64-K66 PolarHBondContact O-N 2.82Å; L64-F67 HydrophobicContact CB-CD2 4.12Å; L64-F67 HydrophobicContact CB-CE2 4.46Å; L64-F67 PolarHBondContact O-N 3.2Å
65P62.5Low63.7Low98 Ų9856.5 Ų56.564%0.63626%0.262SS*.G310 helixtrans-47.2-33.5173-30.336.4000115.2F67 Y68P65-F67 PolarHBondContact O-N 2.9Å; P65-Y68 VanDerWaalsContact O-CB 3.27Å; P65-Y68 WeakPolarHBondContact O-CB 3.12Å; P65-Y68 PolarHBondContact O-N 3.13Å
66K62.3Low63.3Low113 Ų11363 Ų6349%0.49130%0.296SS..G310 helixtrans-62.6-23.5179.172.7-171.1-164.4165.60114.6T27 L64 Y68T27-K66 VanDerWaalsContact C-NZ 3.33Å; T27-K66 WeakPolarHBondContact O-CE 3.47Å; T27-K66 PolarHBondContact O-NZ 2.94Å; L64-K66 HydrophobicContact CB-CD 4.38Å; L64-K66 HydrophobicContact CB-CG 3.94Å; L64-K66 HydrophobicContact CD2-CD 4.24Å; L64-K66 PolarHBondContact O-N 2.82Å; K66-Y68 PolarHBondContact O-N 3.26Å
67F62Low62.8Low25 Ų2565.6 Ų65.611%0.1131%0.314CS..G310 helixtrans-88.821.6174.3-62-80.5000112.1C26 V29 L63 L64 P65 Y69 F70 R71C26-F67 WeakPolarHBondContact O-CE2 2.99Å; V29-F67 HydrophobicContact CG2-CE1 4.08Å; L63-F67 HydrophobicContact CB-CB 4.1Å; L63-F67 HydrophobicContact CB-CD2 4.38Å; L63-F67 HydrophobicContact CD1-CB 4.07Å; L63-F67 HydrophobicContact CD2-CB 4.18Å; L63-F67 HydrophobicContact CD2-CD2 3.66Å; L63-F67 HydrophobicContact CD2-CE2 4.11Å; L63-F67 HydrophobicContact CD2-CG 3.9Å; L63-F67 HydrophobicContact CG-CB 4.39Å; L64-F67 HydrophobicContact CB-CD2 4.12Å; L64-F67 HydrophobicContact CB-CE2 4.46Å; L64-F67 PolarHBondContact O-N 3.2Å; P65-F67 PolarHBondContact O-N 2.9Å; F67-Y69 VanDerWaalsContact C-N 3.25Å; F67-Y69 PolarHBondContact O-N 2.95Å; F67-F70 HydrophobicContact CB-CB 4.28Å; F67-F70 WeakPolarHBondContact O-CB 3.29Å; F67-F70 PolarHBondContact O-N 3Å; F67-R71 WeakPolarHBondContact O-CG 3.25Å; F67-R71 PolarHBondContact O-N 3.14Å
68Y66.8Low62Low120 Ų12066.5 Ų66.547%0.47132%0.32SS..Hα-helixtrans-47-47.2179.2179.4-99.3000112.9P65 K66 F70 R71 Q72P65-Y68 VanDerWaalsContact O-CB 3.27Å; P65-Y68 WeakPolarHBondContact O-CB 3.12Å; P65-Y68 PolarHBondContact O-N 3.13Å; K66-Y68 PolarHBondContact O-N 3.26Å; Y68-F70 PolarHBondContact O-N 3.23Å; Y68-R71 WeakPolarHBondContact O-CB 2.96Å; Y68-R71 PolarHBondContact O-N 3.43Å; Y68-Q72 HydrophobicContact CD1-CG 4.12Å; Y68-Q72 HydrophobicContact CE1-CG 3.69Å; Y68-Q72 HydrophobicContact CE2-CG 4.13Å; Y68-Q72 WeakPolarHBondContact O-CG 3.3Å; Y68-Q72 PolarHBondContact O-N 3.4Å; Y68-Q72 PolarHBondContact OH-NE2 3.37Å
69Y62.2Low61Low162 Ų16265.8 Ų65.864%0.63532%0.322SS*.Hα-helixtrans-63.4-41.4179.1-65.4-71.8000112.7F67 R71 Q72 S73F67-Y69 VanDerWaalsContact C-N 3.25Å; F67-Y69 PolarHBondContact O-N 2.95Å; Y69-R71 VanDerWaalsContact C-N 3.34Å; Y69-Q72 PolarHBondContact O-N 3.06Å; Y69-S73 WeakPolarHBondContact O-CB 3.46Å; Y69-S73 PolarHBondContact O-N 3.17Å; Y69-S73 PolarHBondContact O-OG 3.4Å; Y69-S73 VanDerWaalsContact O-OG 3.06Å
70F63.4Low60.2Low39 Ų3974.3 Ų74.317%0.17136%0.359CS..Hα-helixtrans-62.8-42.9174.2-180-87.4000111.1F32 V60 L63 F67 Y68 Q72 S73 W74 F97F32-F70 AromaticContact CE1-CE1 3.89Å; F32-F70 HydrophobicContact CE1-CE1 3.89Å; F32-F70 HydrophobicContact CE1-CZ 4.06Å; F32-F70 HydrophobicContact CZ-CE1 4.47Å; V60-F70 HydrophobicContact CG1-CD1 4.35Å; V60-F70 HydrophobicContact CG1-CE1 4.37Å; V60-F70 HydrophobicContact CG2-CE1 3.91Å; L63-F70 HydrophobicContact CD1-CD1 3.32Å; L63-F70 HydrophobicContact CD1-CE1 3.57Å; L63-F70 HydrophobicContact CD1-CG 4.38Å; F67-F70 HydrophobicContact CB-CB 4.28Å; F67-F70 WeakPolarHBondContact O-CB 3.29Å; F67-F70 PolarHBondContact O-N 3Å; Y68-F70 PolarHBondContact O-N 3.23Å; F70-Q72 VanDerWaalsContact C-N 3.32Å; F70-Q72 PolarHBondContact O-N 3Å; F70-S73 PolarHBondContact O-N 2.97Å; F70-W74 VanDerWaalsContact O-CB 3.29Å; F70-W74 WeakPolarHBondContact O-CB 3.3Å; F70-W74 PolarHBondContact O-N 2.91Å; F70-F97 AromaticContact CD2-CE1 3.65Å; F70-F97 HydrophobicContact CD2-CE1 3.65Å; F70-F97 HydrophobicContact CD2-CZ 4.25Å; F70-F97 AromaticContact CE2-CD1 3.77Å; F70-F97 HydrophobicContact CE2-CD1 3.77Å; F70-F97 AromaticContact CE2-CE1 3.02Å; F70-F97 HydrophobicContact CE2-CE1 3.02Å; F70-F97 AromaticContact CE2-CZ 3.57Å; F70-F97 HydrophobicContact CE2-CZ 3.57Å; F70-F97 HydrophobicContact CZ-CD1 4.48Å; F70-F97 AromaticContact CZ-CE1 3.71Å; F70-F97 HydrophobicContact CZ-CE1 3.71Å; F70-F97 AromaticContact CZ-CZ 3.8Å; F70-F97 HydrophobicContact CZ-CZ 3.8Å
71R65.2Low59.2Low57 Ų5780.3 Ų80.322%0.21539%0.386CS..Hα-helixtrans-60.3-41.9175.5-65.1-166.2-70.6-167.35.7111.9V60 Q61 L63 F67 Y68 Y69 R75V60-R71 HydrophobicContact CG1-CB 4.1Å; V60-R71 HydrophobicContact CG1-CG 3.79Å; V60-R71 WeakPolarHBondContact O-CD 3.45Å; V60-R71 VanDerWaalsContact O-CG 3.25Å; V60-R71 WeakPolarHBondContact O-CG 3.4Å; Q61-R71 PolarHBondContact O-NH1 2.85Å; L63-R71 HydrophobicContact CB-CG 4.21Å; L63-R71 HydrophobicContact CD1-CG 4.11Å; L63-R71 PolarHBondContact O-NH1 3.49Å; F67-R71 WeakPolarHBondContact O-CG 3.25Å; F67-R71 PolarHBondContact O-N 3.14Å; Y68-R71 WeakPolarHBondContact O-CB 2.96Å; Y68-R71 PolarHBondContact O-N 3.43Å; Y69-R71 VanDerWaalsContact C-N 3.34Å; R71-R75 WeakPolarHBondContact O-CB 3.48Å; R71-R75 VanDerWaalsContact O-CG 3.24Å; R71-R75 WeakPolarHBondContact O-CG 3.37Å; R71-R75 PolarHBondContact O-N 2.68Å
72Q62.8Low58.4Low64 Ų6475.6 Ų75.630%0.29937%0.366SS..Hα-helixtrans-67.8-47.6175.9-68-58.6-24.400111.5Y68 Y69 F70 W74 R75 L76Y68-Q72 HydrophobicContact CD1-CG 4.12Å; Y68-Q72 HydrophobicContact CE1-CG 3.69Å; Y68-Q72 HydrophobicContact CE2-CG 4.13Å; Y68-Q72 WeakPolarHBondContact O-CG 3.3Å; Y68-Q72 PolarHBondContact O-N 3.4Å; Y68-Q72 PolarHBondContact OH-NE2 3.37Å; Y69-Q72 PolarHBondContact O-N 3.06Å; F70-Q72 VanDerWaalsContact C-N 3.32Å; F70-Q72 PolarHBondContact O-N 3Å; Q72-W74 VanDerWaalsContact C-N 3.27Å; Q72-W74 PolarHBondContact O-N 3.4Å; Q72-R75 PolarHBondContact O-N 3.06Å; Q72-R75 VanDerWaalsContact O-N 3.15Å; Q72-L76 WeakPolarHBondContact O-CB 3.38Å; Q72-L76 VanDerWaalsContact O-CG 3.25Å; Q72-L76 WeakPolarHBondContact O-CG 3.39Å; Q72-L76 PolarHBondContact O-N 3.33Å
73S59.5Low58Low44 Ų4480.6 Ų80.631%0.30839%0.385SS..Hα-helixtrans-58.7-38.8176.9-65.90000112.2Y69 F70 L76 S77Y69-S73 WeakPolarHBondContact O-CB 3.46Å; Y69-S73 PolarHBondContact O-N 3.17Å; Y69-S73 PolarHBondContact O-OG 3.4Å; Y69-S73 VanDerWaalsContact O-OG 3.06Å; F70-S73 PolarHBondContact O-N 2.97Å; S73-L76 PolarHBondContact O-N 2.81Å; S73-S77 WeakPolarHBondContact O-CB 3.27Å; S73-S77 PolarHBondContact O-N 2.98Å; S73-S77 PolarHBondContact O-OG 3.47Å
74W63.2Low57.4Low13 Ų1381.7 Ų81.75%0.04939%0.39CS..Hα-helixtrans-64.4-50.5173175.6-94.3000112.3V56 V60 F70 Q72 L76 S77 P79 A82 F97V56-W74 HydrophobicContact CB-CH2 3.35Å; V56-W74 HydrophobicContact CB-CZ2 3.51Å; V56-W74 HydrophobicContact CB-CZ3 4.36Å; V56-W74 HydrophobicContact CG1-CE3 4.29Å; V56-W74 HydrophobicContact CG1-CH2 2.98Å; V56-W74 HydrophobicContact CG1-CZ2 3.42Å; V56-W74 VanDerWaalsContact CG1-CZ2 3.42Å; V56-W74 HydrophobicContact CG1-CZ3 3.53Å; V56-W74 HydrophobicContact CG2-CH2 4.18Å; V60-W74 HydrophobicContact CB-CG 4.16Å; V60-W74 HydrophobicContact CG1-CB 3.83Å; V60-W74 HydrophobicContact CG1-CG 3.76Å; V60-W74 HydrophobicContact CG2-CB 4.33Å; V60-W74 HydrophobicContact CG2-CD2 3.71Å; V60-W74 HydrophobicContact CG2-CE3 4.21Å; V60-W74 HydrophobicContact CG2-CG 3.71Å; F70-W74 VanDerWaalsContact O-CB 3.29Å; F70-W74 WeakPolarHBondContact O-CB 3.3Å; F70-W74 PolarHBondContact O-N 2.91Å; Q72-W74 VanDerWaalsContact C-N 3.27Å; Q72-W74 PolarHBondContact O-N 3.4Å; W74-L76 PolarHBondContact O-N 2.71Å; W74-S77 PolarHBondContact O-N 3.18Å; W74-P79 HydrophobicContact CZ2-CB 4.35Å; W74-A82 HydrophobicContact CH2-CB 2.95Å; W74-A82 HydrophobicContact CZ2-CB 3.92Å; W74-A82 HydrophobicContact CZ3-CB 3.49Å; W74-A82 VanDerWaalsContact CZ3-CB 3.49Å; W74-F97 AromaticContact CE3-CE2 3.78Å; W74-F97 HydrophobicContact CE3-CE2 3.78Å; W74-F97 HydrophobicContact CE3-CZ 4.07Å; W74-F97 AromaticContact CZ3-CE2 3.96Å; W74-F97 HydrophobicContact CZ3-CE2 3.96Å
75R62.8Low57Low173 Ų17383.7 Ų83.765%0.65341%0.407SS*.Hα-helixtrans-56.6-38.8177-75.8177.574.6120.14.3111.5R71 Q72R71-R75 WeakPolarHBondContact O-CB 3.48Å; R71-R75 VanDerWaalsContact O-CG 3.24Å; R71-R75 WeakPolarHBondContact O-CG 3.37Å; R71-R75 PolarHBondContact O-N 2.68Å; Q72-R75 PolarHBondContact O-N 3.06Å; Q72-R75 VanDerWaalsContact O-N 3.15Å
76L58.8Low56.5Low143 Ų14382 Ų8275%0.74939%0.393SS*.Hα-helixtrans-78.3-34.1-179.9-68.8174.1000113.5Q72 S73 W74 A78Q72-L76 WeakPolarHBondContact O-CB 3.38Å; Q72-L76 VanDerWaalsContact O-CG 3.25Å; Q72-L76 WeakPolarHBondContact O-CG 3.39Å; Q72-L76 PolarHBondContact O-N 3.33Å; S73-L76 PolarHBondContact O-N 2.81Å; W74-L76 PolarHBondContact O-N 2.71Å; L76-A78 PolarHBondContact O-N 3.2Å; L76-A78 VanDerWaalsContact O-N 3.08Å
77S54.3Low55.7Low55 Ų5578.2 Ų78.239%0.38538%0.378SS..SBendtrans-72.9-0.2-178.2-61.90000113.5S73 W74S73-S77 WeakPolarHBondContact O-CB 3.27Å; S73-S77 PolarHBondContact O-N 2.98Å; S73-S77 PolarHBondContact O-OG 3.47Å; W74-S77 PolarHBondContact O-N 3.18Å
78A49.3Very low54.7Low35 Ų3578.6 Ų78.629%0.28938%0.384SS..  trans56.9130.1-170.300000111.7L76 K80L76-A78 PolarHBondContact O-N 3.2Å; L76-A78 VanDerWaalsContact O-N 3.08Å; A78-K80 HydrophobicContact CB-CB 4.17Å; A78-K80 HydrophobicContact CB-CD 4.21Å; A78-K80 HydrophobicContact CB-CG 4.02Å; A78-K80 PolarHBondContact O-N 3.37Å
79P47.1Very low53.6Low55 Ų5577.9 Ų77.936%0.35739%0.387SS..G310 helixtrans-56.6-9.7173.1-22.732.7000114.1A53 W74 F81 A82A53-P79 HydrophobicContact CB-CB 3.67Å; A53-P79 WeakPolarHBondContact CB-O 3.48Å; W74-P79 HydrophobicContact CZ2-CB 4.35Å; P79-F81 PolarHBondContact O-N 3Å; P79-A82 PolarHBondContact O-N 3.49Å
80K48.7Very low52.5Low179 Ų17976.5 Ų76.578%0.77840%0.396SS*.G310 helixtrans-49.7-20.5-178-71.4-176.1177.3-179.20115.5A78A78-K80 HydrophobicContact CB-CB 4.17Å; A78-K80 HydrophobicContact CB-CD 4.21Å; A78-K80 HydrophobicContact CB-CG 4.02Å; A78-K80 PolarHBondContact O-N 3.37Å
81F44.5Very low51.1Low130 Ų13076.3 Ų76.357%0.5741%0.405SS*.G310 helixtrans-119.5-3.5-172.9-65.6-71.8000115.3P79 K83P79-F81 PolarHBondContact O-N 3Å; F81-K83 PolarHBondContact O-N 3.03Å; F81-K83 VanDerWaalsContact O-N 3.13Å
82A47.6Very low49.4Very low16 Ų1679.7 Ų79.713%0.13243%0.432CS..  trans-90.191.4-178.700000109.5D52 W74 P79D52-A82 WeakPolarHBondContact CB-O 3.42Å; W74-A82 HydrophobicContact CH2-CB 2.95Å; W74-A82 HydrophobicContact CZ2-CB 3.92Å; W74-A82 HydrophobicContact CZ3-CB 3.49Å; W74-A82 VanDerWaalsContact CZ3-CB 3.49Å; P79-A82 PolarHBondContact O-N 3.49Å
83K53Low47.9Very low134 Ų13478.3 Ų78.358%0.58343%0.428SS*.  trans-74.4147.1160.3-66.7-179.2176.2-179.30107.7D52 F81 S85 D86D52-K83 VanDerWaalsContact OD2-CA 3.3Å; D52-K83 WeakPolarHBondContact OD2-CA 3.22Å; F81-K83 PolarHBondContact O-N 3.03Å; F81-K83 VanDerWaalsContact O-N 3.13Å; K83-S85 WeakPolarHBondContact CB-OG 3.28Å; K83-S85 PolarHBondContact O-N 3.08Å; K83-S85 VanDerWaalsContact O-N 3.16Å; K83-D86 PolarHBondContact N-OD2 2.96Å; K83-D86 VanDerWaalsContact N-OD2 3.1Å; K83-D86 WeakPolarHBondContact O-CB 3.41Å; K83-D86 PolarHBondContact O-N 2.72Å
84L51Low46.5Very low27 Ų2778 Ų7814%0.14143%0.432CS..G310 helixtrans-57.9-29.1173.9-76.4173.4000111.6V40 D52 I55 V56 D86 L87 S88V40-L84 HydrophobicContact CB-CD2 4.44Å; V40-L84 HydrophobicContact CG1-CD1 3.74Å; V40-L84 HydrophobicContact CG1-CD2 4.15Å; V40-L84 HydrophobicContact CG1-CG 4.44Å; V40-L84 HydrophobicContact CG2-CD1 4.29Å; V40-L84 HydrophobicContact CG2-CD2 3.41Å; V40-L84 VanDerWaalsContact CG2-CD2 3.41Å; V40-L84 HydrophobicContact CG2-CG 4.47Å; D52-L84 HydrophobicContact CB-CD1 4.48Å; D52-L84 HydrophobicContact CB-CG 3.91Å; D52-L84 VanDerWaalsContact OD1-CD1 3.25Å; D52-L84 WeakPolarHBondContact OD1-CD1 3.32Å; D52-L84 WeakPolarHBondContact OD1-CG 3.23Å; D52-L84 PolarHBondContact OD2-N 3.29Å; I55-L84 HydrophobicContact CB-CD2 4.48Å; I55-L84 HydrophobicContact CD1-CD1 3.82Å; I55-L84 HydrophobicContact CG2-CD2 4.03Å; V56-L84 HydrophobicContact CG2-CD2 3.95Å; L84-D86 PolarHBondContact O-N 3.45Å; L84-L87 HydrophobicContact CD2-CD1 4.45Å; L84-L87 PolarHBondContact O-N 3.43Å; L84-S88 PolarHBondContact O-N 2.92Å
85S50.3Low45Very low75 Ų7579.9 Ų79.952%0.52445%0.45SS..G310 helixtrans-57.2-30.9171.554.50000113.3K83 L87 S88K83-S85 WeakPolarHBondContact CB-OG 3.28Å; K83-S85 PolarHBondContact O-N 3.08Å; K83-S85 VanDerWaalsContact O-N 3.16Å; S85-L87 PolarHBondContact O-N 3.32Å; S85-S88 PolarHBondContact O-N 3.3Å
86D51.2Low43.4Very low63 Ų6374.2 Ų74.234%0.33744%0.44SS..G310 helixtrans-76.8-10.8178-57-40.4000112.7K83 L84 V93K83-D86 PolarHBondContact N-OD2 2.96Å; K83-D86 VanDerWaalsContact N-OD2 3.1Å; K83-D86 WeakPolarHBondContact O-CB 3.41Å; K83-D86 PolarHBondContact O-N 2.72Å; L84-D86 PolarHBondContact O-N 3.45Å; D86-V93 HydrophobicContact CB-CG1 3.99Å; D86-V93 WeakPolarHBondContact O-CB 3.02Å; D86-V93 WeakPolarHBondContact O-CG1 3.14Å
87L46.4Very low42.1Very low33 Ų3371.3 Ų71.317%0.17342%0.422CS..G310 helixtrans-100.4-3.8176-70.8167.6000112.8L36 V56 L84 S85 L89L36-L87 HydrophobicContact CD1-CD1 4.41Å; V56-L87 HydrophobicContact CB-CD1 4.19Å; V56-L87 HydrophobicContact CG1-CD1 3.77Å; V56-L87 HydrophobicContact CG2-CD1 3.27Å; L84-L87 HydrophobicContact CD2-CD1 4.45Å; L84-L87 PolarHBondContact O-N 3.43Å; S85-L87 PolarHBondContact O-N 3.32Å; L87-L89 PolarHBondContact O-N 3.2Å
88S40.6Very low41.2Very low34 Ų3472.1 Ų72.124%0.23842%0.424CS..  trans-66.9111.4-179.6-160.20000110.5L84 S85 T90 G91L84-S88 PolarHBondContact O-N 2.92Å; S85-S88 PolarHBondContact O-N 3.3Å; S88-T90 PolarHBondContact O-N 3.23Å; S88-T90 VanDerWaalsContact O-N 3.12Å; S88-T90 PolarHBondContact OG-OG1 3.36Å; S88-G91 PolarHBondContact O-N 3.12Å
89L43.4Very low40.3Very low104 Ų10478.2 Ų78.255%0.54545%0.447SS..THydrogen-bonded Turntrans-62.4-11.9170.5-107.6160.6000112.6I33 L87 G91I33-L89 HydrophobicContact CB-CD1 3.93Å; I33-L89 HydrophobicContact CG2-CD1 3.46Å; I33-L89 VanDerWaalsContact CG2-CD1 3.46Å; I33-L89 HydrophobicContact CG2-CG 3.92Å; L87-L89 PolarHBondContact O-N 3.2Å; L89-G91 PolarHBondContact O-N 2.63Å
90T39.7Very low39.5Very low134 Ų13483.3 Ų83.382%0.82246%0.459SS*.THydrogen-bonded Turntrans-70.5-10.8174.855.20000113.6S88S88-T90 PolarHBondContact O-N 3.23Å; S88-T90 VanDerWaalsContact O-N 3.12Å; S88-T90 PolarHBondContact OG-OG1 3.36Å
91G32.9Very low38.8Very low34 Ų3483.5 Ų83.535%0.35146%0.46SS..THydrogen-bonded Turntrans-153.193.1176.200000113.4S88 L89 V93S88-G91 PolarHBondContact O-N 3.12Å; L89-G91 PolarHBondContact O-N 2.63Å; G91-V93 WeakPolarHBondContact O-CG2 3.47Å; G91-V93 PolarHBondContact O-N 2.65Å
92T30.7Very low38.2Very low128 Ų12881.7 Ų81.779%0.78546%0.461SS*.THydrogen-bonded Turntrans58.2-13.8151.1-42.90000119G94 A95T92-G94 VanDerWaalsContact C-N 3.27Å; T92-G94 PolarHBondContact O-N 2.72Å; T92-A95 VanDerWaalsContact O-CB 3.31Å; T92-A95 WeakPolarHBondContact O-CB 3.48Å; T92-A95 PolarHBondContact O-N 3.17Å
93V30.8Very low37.6Very low35 Ų3592.3 Ų92.321%0.21250%0.498CS..Hα-helixtrans-79.3-12.4-171.4-156.50000112.6D86 G91 A95 A96 F97D86-V93 HydrophobicContact CB-CG1 3.99Å; D86-V93 WeakPolarHBondContact O-CB 3.02Å; D86-V93 WeakPolarHBondContact O-CG1 3.14Å; G91-V93 WeakPolarHBondContact O-CG2 3.47Å; G91-V93 PolarHBondContact O-N 2.65Å; V93-A95 PolarHBondContact O-N 2.89Å; V93-A95 VanDerWaalsContact O-N 3.08Å; V93-A96 HydrophobicContact CG1-CB 3.7Å; V93-A96 PolarHBondContact O-N 3.41Å; V93-F97 PolarHBondContact O-N 3.29Å
94G30.2Very low36.7Very low38 Ų3891.6 Ų91.639%0.39251%0.509SS..Hα-helixtrans-48.2-33.916000000111.4T92 V98T92-G94 VanDerWaalsContact C-N 3.27Å; T92-G94 PolarHBondContact O-N 2.72Å; G94-V98 WeakPolarHBondContact O-CB 2.92Å; G94-V98 WeakPolarHBondContact O-CG2 3.16Å; G94-V98 PolarHBondContact O-N 2.98Å
95A31.5Very low36Very low53 Ų5394.6 Ų94.644%0.43853%0.533SS..Hα-helixtrans-77.1-40.7172.900000113.4T92 V93 F97 V98 E99T92-A95 VanDerWaalsContact O-CB 3.31Å; T92-A95 WeakPolarHBondContact O-CB 3.48Å; T92-A95 PolarHBondContact O-N 3.17Å; V93-A95 PolarHBondContact O-N 2.89Å; V93-A95 VanDerWaalsContact O-N 3.08Å; A95-F97 PolarHBondContact O-N 3.02Å; A95-V98 CarbonylContact O-C 3.44Å; A95-V98 WeakPolarHBondContact O-CA 3.42Å; A95-V98 WeakPolarHBondContact O-CB 3.32Å; A95-V98 PolarHBondContact O-N 2.77Å; A95-V98 VanDerWaalsContact O-N 3.09Å; A95-E99 WeakPolarHBondContact O-CB 3.4Å; A95-E99 PolarHBondContact O-N 2.78Å
96A29.8Very low35.4Very low54 Ų5497 Ų9745%0.44655%0.55SS..Hα-helixtrans-72-32.7-174.600000113.5V93 V98V93-A96 HydrophobicContact CG1-CB 3.7Å; V93-A96 PolarHBondContact O-N 3.41Å; A96-V98 VanDerWaalsContact C-N 3.34Å
97F31.7Very low34.7Very low81 Ų8199.6 Ų99.636%0.35556%0.561SS.*Hα-helixtrans-70.9-34.2168.5-166.7-83.6000111F70 W74 V93 A95F70-F97 AromaticContact CD2-CE1 3.65Å; F70-F97 HydrophobicContact CD2-CE1 3.65Å; F70-F97 HydrophobicContact CD2-CZ 4.25Å; F70-F97 AromaticContact CE2-CD1 3.77Å; F70-F97 HydrophobicContact CE2-CD1 3.77Å; F70-F97 AromaticContact CE2-CE1 3.02Å; F70-F97 HydrophobicContact CE2-CE1 3.02Å; F70-F97 AromaticContact CE2-CZ 3.57Å; F70-F97 HydrophobicContact CE2-CZ 3.57Å; F70-F97 HydrophobicContact CZ-CD1 4.48Å; F70-F97 AromaticContact CZ-CE1 3.71Å; F70-F97 HydrophobicContact CZ-CE1 3.71Å; F70-F97 AromaticContact CZ-CZ 3.8Å; F70-F97 HydrophobicContact CZ-CZ 3.8Å; W74-F97 AromaticContact CE3-CE2 3.78Å; W74-F97 HydrophobicContact CE3-CE2 3.78Å; W74-F97 HydrophobicContact CE3-CZ 4.07Å; W74-F97 AromaticContact CZ3-CE2 3.96Å; W74-F97 HydrophobicContact CZ3-CE2 3.96Å; V93-F97 PolarHBondContact O-N 3.29Å; A95-F97 PolarHBondContact O-N 3.02Å
98V35.8Very low34.4Very low72 Ų72103.1 Ų103.144%0.43658%0.58SS.*Hα-helixtrans-67.6-30.8175.6158.30000112.8G94 A95 A96 W119G94-V98 WeakPolarHBondContact O-CB 2.92Å; G94-V98 WeakPolarHBondContact O-CG2 3.16Å; G94-V98 PolarHBondContact O-N 2.98Å; A95-V98 CarbonylContact O-C 3.44Å; A95-V98 WeakPolarHBondContact O-CA 3.42Å; A95-V98 WeakPolarHBondContact O-CB 3.32Å; A95-V98 PolarHBondContact O-N 2.77Å; A95-V98 VanDerWaalsContact O-N 3.09Å; A96-V98 VanDerWaalsContact C-N 3.34Å; V98-W119 HydrophobicContact CB-CZ2 4.34Å; V98-W119 HydrophobicContact CG1-CH2 3.51Å; V98-W119 HydrophobicContact CG1-CZ2 3.5Å; V98-W119 HydrophobicContact CG1-CZ3 4.43Å; V98-W119 HydrophobicContact CG2-CZ2 3.82Å
99E29.7Very low34.5Very low164 Ų164105.3 Ų105.377%0.76660%0.6SS**Hα-helixtrans-91.6-6.1-172.7-133.6-170.2159.800114.8A95 K101A95-E99 WeakPolarHBondContact O-CB 3.4Å; A95-E99 PolarHBondContact O-N 2.78Å; E99-K101 PolarHBondContact O-N 3.09Å
100R29.9Very low34.4Very low162 Ų162108.4 Ų108.461%0.61161%0.609SS**  trans-76.471.1168.4-73.9-165.4-164.4158.68.1110.5P102R100-P102 WeakPolarHBondContact O-CD 3.31Å
101K33.7Very low34.4Very low183 Ų183106.1 Ų106.180%0.79659%0.592SS**  trans-47.1120.9160-174.2171.8-179.8178.30107.5E99 R103E99-K101 PolarHBondContact O-N 3.09Å; K101-R103 PolarHBondContact O-N 3.45Å
102P32.3Very low34.5Very low91 Ų91107.4 Ų107.459%0.59160%0.599SS**  trans-51.9117.3174.2-23.831.9000108.3R100 S104R100-P102 WeakPolarHBondContact O-CD 3.31Å; P102-S104 PolarHBondContact O-N 2.98Å
103R35.2Very low34.6Very low240 Ų240105.4 Ų105.491%0.90659%0.589SS**SBendtrans-58.5114.9166.9-88.7-177-174148.21.5106K101K101-R103 PolarHBondContact O-N 3.45Å
104S33.6Very low34.7Very low118 Ų118112.6 Ų112.683%0.82561%0.613SS**  trans48.676.7161.562.50000115.5P102P102-S104 PolarHBondContact O-N 2.98Å
105S36.8Very low34.7Very low91 Ų91119.2 Ų119.264%0.63663%0.627SS**  trans-107.7125.7137.2-171.20000105.7M107S105-M107 PolarHBondContact O-N 2.7Å
106S36.9Very low34.7Very low126 Ų126123.3 Ų123.388%0.88164%0.635SS**  trans-63.973.8-177.859.70000110.5N108S106-N108 PolarHBondContact O-N 3.44Å
107M36.4Very low34.9Very low117 Ų117126.4 Ų126.458%0.57664%0.644SS**  trans-83114.4173.1-80.5176.311100108.2S105 A109 N111S105-M107 PolarHBondContact O-N 2.7Å; M107-A109 PolarHBondContact O-N 3.47Å; M107-N111 HydrophobicContact CE-CB 4.37Å
108N39.9Very low35.1Very low107 Ų107128.8 Ų128.857%0.57266%0.659SS**  trans-39.4132.3167.9175.6-34.9000110.7S106 K110 N111S106-N108 PolarHBondContact O-N 3.44Å; N108-K110 PolarHBondContact O-N 3.29Å; N108-K110 PolarHBondContact OD1-N 3.34Å; N108-N111 PolarHBondContact O-N 3.35Å
109A43.1Very low35Very low79 Ų79130.4 Ų130.465%0.65366%0.657SS**Hα-helixtrans-45.2-28.7-176.900000114.5M107 N111 A112M107-A109 PolarHBondContact O-N 3.47Å; A109-N111 VanDerWaalsContact C-N 3.28Å; A109-N111 PolarHBondContact O-N 3.38Å; A109-A112 PolarHBondContact O-N 3.4Å
110K42.1Very low35.1Very low170 Ų170129.3 Ų129.374%0.73965%0.647SS**Hα-helixtrans-61.5-29.5177.1-70-174.2176.9-175.90114.2N108N108-K110 PolarHBondContact O-N 3.29Å; N108-K110 PolarHBondContact OD1-N 3.34Å
111N40.3Very low35.2Very low86 Ų86124.5 Ų124.546%0.4664%0.642SS.*Hα-helixtrans-87.2-24.3179.1-70.8-15.9000113M107 N108 A109 C113 R114 Y115M107-N111 HydrophobicContact CE-CB 4.37Å; N108-N111 PolarHBondContact O-N 3.35Å; A109-N111 VanDerWaalsContact C-N 3.28Å; A109-N111 PolarHBondContact O-N 3.38Å; N111-C113 VanDerWaalsContact C-N 3.32Å; N111-C113 PolarHBondContact O-N 3.44Å; N111-R114 PolarHBondContact O-N 3.2Å; N111-Y115 PolarHBondContact O-N 3.4Å
112A34.6Very low35.1Very low60 Ų60117.9 Ų117.950%0.49663%0.625SS.*Hα-helixtrans-64.1-38.1177.100000111.8A109 R114 Y115A109-A112 PolarHBondContact O-N 3.4Å; A112-R114 VanDerWaalsContact C-N 3.33Å; A112-R114 PolarHBondContact O-N 3.27Å; A112-Y115 PolarHBondContact O-N 3.42Å
113C32.6Very low35.1Very low87 Ų87118 Ų11859%0.58862%0.621SS**Hα-helixtrans-65-32.7177.5-82.30000113.4N111 Y115 N117N111-C113 VanDerWaalsContact C-N 3.32Å; N111-C113 PolarHBondContact O-N 3.44Å; C113-Y115 VanDerWaalsContact C-N 3.35Å; C113-N117 PolarHBondContact O-N 3.25Å
114R32.1Very low35Very low186 Ų186109.5 Ų109.570%0.70260%0.601SS**Hα-helixtrans-70.3-32.8177-69.6-163.7-169.2-172.34.5112.6N111 A112 N117 I118N111-R114 PolarHBondContact O-N 3.2Å; A112-R114 VanDerWaalsContact C-N 3.33Å; A112-R114 PolarHBondContact O-N 3.27Å; R114-N117 PolarHBondContact O-N 3.38Å; R114-I118 WeakPolarHBondContact O-CG1 3.4Å; R114-I118 PolarHBondContact O-N 3.41Å; R114-I118 VanDerWaalsContact O-N 3.15Å
115Y30Very low35.1Very low177 Ų177112 Ų11269%0.69460%0.597SS**Hα-helixtrans-66.4-41-179-155.5-91.4000111.9N111 A112 C113 W119N111-Y115 PolarHBondContact O-N 3.4Å; A112-Y115 PolarHBondContact O-N 3.42Å; C113-Y115 VanDerWaalsContact C-N 3.35Å; Y115-W119 WeakPolarHBondContact O-CB 3.44Å; Y115-W119 PolarHBondContact O-N 3.27Å
116K32.8Very low35.1Very low138 Ų138113.5 Ų113.560%0.659%0.594SS**Hα-helixtrans-63.5-45.5174.6-83.5-174.2173.5-178.40111.6I118 W119 Y120K116-I118 PolarHBondContact O-N 2.92Å; K116-W119 PolarHBondContact O-N 3.31Å; K116-Y120 HydrophobicContact CB-CD2 4.31Å; K116-Y120 HydrophobicContact CB-CE2 4.43Å; K116-Y120 HydrophobicContact CG-CE2 4.26Å; K116-Y120 VanDerWaalsContact O-CD2 3.26Å; K116-Y120 WeakPolarHBondContact O-CD2 3.26Å; K116-Y120 PolarHBondContact O-N 3.43Å
117N33.1Very low35Very low119 Ų119117.6 Ų117.664%0.63659%0.59SS**Hα-helixtrans-70.5-36.4-172.8-68.4-13.6000113.6C113 R114 W119 A121C113-N117 PolarHBondContact O-N 3.25Å; R114-N117 PolarHBondContact O-N 3.38Å; N117-W119 VanDerWaalsContact C-N 3.35Å; N117-A121 WeakPolarHBondContact O-CB 3.42Å; N117-A121 PolarHBondContact O-N 3.02Å
118I36.5Very low34.9Very low131 Ų131117 Ų11767%0.67260%0.598SS**Hα-helixtrans-71.2-34.8177.4-62.5171.3000110.7R114 K116 G122R114-I118 WeakPolarHBondContact O-CG1 3.4Å; R114-I118 PolarHBondContact O-N 3.41Å; R114-I118 VanDerWaalsContact O-N 3.15Å; K116-I118 PolarHBondContact O-N 2.92Å; I118-G122 PolarHBondContact O-N 2.87Å
119W33.3Very low34.8Very low107 Ų107120.7 Ų120.741%0.40561%0.611SS.*Hα-helixtrans-82.3-41.2-173.7-162.668.2000113.2V98 Y115 K116 N117 A121 G122 I123V98-W119 HydrophobicContact CB-CZ2 4.34Å; V98-W119 HydrophobicContact CG1-CH2 3.51Å; V98-W119 HydrophobicContact CG1-CZ2 3.5Å; V98-W119 HydrophobicContact CG1-CZ3 4.43Å; V98-W119 HydrophobicContact CG2-CZ2 3.82Å; Y115-W119 WeakPolarHBondContact O-CB 3.44Å; Y115-W119 PolarHBondContact O-N 3.27Å; K116-W119 PolarHBondContact O-N 3.31Å; N117-W119 VanDerWaalsContact C-N 3.35Å; W119-A121 VanDerWaalsContact C-N 3.29Å; W119-A121 PolarHBondContact O-N 3.46Å; W119-G122 PolarHBondContact O-N 3.15Å; W119-I123 PolarHBondContact O-N 3.42Å
120Y31.9Very low34.2Very low141 Ų141120.3 Ų120.355%0.55360%0.604SS**Hα-helixtrans-65.9-30.8172.5-77.3-72.1000112.4K116 G122 I123 A124K116-Y120 HydrophobicContact CB-CD2 4.31Å; K116-Y120 HydrophobicContact CB-CE2 4.43Å; K116-Y120 HydrophobicContact CG-CE2 4.26Å; K116-Y120 VanDerWaalsContact O-CD2 3.26Å; K116-Y120 WeakPolarHBondContact O-CD2 3.26Å; K116-Y120 PolarHBondContact O-N 3.43Å; Y120-G122 VanDerWaalsContact C-N 3.29Å; Y120-G122 PolarHBondContact O-N 3.38Å; Y120-I123 PolarHBondContact O-N 3.39Å; Y120-A124 WeakPolarHBondContact O-CB 3.33Å; Y120-A124 PolarHBondContact O-N 3.47Å
121A31.6Very low33.8Very low60 Ų60121.4 Ų121.450%0.49661%0.611SS.*Hα-helixtrans-64.4-33.3174.500000112.7N117 W119 K125N117-A121 WeakPolarHBondContact O-CB 3.42Å; N117-A121 PolarHBondContact O-N 3.02Å; W119-A121 VanDerWaalsContact C-N 3.29Å; W119-A121 PolarHBondContact O-N 3.46Å; A121-K125 WeakPolarHBondContact O-CB 3.09Å; A121-K125 PolarHBondContact O-N 3.29Å
122G31.2Very low33.4Very low44 Ų44120.7 Ų120.745%0.45462%0.624SS.*Hα-helixtrans-67.8-44.8176.800000112.9I118 W119 Y120I118-G122 PolarHBondContact O-N 2.87Å; W119-G122 PolarHBondContact O-N 3.15Å; Y120-G122 VanDerWaalsContact C-N 3.29Å; Y120-G122 PolarHBondContact O-N 3.38Å
123I32.7Very low33.1Very low95 Ų95125.5 Ų125.549%0.48764%0.639SS.*Hα-helixtrans-79.8-35.5-179.1-54.2-62.7000111.7W119 Y120 K125 E126W119-I123 PolarHBondContact O-N 3.42Å; Y120-I123 PolarHBondContact O-N 3.39Å; I123-K125 VanDerWaalsContact C-N 3.31Å; I123-K125 PolarHBondContact O-N 3.49Å; I123-E126 PolarHBondContact O-N 3.02Å
124A33.9Very low33Very low61 Ų61127 Ų12750%0.50465%0.648SS.*Hα-helixtrans-68.9-28.517900000112.6Y120 E126 R127Y120-A124 WeakPolarHBondContact O-CB 3.33Å; Y120-A124 PolarHBondContact O-N 3.47Å; A124-E126 VanDerWaalsContact C-N 3.25Å; A124-E126 PolarHBondContact O-N 2.83Å; A124-R127 PolarHBondContact O-N 3.35Å
125K35.7Very low33.1Very low170 Ų170125.9 Ų125.974%0.73965%0.65SS**Hα-helixtrans-67.4-26.5176.1-164.474.2-179.1-1800112.5A121 I123A121-K125 WeakPolarHBondContact O-CB 3.09Å; A121-K125 PolarHBondContact O-N 3.29Å; I123-K125 VanDerWaalsContact C-N 3.31Å; I123-K125 PolarHBondContact O-N 3.49Å
126E37.1Very low33.3Very low122 Ų122126 Ų12657%0.5766%0.657SS**Hα-helixtrans-80.5-22.2178.8-76.6-176.8147.600113.3I123 A124 S128I123-E126 PolarHBondContact O-N 3.02Å; A124-E126 VanDerWaalsContact C-N 3.25Å; A124-E126 PolarHBondContact O-N 2.83Å; E126-S128 VanDerWaalsContact C-N 3.33Å; E126-S128 PolarHBondContact O-N 3.38Å
127R33.4Very low33.1Very low212 Ų212125.6 Ų125.680%0.867%0.667SS**THydrogen-bonded Turntrans-81.5-7.6-179.1-137.3177.4-162.2175.24.7114.9A124A124-R127 PolarHBondContact O-N 3.35Å
128S34.1Very low33.2Very low104 Ų104126 Ų12673%0.72767%0.673SS**THydrogen-bonded Turntrans-87.7-0.3178.6-58.10000114.7E126E126-S128 VanDerWaalsContact C-N 3.33Å; E126-S128 PolarHBondContact O-N 3.38Å
129H38.2Very low32.9Very low185 Ų185127.5 Ų127.586%0.85668%0.677SS**SBendtrans-1110.8178.2-106.296.8000115.5
130S31.8Very low32.7Very low72 Ų72125.5 Ų125.550%0.50369%0.689SS.*SBendtrans-144.4117.4174.460.80000110.8
131E33.7Very low32.6Very low192 Ų192129.1 Ų129.190%0.89770%0.704SS**  trans85.8129.9160.7-56.1-179.1126.800117.5
132G30.2Very low32.5Very low71 Ų71129.5 Ų129.573%0.73271%0.713SS**  trans-67.1152.7-172.700000113.5
133M28.6Very low32.5Very low161 Ų161133.2 Ų133.279%0.79373%0.731SS**  trans-37.5135.2171.8-70.5-87.9-155.900113.6Q135M133-Q135 HydrophobicContact SD-CG 4.08Å
134P32Very low32.6Very low120 Ų120135.1 Ų135.178%0.77975%0.747SS**  -119.8129.9109.48.88.7000110.2Q136P134-Q136 PolarHBondContact O-N 3.08Å
135Q32.7Very low32.8Very low161 Ų161141.3 Ų141.375%0.75277%0.766SS**  trans-58.996.9176.7-61.6176.84.500110.2M133 T137M133-Q135 HydrophobicContact SD-CG 4.08Å; Q135-T137 PolarHBondContact O-N 2.89Å
136Q33.8Very low32.5Very low179 Ų179139.4 Ų139.484%0.83677%0.774SS**  trans-91.696.8159.2-80.5-171.4-11.900108P134 V138P134-Q136 PolarHBondContact O-N 3.08Å; Q136-V138 VanDerWaalsContact C-N 3.3Å; Q136-V138 PolarHBondContact O-N 2.93Å
137T29.8Very low32.4Very low131 Ų131136.6 Ų136.680%0.80478%0.778SS**  trans-54.690.5165.6-550000108.9Q135 H139Q135-T137 PolarHBondContact O-N 2.89Å; T137-H139 PolarHBondContact O-N 2.97Å; T137-H139 VanDerWaalsContact O-N 3.15Å
138V35.5Very low32.5Very low127 Ų127140.2 Ų140.277%0.7780%0.799SS**  trans-78.3103.8171-174.80000107Q136 G140Q136-V138 VanDerWaalsContact C-N 3.3Å; Q136-V138 PolarHBondContact O-N 2.93Å; V138-G140 PolarHBondContact O-N 2.96Å; V138-G140 VanDerWaalsContact O-N 3.09Å
139H28.8Very low32.4Very low163 Ų163142 Ų14276%0.75580%0.803SS**  trans-43.7112.5169.6-144.9130.4000109T137 Y141T137-H139 PolarHBondContact O-N 2.97Å; T137-H139 VanDerWaalsContact O-N 3.15Å; H139-Y141 PolarHBondContact O-N 3.09Å
140G30.8Very low32.1Very low65 Ų65139.7 Ų139.767%0.6780%0.8SS**  trans-62.9110.5177.400000109.5V138 G142V138-G140 PolarHBondContact O-N 2.96Å; V138-G140 VanDerWaalsContact O-N 3.09Å; G140-G142 PolarHBondContact O-N 3.01Å
141Y29.4Very low32.1Very low217 Ų217143.5 Ų143.585%0.85182%0.817SS**  trans-68.299.9166.4-80.6-89.3000107.9H139 C143H139-Y141 PolarHBondContact O-N 3.09Å; Y141-C143 PolarHBondContact O-N 3.13Å; Y141-C143 VanDerWaalsContact O-N 3.08Å
142G29.4Very low32.1Very low68 Ų68140.6 Ų140.670%0.70181%0.812SS**  trans-55.4112.3167.500000109.1G140 T144G140-G142 PolarHBondContact O-N 3.01Å; G142-T144 PolarHBondContact O-N 3.07Å; G142-T144 VanDerWaalsContact O-N 3.13Å
143C31.1Very low32.2Very low122 Ų122145 Ų14582%0.82482%0.817SS**  trans-72.899.7163.4-720000106.2Y141 E145Y141-C143 PolarHBondContact O-N 3.13Å; Y141-C143 VanDerWaalsContact O-N 3.08Å; C143-E145 PolarHBondContact O-N 3.09Å; C143-E145 VanDerWaalsContact O-N 3.09Å
144T35.5Very low32.4Very low135 Ų135143.9 Ų143.983%0.82882%0.818SS**  trans-62.8109.4168.438.70000108.1G142 S146G142-T144 PolarHBondContact O-N 3.07Å; G142-T144 VanDerWaalsContact O-N 3.13Å; T144-S146 VanDerWaalsContact C-N 3.34Å; T144-S146 PolarHBondContact O-N 3.15Å
145E37.6Very low32.4Very low190 Ų190145.6 Ų145.689%0.88882%0.821SS**  trans-6496.7166.3-72.1-174.4136.600107.7C143 G147C143-E145 PolarHBondContact O-N 3.09Å; C143-E145 VanDerWaalsContact O-N 3.09Å; E145-G147 PolarHBondContact O-N 3.48Å
146S29.7Very low32.4Very low130 Ų130144.5 Ų144.591%0.90983%0.826SS**  trans-73.586.1163.9-171.40000107.2T144T144-S146 VanDerWaalsContact C-N 3.34Å; T144-S146 PolarHBondContact O-N 3.15Å
147G34.4Very low32.3Very low64 Ų64141.6 Ų141.666%0.6683%0.826SS**  trans-116.3100.6177.100000110.4E145E145-G147 PolarHBondContact O-N 3.48Å
148K35.7Very low32.5Very low287 Ų287142.5 Ų142.5100%1.24883%0.828SS**  trans720170.2-89.1177.6171-179.50118.5

Retrieved 148 of 148 residues in 586.3 ms (Link to these results)

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